[Scop | Full Entry | Seq (local cached copy) | More Options ]
HEADER HYDROLASE 16-MAY-06 2CMY TITLE CRYSTAL COMPLEX BETWEEN BOVINE TRYPSIN AND VERONICA TITLE 2 HEDERIFOLIA TRYPSIN INHIBITOR COMPND MOL_ID: 1; COMPND 2 MOLECULE: CATIONIC TRYPSIN; COMPND 3 SYNONYM: BETA TRYPSIN; COMPND 4 CHAIN: A; COMPND 5 EC: 3.4.21.4; COMPND 6 OTHER_DETAILS: ESTER BOND BETWEEN SER 195 AND INHIBITOR COMPND 7 (CHAIN B, RESIDUE ARG15); COMPND 8 MOL_ID: 2; COMPND 9 MOLECULE: VERONICA HEDERIFOLIA TRYPSIN INHIBITOR; COMPND 10 CHAIN: B; COMPND 11 OTHER_DETAILS: ESTER LINK BETWEEN ARG 15 OF INHIBITOR AND COMPND 12 SER 195 OF TRYPSIN SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: BOVINE; SOURCE 4 ORGAN: PANCREAS; SOURCE 5 OTHER_DETAILS: PURIFIED PROTEIN OBTAINED FROM SIGMA; SOURCE 6 MOL_ID: 2; SOURCE 7 ORGANISM_SCIENTIFIC: VERONICA HEDERIFOLIA; SOURCE 8 ORGANISM_COMMON: IVYLEAF SPEEDWELL; SOURCE 9 TISSUE: SEED; SOURCE 10 OTHER_DETAILS: ISOLATED FROM SEEDS KEYWDS ACYL-ENZYME INTERMEDIATE, SERINE PROTEASE INHIBITOR, KEYWDS 2 CALCIUM, ZYMOGEN, PROTEASE, DIGESTION, HYDROLASE, KEYWDS 3 METAL-BINDING, SERINE PROTEASE EXPDTA X-RAY DIFFRACTION AUTHOR R.CONNERS,J.L.YARDLEY,A.KONAREV,P.SHEWRY,R.L.BRADY REVDAT 2 25-SEP-07 2CMY 1 JRNL REVDAT 1 22-MAY-07 2CMY 0 JRNL AUTH R.CONNERS,A.KONAREV,J.FORSYTH,A.LOVEGROVE, JRNL AUTH 2 J.MARSH,T.JOSEPH-HORNE,P.SHEWRY,R.L.BRADY JRNL TITL AN UNUSUAL HELIX-TURN-HELIX PROTEASE INHIBITORY JRNL TITL 2 MOTIF IN A NOVEL TRYPSIN INHIBITOR FROM SEEDS OF JRNL TITL 3 VERONICA (VERONICA HEDERIFOLIA L.). JRNL REF J.BIOL.CHEM. V. 282 27760 2007 JRNL REFN ASTM JBCHA3 US ISSN 0021-9258 REMARK 2 REMARK 2 RESOLUTION. 2.25 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0019 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.25 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 47.73 REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE REMARK 3 COMPLETENESS FOR RANGE (%) : 96.91 REMARK 3 NUMBER OF REFLECTIONS : 12681 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.19634 REMARK 3 R VALUE (WORKING SET) : 0.19353 REMARK 3 FREE R VALUE : 0.25274 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.0 REMARK 3 FREE R VALUE TEST SET COUNT : 661 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.249 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.308 REMARK 3 REFLECTION IN BIN (WORKING SET) : 716 REMARK 3 BIN R VALUE (WORKING SET) : 0.281 REMARK 3 BIN FREE R VALUE SET COUNT : 32 REMARK 3 BIN FREE R VALUE : 0.352 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1798 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 17 REMARK 3 SOLVENT ATOMS : 110 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 73.664 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 3.66 REMARK 3 B22 (A**2) : -2.78 REMARK 3 B33 (A**2) : -0.88 REMARK 3 B12 (A**2) : 0.00 REMARK 3 B13 (A**2) : 0.00 REMARK 3 B23 (A**2) : 0.00 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.278 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.228 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.176 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 12.837 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.953 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.917 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED (A): 1849 ; 0.022 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED (DEGREES): 2490 ; 1.887 ; 1.959 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 235 ; 7.853 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 66 ;41.140 ;25.303 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 304 ;15.568 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 5 ;21.147 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 279 ; 0.130 ; 0.200 REMARK 3 GENERAL PLANES REFINED (A): 1332 ; 0.007 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED (A): 793 ; 0.239 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED (A): 1237 ; 0.301 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED (A): 119 ; 0.180 ; 0.200 REMARK 3 SYMMETRY VDW REFINED (A): 24 ; 0.179 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED (A): 6 ; 0.276 ; 0.200 REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED (A**2): 1235 ; 0.930 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE REFINED (A**2): 1907 ; 1.555 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED (A**2): 721 ; 2.481 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED (A**2): 583 ; 3.316 ; 4.500 REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 5 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 16 A 94 REMARK 3 ORIGIN FOR THE GROUP (A): 25.0220 -4.9530 15.0450 REMARK 3 T TENSOR REMARK 3 T11: -0.1720 T22: -0.1943 REMARK 3 T33: -0.2349 T12: -0.0151 REMARK 3 T13: -0.0253 T23: 0.0023 REMARK 3 L TENSOR REMARK 3 L11: 0.8969 L22: 2.1983 REMARK 3 L33: 1.4802 L12: 0.0315 REMARK 3 L13: 0.8171 L23: -0.4352 REMARK 3 S TENSOR REMARK 3 S11: 0.0770 S12: -0.0100 S13: -0.0754 REMARK 3 S21: -0.0163 S22: 0.0011 S23: -0.0475 REMARK 3 S31: 0.0122 S32: -0.0207 S33: -0.0781 REMARK 3 REMARK 3 TLS GROUP : 2 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 95 A 118 REMARK 3 ORIGIN FOR THE GROUP (A): 29.0990 0.6910 12.6020 REMARK 3 T TENSOR REMARK 3 T11: -0.2182 T22: -0.2367 REMARK 3 T33: -0.2817 T12: -0.0420 REMARK 3 T13: 0.0777 T23: 0.0125 REMARK 3 L TENSOR REMARK 3 L11: 4.5123 L22: 7.9233 REMARK 3 L33: 3.4520 L12: -4.0043 REMARK 3 L13: 3.2062 L23: -1.0245 REMARK 3 S TENSOR REMARK 3 S11: 0.0361 S12: -0.2457 S13: -0.0428 REMARK 3 S21: 0.0045 S22: 0.0788 S23: 0.0919 REMARK 3 S31: -0.2448 S32: 0.1152 S33: -0.1149 REMARK 3 REMARK 3 TLS GROUP : 3 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 119 A 166 REMARK 3 ORIGIN FOR THE GROUP (A): 17.0230 -3.1270 3.2560 REMARK 3 T TENSOR REMARK 3 T11: -0.2151 T22: -0.1926 REMARK 3 T33: -0.2214 T12: 0.0006 REMARK 3 T13: -0.0466 T23: 0.0033 REMARK 3 L TENSOR REMARK 3 L11: 1.1031 L22: 1.9486 REMARK 3 L33: 2.3288 L12: 0.6190 REMARK 3 L13: 1.1532 L23: -0.2068 REMARK 3 S TENSOR REMARK 3 S11: 0.1405 S12: -0.1439 S13: 0.0548 REMARK 3 S21: -0.1904 S22: -0.0097 S23: 0.2531 REMARK 3 S31: 0.0106 S32: -0.1822 S33: -0.1308 REMARK 3 REMARK 3 TLS GROUP : 4 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 167 A 234 REMARK 3 ORIGIN FOR THE GROUP (A): 15.7640 5.6670 2.2770 REMARK 3 T TENSOR REMARK 3 T11: -0.1207 T22: -0.1498 REMARK 3 T33: -0.1952 T12: 0.0767 REMARK 3 T13: -0.0637 T23: 0.0071 REMARK 3 L TENSOR REMARK 3 L11: 0.9151 L22: 1.7236 REMARK 3 L33: 3.6955 L12: 0.7150 REMARK 3 L13: 1.7083 L23: 0.5665 REMARK 3 S TENSOR REMARK 3 S11: -0.2703 S12: -0.1932 S13: 0.1514 REMARK 3 S21: -0.4356 S22: 0.0972 S23: 0.2088 REMARK 3 S31: -0.4313 S32: -0.2848 S33: 0.1730 REMARK 3 REMARK 3 TLS GROUP : 5 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 235 A 245 REMARK 3 ORIGIN FOR THE GROUP (A): 38.3870 7.1380 8.5940 REMARK 3 T TENSOR REMARK 3 T11: -0.1905 T22: -0.1992 REMARK 3 T33: -0.1227 T12: -0.0824 REMARK 3 T13: 0.1606 T23: -0.0579 REMARK 3 L TENSOR REMARK 3 L11: 11.8330 L22: 5.5308 REMARK 3 L33: 19.6865 L12: -4.0960 REMARK 3 L13: 10.2513 L23: -2.7860 REMARK 3 S TENSOR REMARK 3 S11: -0.1259 S12: 0.2246 S13: -0.1711 REMARK 3 S21: -0.1224 S22: 0.5665 S23: -1.0606 REMARK 3 S31: -0.3199 S32: 0.3467 S33: -0.4406 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS :1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE REMARK 3 RIDING POSITIONS. RESIDUES 1-6, 16-17 AND 30-34 OF THE VERONICA REMARK 3 HEDERIFOLIA INHIBITOR (CHAIN B) ARE DISORDERED AND NOT INCLUDED REMARK 3 IN THE MODEL. REMARK 4 REMARK 4 2CMY COMPLIES WITH FORMAT V. 3.1, 01-AUG-2007 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY EBI ON 16-MAY-2006. REMARK 100 THE EBI ID CODE IS EBI-28764. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 05-OCT-2003 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SRS BEAMLINE PX14.1 REMARK 200 BEAMLINE : PX14.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.488 REMARK 200 MONOCHROMATOR : SI (111) REMARK 200 OPTICS : MIRROR REMARK 200 REMARK 200 DETECTOR TYPE : CCD (QUANTUM 4) REMARK 200 DETECTOR MANUFACTURER : ADSC REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 13342 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.25 REMARK 200 RESOLUTION RANGE LOW (A) : 47.73 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.4 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.5 REMARK 200 DATA REDUNDANCY : 4.2 REMARK 200 R MERGE (I) : 0.12 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 11.90 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.25 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.33 REMARK 200 COMPLETENESS FOR SHELL (%) : 84.9 REMARK 200 DATA REDUNDANCY IN SHELL : 3.6 REMARK 200 R MERGE FOR SHELL (I) : 0.59 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.40 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: PDB ENTRY 1SFI REMARK 200 REMARK 200 REMARK: NONE REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 51.96 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.58 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: CRYSTALS OF TRYPSIN WERE GROWN REMARK 280 IN 2.5M AMMONIUM SULPHATE, 6MM CALCIUM CHLORIDE, 0.1M TRIS REMARK 280 PH 8.15, 60MM BENZAMIDINE. THEY WERE BACKSOAKED IN 0.1M NA REMARK 280 PHOSPHATE PH 5.8, 2.5M AMMONIUM SULPHATE TO REMOVE REMARK 280 BENZAMIDINE. CRYSTALS WERE MOVED TO 2.5M AMMONIUM SULPHATE, REMARK 280 1MM CALCIUM CHLORDIE, 0.1M TRIS PH 8 AND PEPTIDE REMARK 280 INHIBITOR ADDED AT 10MM AND INCUBATED FOR 16 HOURS. REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 1/2-X,-Y,1/2+Z REMARK 290 3555 -X,1/2+Y,1/2-Z REMARK 290 4555 1/2+X,1/2-Y,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 30.32850 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 35.84900 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 31.96400 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 35.84900 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 30.32850 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 31.96400 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK ALSO PROVIDES INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 GENERATING THE BIOMOLECULE REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PQS REMARK 350 AVERAGE BURIED SURFACE AREA: 730 ANGSTROM**2 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 ASN B 1 REMARK 465 THR B 2 REMARK 465 ASP B 3 REMARK 465 PRO B 4 REMARK 465 GLU B 5 REMARK 465 GLN B 6 REMARK 465 HIS B 16 REMARK 465 SER B 17 REMARK 465 GLU B 30 REMARK 465 LYS B 31 REMARK 465 GLU B 32 REMARK 465 HIS B 33 REMARK 465 ASP B 34 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 C ASN A 34 - N SER A 37 1.64 REMARK 500 O LEU A 67 - N GLY A 69 2.14 REMARK 500 O GLY A 78 - O HOH A 2031 2.11 REMARK 500 O THR A 125 - N SER A 127 2.14 REMARK 500 OG SER A 195 - C ARG B 15 1.64 REMARK 500 O SER A 217 - N GLY A 219 2.17 REMARK 500 O SER B 18 - O HOH B 2002 2.18 REMARK 500 O HOH B 2005 - O HOH A 2021 2.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,1X,2(A4,A1,3X),12X,F5.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCELIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 ASN A 34 C SER A 37 N 0.311 REMARK 500 TRP A 237 CB TRP A 237 CG -0.110 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCELIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASN A 34 CA - C - N ANGL. DEV. = -13.8 DEGREES REMARK 500 SER A 37 C - N - CA ANGL. DEV. = -17.5 DEGREES REMARK 500 GLY A 69 C - N - CA ANGL. DEV. = 21.9 DEGREES REMARK 500 LEU B 21 CA - CB - CG ANGL. DEV. = 14.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 54 -157.83 -142.41 REMARK 500 ASP A 71 -76.00 -121.54 REMARK 500 ASN A 115 -159.57 -165.78 REMARK 500 SER A 202 50.39 26.44 REMARK 500 SER A 214 -66.64 -121.21 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 LEU A 67 GLY A 69 0 -143.99 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 0 THR A 125 -12.44 REMARK 500 0 SER A 217 16.31 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A1248 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 VAL A 75 O REMARK 620 2 HOH A2032 O 119.1 REMARK 620 3 GLU A 70 OE1 150.9 89.0 REMARK 620 4 ASN A 72 O 79.8 101.3 88.2 REMARK 620 5 HOH A2027 O 76.3 156.0 79.7 99.5 REMARK 620 6 GLU A 80 OE2 99.7 60.7 100.6 159.5 100.3 REMARK 620 N 1 2 3 4 5 REMARK 700 REMARK 700 SHEET REMARK 700 DETERMINATION METHOD: DSSP REMARK 700 THE SHEETS PRESENTED AS "AB" IN EACH CHAIN ON SHEET RECORDS REMARK 700 BELOW IS ACTUALLY AN 6-STRANDED BARREL THIS IS REPRESENTED BY REMARK 700 A 7-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS REMARK 700 ARE IDENTICAL. REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: CAT REMARK 800 SITE_DESCRIPTION: CATALYTIC TRIAD REMARK 800 REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 SITE_DESCRIPTION: SO4 BINDING SITE FOR CHAIN A REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 SITE_DESCRIPTION: SO4 BINDING SITE FOR CHAIN A REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 SITE_DESCRIPTION: CA BINDING SITE FOR CHAIN A REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 SITE_DESCRIPTION: GOL BINDING SITE FOR CHAIN A REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1AQ7 RELATED DB: PDB REMARK 900 TRYPSIN WITH INHIBITOR AERUGINOSIN 98-B REMARK 900 RELATED ID: 1AUJ RELATED DB: PDB REMARK 900 BOVINE TRYPSIN COMPLEXED TO META-CYANO- REMARK 900 BENZYLIC INHIBITOR REMARK 900 RELATED ID: 1AZ8 RELATED DB: PDB REMARK 900 BOVINE TRYPSIN COMPLEXED TO BIS-PHENYLAMIDINE REMARK 900 INHIBITOR REMARK 900 RELATED ID: 1BJU RELATED DB: PDB REMARK 900 BETA-TRYPSIN COMPLEXED WITH ACPU REMARK 900 RELATED ID: 1BJV RELATED DB: PDB REMARK 900 BETA-TRYPSIN COMPLEXED WITH APPU REMARK 900 RELATED ID: 1BTP RELATED DB: PDB REMARK 900 MOL_ID: 1; MOLECULE: BETA-TRYPSIN; CHAIN: REMARK 900 NULL; EC: 3.4.21.4; HETEROGEN: N-[3-[4 REMARK 900 -[4-(AMIDINOPHENOXY)-CARBONYL]PHENYL]-2- REMARK 900 METHYL-2-PROPENOYL]-N-ALLYLGLYCINE REMARK 900 METHANESULFONATE REMARK 900 RELATED ID: 1BTW RELATED DB: PDB REMARK 900 MOL_ID: 1; MOLECULE: BETA-TRYPSIN; CHAIN: A REMARK 900 ; EC: 3.4.21.4; MOL_ID: 2; MOLECULE: T REMARK 900 -BUTOXY-ALA-VAL-BORO-LYS 1,3-PROPANEDIOL REMARK 900 MONOESTER; CHAIN: H REMARK 900 RELATED ID: 1BTX RELATED DB: PDB REMARK 900 MOL_ID: 1; MOLECULE: BETA-TRYPSIN; CHAIN: A REMARK 900 ; EC: 3.4.21.4; MOL_ID: 2; MOLECULE: T REMARK 900 -BUTOXY-ALA-VAL-BORO-LYS ETHYL ESTER; REMARK 900 CHAIN: H REMARK 900 RELATED ID: 1BTY RELATED DB: PDB REMARK 900 MOL_ID: 1; MOLECULE: BETA-TRYPSIN; CHAIN: REMARK 900 NULL; EC: 3.4.21.4; HETEROGEN: BENZAMIDINE REMARK 900 RELATED ID: 1BTZ RELATED DB: PDB REMARK 900 MOL_ID: 1; MOLECULE: BETA-TRYPSIN; CHAIN: A REMARK 900 ; EC: 3.4.21.4; MOL_ID: 2; MOLECULE: T REMARK 900 -BUTOXY-ALA-VAL-BORO-LYS METHYL ESTER; REMARK 900 CHAIN: H REMARK 900 RELATED ID: 1C1N RELATED DB: PDB REMARK 900 RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC REMARK 900 INHIBITION OF SERINE PROTEASES REMARK 900 RELATED ID: 1C1O RELATED DB: PDB REMARK 900 RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC REMARK 900 INHIBITION OF SERINE PROTEASES REMARK 900 RELATED ID: 1C1P RELATED DB: PDB REMARK 900 RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC REMARK 900 INHIBITION OF SERINE PROTEASES REMARK 900 RELATED ID: 1C1Q RELATED DB: PDB REMARK 900 RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC REMARK 900 INHIBITION OF SERINE PROTEASES REMARK 900 RELATED ID: 1C1R RELATED DB: PDB REMARK 900 RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC REMARK 900 INHIBITION OF SERINE PROTEASES REMARK 900 RELATED ID: 1C1S RELATED DB: PDB REMARK 900 RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC REMARK 900 INHIBITION OF SERINE PROTEASES REMARK 900 RELATED ID: 1C1T RELATED DB: PDB REMARK 900 RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC REMARK 900 INHIBITION OF SERINE PROTEASES REMARK 900 RELATED ID: 1C2D RELATED DB: PDB REMARK 900 RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC REMARK 900 INHIBITION OF SERINE PROTEASES REMARK 900 RELATED ID: 1C2E RELATED DB: PDB REMARK 900 RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC REMARK 900 INHIBITION OF SERINE PROTEASES REMARK 900 RELATED ID: 1C2F RELATED DB: PDB REMARK 900 RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC REMARK 900 INHIBITION OF SERINE PROTEASES REMARK 900 RELATED ID: 1C2G RELATED DB: PDB REMARK 900 RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC REMARK 900 INHIBITION OF SERINE PROTEASES REMARK 900 RELATED ID: 1C2H RELATED DB: PDB REMARK 900 RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC REMARK 900 INHIBITION OF SERINE PROTEASES REMARK 900 RELATED ID: 1C2I RELATED DB: PDB REMARK 900 RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC REMARK 900 INHIBITION OF SERINE PROTEASES REMARK 900 RELATED ID: 1C2J RELATED DB: PDB REMARK 900 RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC REMARK 900 INHIBITION OF SERINE PROTEASES REMARK 900 RELATED ID: 1C2K RELATED DB: PDB REMARK 900 RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC REMARK 900 INHIBITION OFSERINE PROTEASES REMARK 900 RELATED ID: 1C2L RELATED DB: PDB REMARK 900 RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC REMARK 900 INHIBITION OF SERINE PROTEASES REMARK 900 RELATED ID: 1C2M RELATED DB: PDB REMARK 900 RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC REMARK 900 INHIBITION OF SERINE PROTEASES REMARK 900 RELATED ID: 1C5P RELATED DB: PDB REMARK 900 STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL REMARK 900 MOLECULE, S1-BINDING, SUB- MICROMOLAR REMARK 900 INHIBITOR OF UROKINASE TYPE PLASMINOGEN REMARK 900 ACTIVATOR REMARK 900 RELATED ID: 1C5Q RELATED DB: PDB REMARK 900 STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL REMARK 900 MOLECULE, S1-BINDING, SUB- MICROMOLAR REMARK 900 INHIBITOR OF UROKINASE TYPE PLASMINOGEN REMARK 900 ACTIVATOR REMARK 900 RELATED ID: 1C5R RELATED DB: PDB REMARK 900 STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL REMARK 900 MOLECULE, S1-BINDING, SUB- MICROMOLAR REMARK 900 INHIBITOR OF UROKINASE TYPE PLASMINOGEN REMARK 900 ACTIVATOR REMARK 900 RELATED ID: 1C5S RELATED DB: PDB REMARK 900 STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL REMARK 900 MOLECULE, S1-BINDING, SUB- MICROMOLAR REMARK 900 INHIBITOR OF UROKINASE TYPE PLASMINOGEN REMARK 900 ACTIVATOR REMARK 900 RELATED ID: 1C5T RELATED DB: PDB REMARK 900 STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL REMARK 900 MOLECULE, S1-BINDING, SUB- MICROMOLAR REMARK 900 INHIBITOR OF UROKINASE TYPE PLASMINOGEN REMARK 900 ACTIVATOR REMARK 900 RELATED ID: 1C5U RELATED DB: PDB REMARK 900 STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL REMARK 900 MOLECULE, S1-BINDING, SUB- MICROMOLAR REMARK 900 INHIBITOR OF UROKINASE TYPE PLASMINOGEN REMARK 900 ACTIVATOR REMARK 900 RELATED ID: 1C5V RELATED DB: PDB REMARK 900 STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL REMARK 900 MOLECULE, S1-BINDING, SUB- MICROMOLAR REMARK 900 INHIBITOR OF UROKINASE TYPE PLASMINOGEN REMARK 900 ACTIVATOR REMARK 900 RELATED ID: 1C9T RELATED DB: PDB REMARK 900 COMPLEX OF BDELLASTASIN WITH BOVINE TRYPSIN REMARK 900 RELATED ID: 1CE5 RELATED DB: PDB REMARK 900 BOVINE PANCREAS BETA-TRYPSIN IN COMPLEX WITH REMARK 900 BENZAMIDINE REMARK 900 RELATED ID: 1CU7 RELATED DB: PDB REMARK 900 BOVINE TRYPSIN COMPLEXED WITH 2-[3-AMINO( REMARK 900 IMINOMETHYL) PHENOXY]-6-[3-(AMINOMETHYL) REMARK 900 PHENOXY]-3,5-DIFLUORO-4- METHYLPYRIDINE (ZK REMARK 900 -806299), BINDING MODEL FROM DOUBLE REDOR REMARK 900 NMR AND MD SIMULATIONS REMARK 900 RELATED ID: 1CU8 RELATED DB: PDB REMARK 900 BOVINE TRYPSIN COMPLEXED WITH 2,6-BIS[3- REMARK 900 AMINO(IMINO)METHYL PHENOXY]-3,5-DIFLUORO-4 REMARK 900 -METHYLPYRIDINE (ZK-805623), BINDING MODEL REMARK 900 FROM DOUBLE REDOR NMR AND MD SIMULATIONS REMARK 900 RELATED ID: 1CU9 RELATED DB: PDB REMARK 900 BOVINE TRYPSIN COMPLEXED WITH 2,6-BIS[3- REMARK 900 AMINO(IMINO)METHYL PHENOXY]-3,5-DIFLUORO-4 REMARK 900 -METHYLPYRIDINE (ZK-805623), BINDING MODEL REMARK 900 FROM DOUBLE REDOR NMR AND MD SIMULATIONS REMARK 900 RELATED ID: 1D6R RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF CANCER CHEMOPREVENTIVE REMARK 900 BOWMAN-BIRK INHIBITOR IN TERNARY COMPLEX REMARK 900 WITH BOVINE TRYPSIN AT 2.3 A RESOLUTION. REMARK 900 STRUCTURAL BASIS OF JANUS-FACED SERINE REMARK 900 PROTEASE INHIBITOR SPECIFICITY REMARK 900 RELATED ID: 1EB2 RELATED DB: PDB REMARK 900 TRYPSIN INHIBITOR COMPLEX (FRA) REMARK 900 RELATED ID: 1EJM RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE BPTI ALA16LEU REMARK 900 MUTANT IN COMPLEX WITH BOVINE TRYPSIN REMARK 900 RELATED ID: 1EZX RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF A SERPIN:PROTEASE REMARK 900 COMPLEX REMARK 900 RELATED ID: 1F0T RELATED DB: PDB REMARK 900 BOVINE TRYPSIN COMPLEXED WITH RPR131247 REMARK 900 RELATED ID: 1F0U RELATED DB: PDB REMARK 900 BOVINE TRYPSIN COMPLEXED WITH RPR128515 REMARK 900 RELATED ID: 1F2S RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX FORMED REMARK 900 BETWEEN BOVINE BETA- TRYPSIN AND MCTI-A, A REMARK 900 TRYPSIN INHIBITOR OF SQUASH FAMILY AT 1. REMARK 900 8 A RESOLUTION REMARK 900 RELATED ID: 1G36 RELATED DB: PDB REMARK 900 TRYPSIN INHIBITOR COMPLEX REMARK 900 RELATED ID: 1G3B RELATED DB: PDB REMARK 900 BOVINE BETA-TRYPSIN BOUND TO META-AMIDINO REMARK 900 SCHIFF BASEMAGNESIUM(II) CHELATE REMARK 900 RELATED ID: 1G3C RELATED DB: PDB REMARK 900 BOVINE BETA-TRYPSIN BOUND TO PARA-AMIDINO REMARK 900 SCHIFF BASEIRON(III) CHELATE REMARK 900 RELATED ID: 1G3D RELATED DB: PDB REMARK 900 BOVINE BETA-TRYPSIN BOUND TO META-AMIDINO REMARK 900 SCHIFF BASECOPPER (II) CHELATE REMARK 900 RELATED ID: 1G3E RELATED DB: PDB REMARK 900 BOVINE BETA-TRYPSIN BOUND TO PARA-AMIDINO REMARK 900 SCHIFF-BASECOPPER (II) CHELATE REMARK 900 RELATED ID: 1G9I RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF BETA-TRYSIN COMPLEX IN REMARK 900 CYCLOHEXANE REMARK 900 RELATED ID: 1GBT RELATED DB: PDB REMARK 900 BETA-TRYPSIN GUANIDINOBENZOYLATED AT SERINE REMARK 900 195 (PH 5.5) REMARK 900 RELATED ID: 1GHZ RELATED DB: PDB REMARK 900 A NOVEL SERINE PROTEASE INHIBITION MOTIF REMARK 900 INVOLVING A MULTI-CENTERED SHORT HYDROGEN REMARK 900 BONDING NETWORK AT THE ACTIVE SITE REMARK 900 RELATED ID: 1GI0 RELATED DB: PDB REMARK 900 A NOVEL SERINE PROTEASE INHIBITION MOTIF REMARK 900 INVOLVING A MULTI-CENTERED SHORT HYDROGEN REMARK 900 BONDING NETWORK AT THE ACTIVE SITE REMARK 900 RELATED ID: 1GI1 RELATED DB: PDB REMARK 900 A NOVEL SERINE PROTEASE INHIBITION MOTIF REMARK 900 INVOLVING A MULTI-CENTERED SHORT HYDROGEN REMARK 900 BONDING NETWORK AT THE ACTIVE SITE REMARK 900 RELATED ID: 1GI2 RELATED DB: PDB REMARK 900 A NOVEL SERINE PROTEASE INHIBITION MOTIF REMARK 900 INVOLVING A MULTI-CENTERED SHORT HYDROGEN REMARK 900 BONDING NETWORK AT THE ACTIVE SITE REMARK 900 RELATED ID: 1GI3 RELATED DB: PDB REMARK 900 A NOVEL SERINE PROTEASE INHIBITION MOTIF REMARK 900 INVOLVING A MULTI-CENTERED SHORT HYDROGEN REMARK 900 BONDING NETWORK AT THE ACTIVE SITE REMARK 900 RELATED ID: 1GI4 RELATED DB: PDB REMARK 900 A NOVEL SERINE PROTEASE INHIBITION MOTIF REMARK 900 INVOLVING A MULTI-CENTERED SHORT HYDROGEN REMARK 900 BONDING NETWORK AT THE ACTIVE SITE REMARK 900 RELATED ID: 1GI5 RELATED DB: PDB REMARK 900 A NOVEL SERINE PROTEASE INHIBITION MOTIF REMARK 900 INVOLVING A MULTI-CENTERED SHORT HYDROGEN REMARK 900 BONDING NETWORK AT THE ACTIVE SITE REMARK 900 RELATED ID: 1GI6 RELATED DB: PDB REMARK 900 A NOVEL SERINE PROTEASE INHIBITION MOTIF REMARK 900 INVOLVING A MULTI-CENTERED SHORT HYDROGEN REMARK 900 BONDING NETWORK AT THE ACTIVE SITE REMARK 900 RELATED ID: 1GJ6 RELATED DB: PDB REMARK 900 ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR REMARK 900 THE S1 SITES OFSER190 TRYPSIN-LIKE SERINE REMARK 900 PROTEASE DRUG TARGETS REMARK 900 RELATED ID: 1HJ9 RELATED DB: PDB REMARK 900 ATOMIC RESOLUTION STRUCTURES OF TRYPSIN REMARK 900 PROVIDE INSIGHT INTO STRUCTURAL RADIATION REMARK 900 DAMAGE REMARK 900 RELATED ID: 1J8A RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF BENZAMIDINE INHIBITED REMARK 900 BOVINEPANCREATIC TRYPSIN AT 105K TO 1.21A REMARK 900 RESOLUTION FROMLABORATORY SOURCE WITH HIGH REMARK 900 NUMBER OF WATERS MODELLED REMARK 900 RELATED ID: 1JIR RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF TRYPSIN COMPLEX WITH REMARK 900 AMYLAMINE INCYCLOHEXANE REMARK 900 RELATED ID: 1JRS RELATED DB: PDB REMARK 900 HEMIACETAL COMPLEX BETWEEN LEUPEPTIN AND REMARK 900 TRYPSIN REMARK 900 RELATED ID: 1JRT RELATED DB: PDB REMARK 900 HEMIACETAL COMPLEX BETWEEN LEUPEPTIN AND REMARK 900 TRYPSIN REMARK 900 RELATED ID: 1K1I RELATED DB: PDB REMARK 900 BOVINE TRYPSIN-INHIBITOR COMPLEX REMARK 900 RELATED ID: 1K1J RELATED DB: PDB REMARK 900 BOVINE TRYPSIN-INHIBITOR COMPLEX REMARK 900 RELATED ID: 1K1L RELATED DB: PDB REMARK 900 BOVINE TRYPSIN-INHIBITOR COMPLEX REMARK 900 RELATED ID: 1K1M RELATED DB: PDB REMARK 900 BOVINE TRYPSIN-INHIBITOR COMPLEX REMARK 900 RELATED ID: 1K1N RELATED DB: PDB REMARK 900 BOVINE TRYPSIN-INHIBITOR COMPLEX REMARK 900 RELATED ID: 1K1O RELATED DB: PDB REMARK 900 BOVINE TRYPSIN-INHIBITOR COMPLEX REMARK 900 RELATED ID: 1K1P RELATED DB: PDB REMARK 900 BOVINE TRYPSIN-INHIBITOR COMPLEX REMARK 900 RELATED ID: 1LQE RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF TRYPSIN IN COMPLEX WITH REMARK 900 79. REMARK 900 RELATED ID: 1MAX RELATED DB: PDB REMARK 900 BETA-TRYPSIN PHOSPHONATE INHIBITED REMARK 900 RELATED ID: 1MAY RELATED DB: PDB REMARK 900 BETA-TRYPSIN PHOSPHONATE INHIBITED REMARK 900 RELATED ID: 1MTS RELATED DB: PDB REMARK 900 FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH REMARK 900 BOVINE TRYPSIN REMARK 900 RELATED ID: 1MTU RELATED DB: PDB REMARK 900 FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH REMARK 900 BOVINE TRYPSIN REMARK 900 RELATED ID: 1MTV RELATED DB: PDB REMARK 900 FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH REMARK 900 BOVINE TRYPSIN REMARK 900 RELATED ID: 1MTW RELATED DB: PDB REMARK 900 FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH REMARK 900 BOVINE TRYPSIN REMARK 900 RELATED ID: 1N6X RELATED DB: PDB REMARK 900 RIP-PHASING ON BOVINE TRYPSIN REMARK 900 RELATED ID: 1N6Y RELATED DB: PDB REMARK 900 RIP-PHASING ON BOVINE TRYPSIN REMARK 900 RELATED ID: 1NC6 RELATED DB: PDB REMARK 900 POTENT, SMALL MOLECULE INHIBITORS OF HUMAN REMARK 900 MAST CELLTRYPTASE. ANTI-ASTHMATIC ACTION OF REMARK 900 A DIPEPTIDE-BASEDTRANSITION STATE ANALOGUE REMARK 900 CONTAINING BENZOTHIAZOLE KETONE REMARK 900 RELATED ID: 1NTP RELATED DB: PDB REMARK 900 MODIFIED BETA TRYPSIN (MONOISOPROPYLPHOSPHORYL REMARK 900 INHIBITED) (NEUTRON DATA) REMARK 900 RELATED ID: 1O2H RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O2I RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O2J RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O2K RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O2L RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O2M RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O2N RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O2O RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O2P RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O2Q RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O2R RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O2S RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O2T RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O2U RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O2V RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O2W RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O2X RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O2Y RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O2Z RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O30 RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O31 RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O32 RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O33 RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O34 RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O35 RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O36 RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O37 RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O38 RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O39 RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O3A RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O3B RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O3C RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O3D RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O3E RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O3F RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O3G RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O3H RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O3I RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O3J RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O3K RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O3L RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O3M RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O3N RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1O3O RELATED DB: PDB REMARK 900 ELABORATE MANIFOLD OF SHORT HYDROGEN BOND REMARK 900 ARRAYS MEDIATINGBINDING OF ACTIVE SITE- REMARK 900 DIRECTED SERINE PROTEASE INHIBITORS REMARK 900 RELATED ID: 1OPH RELATED DB: PDB REMARK 900 NON-COVALENT COMPLEX BETWEEN ALPHA-1-PI- REMARK 900 PITTSBURGH ANDS195A TRYPSIN REMARK 900 RELATED ID: 1OX1 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE BOVINE TRYPSIN REMARK 900 COMPLEX WITH ASYNTHETIC 11 PEPTIDE INHIBITOR REMARK 900 RELATED ID: 1OYQ RELATED DB: PDB REMARK 900 TRYPSIN INHIBITOR COMPLEX REMARK 900 RELATED ID: 1P2I RELATED DB: PDB REMARK 900 STRUCTURAL CONSEQUENCES OF ACCOMMODATION OF REMARK 900 FOUR NON-COGNATE AMINO-ACID RESIDUES IN REMARK 900 THE S1 POCKET OF BOVINETRYPSIN AND REMARK 900 CHYMOTRYPSIN REMARK 900 RELATED ID: 1P2J RELATED DB: PDB REMARK 900 STRUCTURAL CONSEQUENCES OF ACCOMMODATION OF REMARK 900 FOUR NON-COGNATE AMINO-ACID RESIDUES IN REMARK 900 THE S1 POCKET OF BOVINETRYPSIN AND REMARK 900 CHYMOTRYPSIN REMARK 900 RELATED ID: 1P2K RELATED DB: PDB REMARK 900 STRUCTURAL CONSEQUENCES OF ACCOMMODATION OF REMARK 900 FOUR NON-COGNATE AMINO-ACID RESIDUES IN REMARK 900 THE S1 POCKET OF BOVINETRYPSIN AND REMARK 900 CHYMOTRYPSIN REMARK 900 RELATED ID: 1PPC RELATED DB: PDB REMARK 900 TRYPSIN COMPLEX WITH NONCOVALENTLY BOUND NAPAP REMARK 900 RELATED ID: 1PPE RELATED DB: PDB REMARK 900 TRYPSIN COMPLEX WITH (CUCURBITA MAXIMA) REMARK 900 TRYPSIN INHIBITOR (CMTI-I) REMARK 900 RELATED ID: 1PPH RELATED DB: PDB REMARK 900 TRYPSIN COMPLEX WITH NONCOVALENTLY BOUND 3- REMARK 900 TAPAP REMARK 900 RELATED ID: 1QA0 RELATED DB: PDB REMARK 900 BOVINE TRYPSIN 2-AMINOBENZIMIDAZOLE COMPLEX REMARK 900 RELATED ID: 1QB1 RELATED DB: PDB REMARK 900 BOVINE TRYPSIN WITH 1-[2-[5-[AMINO(IMINO) REMARK 900 METHYL]-2- HYDROXYPHENOXY]-6-[3-(4,5- REMARK 900 DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL) PHENOXY REMARK 900 ]PYRIDIN-4-YL]PIPERIDINE-3-CARBOXYLIC ACID REMARK 900 (ZK- 806974) REMARK 900 RELATED ID: 1QB6 RELATED DB: PDB REMARK 900 BOVINE TRYPSIN 3,3'-[3,5-DIFLUORO-4- REMARK 900 METHYL-2, 6- PYRIDINEDIYLBIS(OXY)]BIS( REMARK 900 BENZENECARBOXIMIDAMIDE) (ZK-805623) COMPLEX REMARK 900 RELATED ID: 1QB9 RELATED DB: PDB REMARK 900 BOVINE TRYPSIN 7-[[2-[[1-(1-IMINOETHYL) REMARK 900 PIPERIDIN-4-YL]OXY]- 9H-CARBOZOL-9-YL] REMARK 900 METHYL]NAPHTHALENE-2-CARBOXIMIDAMIDE (ZK- REMARK 900 806450) COMPLEX REMARK 900 RELATED ID: 1QBN RELATED DB: PDB REMARK 900 BOVINE TRYPSIN 2-[AMINO(IMINO)METHYL]-2- REMARK 900 HYDROXYPHENOXY]-6- [3-(4,5-DIHYDRO-1H- REMARK 900 IMIDAZOL-2-YL)PHENOXY]PYRIDINE-4- CARBOXYLIC REMARK 900 ACID (ZK-806688) COMPLEX REMARK 900 RELATED ID: 1QBO RELATED DB: PDB REMARK 900 BOVINE TRYPSIN 7-[[6-[[1-(1-IMINOETHYL) REMARK 900 PIPERIDIN-4-YL]OXY]- 2-METHYL-BENZIMIDAZOL- REMARK 900 1-YL]METHYL]NAPHTHALENE-2- CARBOXIMIDAMID ZK REMARK 900 -806711 INHIBITOR COMPLEX REMARK 900 RELATED ID: 1QCP RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE RWJ-51084 BOVINE REMARK 900 PANCREATIC BETA- TRYPSIN AT 1.8 A REMARK 900 RELATED ID: 1QL7 RELATED DB: PDB REMARK 900 FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH REMARK 900 BOVINE TRYPSIN REMARK 900 RELATED ID: 1QL8 RELATED DB: PDB REMARK 900 FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH REMARK 900 BOVINE TRYPSIN REMARK 900 RELATED ID: 1RXP RELATED DB: PDB REMARK 900 STRUCTURE OF TRYPSIN (ORTHORHOMBIC) WITH 1-( REMARK 900 4-TERT-BUTYLCARBAMOYL- PIPERAZINE-1-CARBONYL REMARK 900 )-3-(3-GUANIDINO-PROPYL)-4-OXO-AZETIDINE- REMARK 900 2-CARBOXYLIC ACID REMARK 900 RELATED ID: 1S0Q RELATED DB: PDB REMARK 900 NATIVE BOVINE PANCREATIC TRYPSIN REMARK 900 RELATED ID: 1S0R RELATED DB: PDB REMARK 900 BOVINE PANCREATIC TRYPSIN INHIBITED WITH REMARK 900 BENZAMIDINE ATATOMIC RESOLUTION REMARK 900 RELATED ID: 1SBW RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF MUNG BEAN INHIBITOR REMARK 900 LYSINE ACTIVE FRAGMENT COMPLEX WITH BOVINE REMARK 900 BETA-TRYPSIN AT 1.8A RESOLUTION REMARK 900 RELATED ID: 1SFI RELATED DB: PDB REMARK 900 HIGH RESOLUTION STRUCTURE OF A POTENT, REMARK 900 CYCLIC PROTEASE INHIBITOR FROM SUNFLOWER SEEDS REMARK 900 RELATED ID: 1SMF RELATED DB: PDB REMARK 900 TRYPSIN COMPLEXED WITH BOWMAN-BIRK INHIBITOR REMARK 900 RELATED ID: 1TAB RELATED DB: PDB REMARK 900 TRYPSIN COMPLEX WITH BOWMAN-BIRK INHIBITOR ( REMARK 900 AB-I) REMARK 900 RELATED ID: 1TAW RELATED DB: PDB REMARK 900 BOVINE TRYPSIN COMPLEXED TO APPI REMARK 900 RELATED ID: 1TGB RELATED DB: PDB REMARK 900 TRYPSINOGEN-CA FROM PEG REMARK 900 RELATED ID: 1TGC RELATED DB: PDB REMARK 900 TRYPSINOGEN (0.50 METHANOL, 0.50 WATER) REMARK 900 RELATED ID: 1TGN RELATED DB: PDB REMARK 900 TRYPSINOGEN REMARK 900 RELATED ID: 1TGS RELATED DB: PDB REMARK 900 TRYPSINOGEN COMPLEX WITH PORCINE PANCREATIC REMARK 900 SECRETORY TRYPSIN INHIBITOR REMARK 900 RELATED ID: 1TGT RELATED DB: PDB REMARK 900 TRYPSINOGEN (173 DEGREES K, 0.70 METHANOL, REMARK 900 0.30 WATER) REMARK 900 RELATED ID: 1TIO RELATED DB: PDB REMARK 900 HIGH PACKING DENSITY FORM OF BOVINE BETA- REMARK 900 TRYPSIN IN CYCLOHEXANE REMARK 900 RELATED ID: 1TLD RELATED DB: PDB REMARK 900 BETA-TRYPSIN (ORTHORHOMBIC) AT PH 5.3 REMARK 900 RELATED ID: 1TNG RELATED DB: PDB REMARK 900 TRYPSIN COMPLEXED WITH THE INHIBITOR REMARK 900 AMINOMETHYLCYCLOHEXANE REMARK 900 RELATED ID: 1TNH RELATED DB: PDB REMARK 900 TRYPSIN COMPLEXED WITH THE INHIBITOR 4- REMARK 900 FLUOROBENZYLAMINE REMARK 900 RELATED ID: 1TNI RELATED DB: PDB REMARK 900 TRYPSIN COMPLEXED WITH THE INHIBITOR 4- REMARK 900 PHENYLBUTYLAMINE REMARK 900 RELATED ID: 1TNJ RELATED DB: PDB REMARK 900 TRYPSIN COMPLEXED WITH THE INHIBITOR 2- REMARK 900 PHENYLETHYLAMINE REMARK 900 RELATED ID: 1TNK RELATED DB: PDB REMARK 900 TRYPSIN COMPLEXED WITH THE INHIBITOR 3- REMARK 900 PHENYLPROPYLAMINE REMARK 900 RELATED ID: 1TNL RELATED DB: PDB REMARK 900 TRYPSIN COMPLEXED WITH THE INHIBITOR REMARK 900 TRANYLCYPROMINE REMARK 900 RELATED ID: 1TPA RELATED DB: PDB REMARK 900 ANHYDRO-TRYPSIN COMPLEX WITH PANCREATIC REMARK 900 TRYPSIN INHIBITOR REMARK 900 RELATED ID: 1TPO RELATED DB: PDB REMARK 900 BETA-TRYPSIN (ORTHORHOMBIC) AT PH5.0 REMARK 900 RELATED ID: 1TPP RELATED DB: PDB REMARK 900 BETA-TRYPSIN COMPLEX WITH P-AMIDINO-PHENYL- REMARK 900 PYRUVATE (APPA) REMARK 900 RELATED ID: 1TPS RELATED DB: PDB REMARK 900 TRYPSIN COMPLEXED WITH INHIBITOR A90720A REMARK 900 RELATED ID: 1TX7 RELATED DB: PDB REMARK 900 BOVINE TRYPSIN COMPLEXED WITH P- REMARK 900 AMIDINOPHENYLMETHYLPHOSPHINIC ACID (AMPA) REMARK 900 RELATED ID: 1TX8 RELATED DB: PDB REMARK 900 BOVINE TRYPSIN COMPLEXED WITH AMSO REMARK 900 RELATED ID: 1TYN RELATED DB: PDB REMARK 900 BETA TRYPSIN COMPLEXED WITH CYCLOTHEONAMIDE A REMARK 900 RELATED ID: 1UTN RELATED DB: PDB REMARK 900 TRYPSIN SPECIFICITY AS ELUCIDATED BY LIE REMARK 900 CALCULATIONS, X-RAY STRUCTURES AND ASSOCIATION REMARK 900 CONSTANT MEASUREMENTS REMARK 900 RELATED ID: 1UTO RELATED DB: PDB REMARK 900 TRYPSIN SPECIFICITY AS ELUCIDATED BY LIE REMARK 900 CALCULATIONS, X-RAY STRUCTURES AND ASSOCIATION REMARK 900 CONSTANT MEASUREMENTS REMARK 900 RELATED ID: 1UTP RELATED DB: PDB REMARK 900 TRYPSIN SPECIFICITY AS ELUCIDATED BY LIE REMARK 900 CALCULATIONS, X-RAY STRUCTURES AND ASSOCIATION REMARK 900 CONSTANT MEASUREMENTS REMARK 900 RELATED ID: 1UTQ RELATED DB: PDB REMARK 900 TRYPSIN SPECIFICITY AS ELUCIDATED BY LIE REMARK 900 CALCULATIONS, X-RAY STRUCTURES AND ASSOCIATION REMARK 900 CONSTANT MEASUREMENTS REMARK 900 RELATED ID: 1V2J RELATED DB: PDB REMARK 900 BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN REMARK 900 VARIANT X(SSRI)BT.C1 REMARK 900 RELATED ID: 1V2K RELATED DB: PDB REMARK 900 FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH REMARK 900 BOVINE TRYPSINVARIANT X(TRIPLE.GLU)BT.D2 REMARK 900 RELATED ID: 1V2L RELATED DB: PDB REMARK 900 BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN REMARK 900 VARIANTX(TRIPLE.GLU)BT.D1 REMARK 900 RELATED ID: 1V2M RELATED DB: PDB REMARK 900 BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN REMARK 900 VARIANTX(TRIPLE.GLU)BT.A1 REMARK 900 RELATED ID: 1V2N RELATED DB: PDB REMARK 900 POTENT FACTOR XA INHIBITOR IN COMPLEX WITH REMARK 900 BOVINE TRYPSINVARIANT X(99/175/190)BT REMARK 900 RELATED ID: 1V2O RELATED DB: PDB REMARK 900 TRYPSIN INHIBITOR IN COMPLEX WITH BOVINE REMARK 900 TRYPSIN VARIANTX(SSYI)BT.B4 REMARK 900 RELATED ID: 1V2P RELATED DB: PDB REMARK 900 TRYPSIN INHIBITOR IN COMPLEX WITH BOVINE REMARK 900 TRYPSIN VARIANTX(SSYI)BT.A4 REMARK 900 RELATED ID: 1V2Q RELATED DB: PDB REMARK 900 TRYPSIN INHIBITOR IN COMPLEX WITH BOVINE REMARK 900 TRYPSIN VARIANTX(SSWI)BT.B4 REMARK 900 RELATED ID: 1V2R RELATED DB: PDB REMARK 900 TRYPSIN INHIBITOR IN COMPLEX WITH BOVINE REMARK 900 TRYPSIN VARIANTX(SSRI)BT.B4 REMARK 900 RELATED ID: 1V2S RELATED DB: PDB REMARK 900 BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN REMARK 900 VARIANTX(SSFI.GLU)BT.D1 REMARK 900 RELATED ID: 1V2T RELATED DB: PDB REMARK 900 TRYPSIN INHIBITOR IN COMPLEX WITH BOVINE REMARK 900 TRYPSIN VARIANTX(SSFI.GLU)BT.B4 REMARK 900 RELATED ID: 1V2U RELATED DB: PDB REMARK 900 BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN REMARK 900 VARINAT X(SSAI)BT.D1 REMARK 900 RELATED ID: 1V2V RELATED DB: PDB REMARK 900 BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN REMARK 900 VARIANT X(SSAI)BT.C1 REMARK 900 RELATED ID: 1V2W RELATED DB: PDB REMARK 900 TRYPSIN INHIBITOR IN COMPLEX WITH BOVINE REMARK 900 TRYPSIN VARIANTX(SSAI)BT.B4 REMARK 900 RELATED ID: 1XUF RELATED DB: PDB REMARK 900 TRYPSIN-BABIM-ZN+2, PH 8.2 REMARK 900 RELATED ID: 1XUG RELATED DB: PDB REMARK 900 TRYPSIN-BABIM-ZN+2, PH 8.2 REMARK 900 RELATED ID: 1XUH RELATED DB: PDB REMARK 900 TRYPSIN-KETO-BABIM-CO+2, PH 8.2 REMARK 900 RELATED ID: 1XUI RELATED DB: PDB REMARK 900 TRYPSIN-KETO-BABIM, ZN+2-FREE, PH 8.2 REMARK 900 RELATED ID: 1XUJ RELATED DB: PDB REMARK 900 TRYPSIN-KETO-BABIM-ZN+2, PH 8.2 REMARK 900 RELATED ID: 1XUK RELATED DB: PDB REMARK 900 TRYPSIN-BABIM-SULFATE, PH 5.9 REMARK 900 RELATED ID: 1Y3U RELATED DB: PDB REMARK 900 TRYPSIN INHIBITOR COMPLEX REMARK 900 RELATED ID: 1Y3V RELATED DB: PDB REMARK 900 TRYPSIN INHIBITOR COMPLEX REMARK 900 RELATED ID: 1Y3W RELATED DB: PDB REMARK 900 TRYPSIN INHIBITOR COMPLEX REMARK 900 RELATED ID: 1Y3X RELATED DB: PDB REMARK 900 TRYPSIN INHIBITOR COMPLEX REMARK 900 RELATED ID: 1Y3Y RELATED DB: PDB REMARK 900 TRYPSIN INHIBITOR COMPLEX REMARK 900 RELATED ID: 1Y59 RELATED DB: PDB REMARK 900 DIANHYDROSUGAR-BASED BENZAMIDINE, FACTOR XA REMARK 900 SPECIFICINHIBITOR IN COMPLEX WITH BOVINE REMARK 900 TRYPSIN MUTANT REMARK 900 RELATED ID: 1Y5A RELATED DB: PDB REMARK 900 DIANHYDROSUGAR-BASED BENZAMIDINE, FACTOR XA REMARK 900 SPECIFICINHIBITOR IN COMPLEX WITH BOVINE REMARK 900 TRYPSIN MUTANT REMARK 900 RELATED ID: 1Y5B RELATED DB: PDB REMARK 900 DIANHYDROSUGAR-BASED BENZAMIDINE, FACTOR XA REMARK 900 SPECIFICINHIBITOR IN COMPLEX WITH BOVINE REMARK 900 TRYPSIN MUTANT REMARK 900 RELATED ID: 1Y5U RELATED DB: PDB REMARK 900 DIANHYDROSUGAR-BASED BENZAMIDINE, FACTOR XA REMARK 900 SPECIFICINHIBITOR IN COMPLEX WITH BOVINE REMARK 900 TRYPSIN MUTANT REMARK 900 RELATED ID: 1YP9 RELATED DB: PDB REMARK 900 TRYPSIN INHIBITOR COMPLEX REMARK 900 RELATED ID: 1YYY RELATED DB: PDB REMARK 900 TRYPSIN INHIBITORS WITH RIGID TRIPEPTIDYL REMARK 900 ALDEHYDES REMARK 900 RELATED ID: 1ZR0 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF KUNITZ DOMAIN 1 OF REMARK 900 TISSUE FACTORPATHWAY INHIBITOR-2 WITH BOVINE REMARK 900 TRYPSIN REMARK 900 RELATED ID: 1ZZZ RELATED DB: PDB REMARK 900 TRYPSIN INHIBITORS WITH RIGID TRIPEPTIDYL REMARK 900 ALDEHYDES REMARK 900 RELATED ID: 2A7H RELATED DB: PDB REMARK 900 ON THE ROUTINE USE OF SOFT X-RAYS IN REMARK 900 MACROMOLECULARCRYSTALLOGRAPHY, PART III- THE REMARK 900 OPTIMAL DATA COLLECTIONWAVELENGTH REMARK 900 RELATED ID: 2AYW RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX FORMED REMARK 900 BETWEEN TRYPSIN ANDA DESIGNED SYNTHETIC HIGHLY REMARK 900 POTENT INHIBITOR IN THEPRESENCE OF REMARK 900 BENZAMIDINE AT 0.97 A RESOLUTION REMARK 900 RELATED ID: 2BLV RELATED DB: PDB REMARK 900 TRYPSIN BEFORE A HIGH DOSE X-RAY "BURN" REMARK 900 RELATED ID: 2BLW RELATED DB: PDB REMARK 900 TRYPSIN AFTER A HIGH DOSE X-RAY "BURN" REMARK 900 RELATED ID: 2BTC RELATED DB: PDB REMARK 900 BOVINE TRYPSIN IN COMPLEX WITH SQUASH SEED REMARK 900 INHIBITOR (CUCURBITA PEPO TRYPSIN INHIBITOR II) REMARK 900 RELATED ID: 2BY5 RELATED DB: PDB REMARK 900 IS RADIATION DAMAGE DEPENDENT ON THE DOSE- REMARK 900 RATE USED DURING MACROMOLECULAR CRYSTALLOGRAPHY REMARK 900 DATA COLLECTION REMARK 900 RELATED ID: 2BY6 RELATED DB: PDB REMARK 900 IS RADIATION DAMAGE DEPENDENT ON THE DOSE- REMARK 900 RATE USED DURING MACROMOLECULAR CRYSTALLOGRAPHY REMARK 900 DATA COLLECTION REMARK 900 RELATED ID: 2BY7 RELATED DB: PDB REMARK 900 IS RADIATION DAMAGE DEPENDENT ON THE DOSE- REMARK 900 RATE USED DURING MACROMOLECULAR CRYSTALLOGRAPHY REMARK 900 DATA COLLECTION REMARK 900 RELATED ID: 2BY8 RELATED DB: PDB REMARK 900 IS RADIATION DAMAGE DEPENDENT ON THE DOSE- REMARK 900 RATE USED DURING MACROMOLECULAR CRYSTALLOGRAPHY REMARK 900 DATA COLLECTION REMARK 900 RELATED ID: 2BY9 RELATED DB: PDB REMARK 900 IS RADIATION DAMAGE DEPENDENT ON THE DOSE- REMARK 900 RATE USED DURING MACROMOLECULAR CRYSTALLOGRAPHY REMARK 900 DATA COLLECTION REMARK 900 RELATED ID: 2BYA RELATED DB: PDB REMARK 900 IS RADIATION DAMAGE DEPENDENT ON THE DOSE- REMARK 900 RATE USED DURING MACROMOLECULAR CRYSTALLOGRAPHY REMARK 900 DATA COLLECTION REMARK 900 RELATED ID: 2BZA RELATED DB: PDB REMARK 900 BOVINE PANCREAS BETA-TRYPSIN IN COMPLEX WITH REMARK 900 BENZYLAMINE REMARK 900 RELATED ID: 2FI3 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF A BPTI VARIANT (CYS14 REMARK 900 ->SER, CYS38->SER) IN COMPLEX WITH TRYPSIN REMARK 900 RELATED ID: 2FI4 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF A BPTI VARIANT (CYS14 REMARK 900 ->SER) IN COMPLEXWITH TRYPSIN REMARK 900 RELATED ID: 2FI5 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF A BPTI VARIANT (CYS38 REMARK 900 ->SER) IN COMPLEXWITH TRYPSIN REMARK 900 RELATED ID: 2FTL RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF TRYPSIN COMPLEXED WITH REMARK 900 BPTI AT 100K REMARK 900 RELATED ID: 2FTM RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF TRYPSIN COMPLEXED WITH REMARK 900 THE BPTIVARIANT (TYR35->GLY) REMARK 900 RELATED ID: 2FX4 RELATED DB: PDB REMARK 900 BOVINE TRYPSIN BOUND BY 4-PIPERIDINEBUTYRATE REMARK 900 TO MAKEACYLENZYME COMPLEX REMARK 900 RELATED ID: 2FX6 RELATED DB: PDB REMARK 900 BOVINE TRYPSIN COMPLEXED WITH 2- REMARK 900 AMINOBENZAMIDAZOLE REMARK 900 RELATED ID: 2PTC RELATED DB: PDB REMARK 900 BETA-TRYPSIN COMPLEX WITH PANCREATIC TRYPSIN REMARK 900 INHIBITOR REMARK 900 RELATED ID: 2PTN RELATED DB: PDB REMARK 900 TRYPSIN (ORTHORHOMBIC, 2.4 M AMMONIUM REMARK 900 SULFATE) REMARK 900 RELATED ID: 2TGA RELATED DB: PDB REMARK 900 TRYPSINOGEN (2.4 M MAGNESIUM SULFATE) REMARK 900 RELATED ID: 2TGD RELATED DB: PDB REMARK 900 TRYPSINOGEN, DIISOPROPYLPHOSPHORYL INHIBITED REMARK 900 RELATED ID: 2TGP RELATED DB: PDB REMARK 900 TRYPSINOGEN COMPLEX WITH PANCREATIC TRYPSIN REMARK 900 INHIBITOR REMARK 900 RELATED ID: 2TGT RELATED DB: PDB REMARK 900 TRYPSINOGEN (103 DEGREES K, 0.70 METHANOL, REMARK 900 0.30 WATER) REMARK 900 RELATED ID: 2TIO RELATED DB: PDB REMARK 900 LOW PACKING DENSITY FORM OF BOVINE BETA- REMARK 900 TRYPSIN IN CYCLOHEXANE REMARK 900 RELATED ID: 2TLD RELATED DB: PDB REMARK 900 BOVINE TRYPSIN COMPLEX WITH A MODIFIED SSI REMARK 900 (STREPTOMYCES SUBTILISIN INHIBITOR) WITH MET REMARK 900 70 REPLACED BY GLY AND MET 73 REPLACED REMARK 900 BY LYS (SSI(M70G,M73K)) REMARK 900 RELATED ID: 2TPI RELATED DB: PDB REMARK 900 TRYPSINOGEN - PANCREATIC TRYPSIN INHIBITOR - ILE REMARK 900 -VAL COMPLEX (2.4 M MAGNESIUM SULFATE) REMARK 900 RELATED ID: 3BTD RELATED DB: PDB REMARK 900 THE CRYSTAL STRUCTURES OF THE COMPLEXES REMARK 900 BETWEEN THE BOVINE BETA-TRYPSIN AND TEN P1 REMARK 900 VARIANTS OF BPTI. REMARK 900 RELATED ID: 3BTE RELATED DB: PDB REMARK 900 THE CRYSTAL STRUCTURES OF THE COMPLEXES REMARK 900 BETWEEN BOVINE BETA- TRYPSIN AND TEN P1 REMARK 900 VARIANTS OF BPTI. REMARK 900 RELATED ID: 3BTF RELATED DB: PDB REMARK 900 THE CRYSTAL STRUCTURES OF THE COMPLEXES REMARK 900 BETWEEN BOVINE BETA- TRYPSIN AND TEN P1 REMARK 900 VARIANTS OF BPTI. REMARK 900 RELATED ID: 3BTG RELATED DB: PDB REMARK 900 THE CRYSTAL STRUCTURES OF THE COMPLEXES REMARK 900 BETWEEN BOVINE BETA- TRYPSIN AND TEN P1 REMARK 900 VARIANTS OF BPTI REMARK 900 RELATED ID: 3BTH RELATED DB: PDB REMARK 900 THE CRYSTAL STRUCTURES OF THE COMPLEXES REMARK 900 BETWEEN BOVINE BETA- TRYPSIN AND TEN P1 REMARK 900 VARIANTS OF BPTI REMARK 900 RELATED ID: 3BTK RELATED DB: PDB REMARK 900 THE CRYSTAL STRUCTURES OF THE COMPLEXES REMARK 900 BETWEEN BOVINE BETA- TRYPSIN AND TEN P1 REMARK 900 VARIANTS OF BPTI REMARK 900 RELATED ID: 3BTM RELATED DB: PDB REMARK 900 THE CRYSTAL STRUCTURES OF THE COMPLEXES REMARK 900 BETWEEN BOVINE BETA- TRYPSIN AND TEN P1 REMARK 900 VARIANTS OF BPTI REMARK 900 RELATED ID: 3BTQ RELATED DB: PDB REMARK 900 THE CRYSTAL STRUCTURES OF THE COMPLEXES REMARK 900 BETWEEN BOVINE BETA- TRYPSIN AND TEN P1 REMARK 900 VARIANTS OF BPTI REMARK 900 RELATED ID: 3BTT RELATED DB: PDB REMARK 900 THE CRYSTAL STRUCTURES OF THE COMPLEXES REMARK 900 BETWEEN BOVINE BETA- TRYPSIN AND TEN P1 REMARK 900 VARIANTS OF BPTI REMARK 900 RELATED ID: 3BTW RELATED DB: PDB REMARK 900 THE CRYSTAL STRUCTURES OF THE COMPLEXES REMARK 900 BETWEEN BOVINE BETA- TRYPSIN AND TEN P1 REMARK 900 VARIANTS OF BPTI REMARK 900 RELATED ID: 3PTB RELATED DB: PDB REMARK 900 BETA-TRYPSIN (BENZAMIDINE INHIBITED) AT PH7 REMARK 900 RELATED ID: 3PTN RELATED DB: PDB REMARK 900 TRYPSIN (TRIGONAL, 2.4 M AMMONIUM SULFATE) REMARK 900 RELATED ID: 3TPI RELATED DB: PDB REMARK 900 TRYPSINOGEN COMPLEX WITH PANCREATIC TRYPSIN REMARK 900 INHIBITOR AND ILE-VAL REMARK 900 RELATED ID: 4TPI RELATED DB: PDB REMARK 900 TRYPSINOGEN COMPLEX WITH THE ARG==15==- REMARK 900 ANALOGUE OF PANCREATIC TRYPSIN INHIBITOR AND REMARK 900 VAL-VAL REMARK 900 RELATED ID: 5PTP RELATED DB: PDB REMARK 900 STRUCTURE OF HYDROLASE (SERINE PROTEINASE) REMARK 999 REMARK 999 SEQUENCE REMARK 999 VERONICA HEDERIFOLIA TRYPSIN INHIBITOR SEQUENCE IS NOT REMARK 999 PRESENT IN ANY SEQUENCE DATABASE. WE WILL SUBMIT THE REMARK 999 SEQUENCE ON PUBLICATION. DBREF 2CMY A 16 245 UNP P00760 TRY1_BOVIN 21 243 DBREF 2CMY B 1 34 PDB 2CMY 2CMY 1 34 SEQRES 1 A 223 ILE VAL GLY GLY TYR THR CYS GLY ALA ASN THR VAL PRO SEQRES 2 A 223 TYR GLN VAL SER LEU ASN SER GLY TYR HIS PHE CYS GLY SEQRES 3 A 223 GLY SER LEU ILE ASN SER GLN TRP VAL VAL SER ALA ALA SEQRES 4 A 223 HIS CYS TYR LYS SER GLY ILE GLN VAL ARG LEU GLY GLU SEQRES 5 A 223 ASP ASN ILE ASN VAL VAL GLU GLY ASN GLU GLN PHE ILE SEQRES 6 A 223 SER ALA SER LYS SER ILE VAL HIS PRO SER TYR ASN SER SEQRES 7 A 223 ASN THR LEU ASN ASN ASP ILE MET LEU ILE LYS LEU LYS SEQRES 8 A 223 SER ALA ALA SER LEU ASN SER ARG VAL ALA SER ILE SER SEQRES 9 A 223 LEU PRO THR SER CYS ALA SER ALA GLY THR GLN CYS LEU SEQRES 10 A 223 ILE SER GLY TRP GLY ASN THR LYS SER SER GLY THR SER SEQRES 11 A 223 TYR PRO ASP VAL LEU LYS CYS LEU LYS ALA PRO ILE LEU SEQRES 12 A 223 SER ASP SER SER CYS LYS SER ALA TYR PRO GLY GLN ILE SEQRES 13 A 223 THR SER ASN MET PHE CYS ALA GLY TYR LEU GLU GLY GLY SEQRES 14 A 223 LYS ASP SER CYS GLN GLY ASP SER GLY GLY PRO VAL VAL SEQRES 15 A 223 CYS SER GLY LYS LEU GLN GLY ILE VAL SER TRP GLY SER SEQRES 16 A 223 GLY CYS ALA GLN LYS ASN LYS PRO GLY VAL TYR THR LYS SEQRES 17 A 223 VAL CYS ASN TYR VAL SER TRP ILE LYS GLN THR ILE ALA SEQRES 18 A 223 SER ASN SEQRES 1 B 34 ASN THR ASP PRO GLU GLN CYS LYS VAL MET CYS TYR ALA SEQRES 2 B 34 GLN ARG HIS SER SER PRO GLU LEU LEU ARG ARG CYS LEU SEQRES 3 B 34 ASP ASN CYS GLU LYS GLU HIS ASP HET SO4 A1246 5 HET SO4 A1247 5 HET CA A1248 1 HET GOL A1249 6 HETNAM SO4 SULFATE ION HETNAM GOL GLYCEROL HETNAM CA CALCIUM ION FORMUL 3 SO4 2(O4 S 2-) FORMUL 4 GOL C3 H8 O3 FORMUL 5 CA CA 2+ FORMUL 6 HOH *110(H2 O1) HELIX 1 1 ALA A 55 TYR A 59 5 5 HELIX 2 2 SER A 164 TYR A 172 1 9 HELIX 3 3 VAL A 231 ASN A 233 5 3 HELIX 4 4 TYR A 234 ASN A 245 1 12 HELIX 5 5 CYS B 7 GLN B 14 1 8 HELIX 6 6 PRO B 19 CYS B 29 1 11 SHEET 1 AA 7 TYR A 20 THR A 21 0 SHEET 2 AA 7 LYS A 156 PRO A 161 -1 O CYS A 157 N TYR A 20 SHEET 3 AA 7 GLN A 135 GLY A 140 -1 O CYS A 136 N ALA A 160 SHEET 4 AA 7 PRO A 198 CYS A 201 -1 O PRO A 198 N SER A 139 SHEET 5 AA 7 LYS A 204 TRP A 215 -1 O LYS A 204 N CYS A 201 SHEET 6 AA 7 GLY A 226 THR A 229 -1 O VAL A 227 N TRP A 215 SHEET 7 AA 7 MET A 180 ALA A 183 -1 O PHE A 181 N TYR A 228 SHEET 1 AB 7 GLN A 30 ASN A 34 0 SHEET 2 AB 7 HIS A 40 ASN A 48 -1 N PHE A 41 O LEU A 33 SHEET 3 AB 7 TRP A 51 SER A 54 -1 O TRP A 51 N ILE A 47 SHEET 4 AB 7 MET A 104 LEU A 108 -1 O MET A 104 N SER A 54 SHEET 5 AB 7 GLN A 81 VAL A 90 -1 N SER A 86 O LYS A 107 SHEET 6 AB 7 GLN A 64 LEU A 67 -1 O VAL A 65 N ILE A 83 SHEET 7 AB 7 GLN A 30 ASN A 34 -1 O SER A 32 N ARG A 66 SSBOND 1 CYS A 22 CYS A 157 1555 1555 2.08 SSBOND 2 CYS A 42 CYS A 58 1555 1555 2.02 SSBOND 3 CYS A 128 CYS A 232 1555 1555 2.05 SSBOND 4 CYS A 136 CYS A 201 1555 1555 2.01 SSBOND 5 CYS A 168 CYS A 182 1555 1555 2.08 SSBOND 6 CYS A 191 CYS A 220 1555 1555 2.10 SSBOND 7 CYS B 7 CYS B 29 1555 1555 2.08 SSBOND 8 CYS B 11 CYS B 25 1555 1555 2.08 LINK CA CA A1248 O VAL A 75 1555 1555 2.23 LINK CA CA A1248 O HOH A2032 1555 1555 2.39 LINK CA CA A1248 OE1 GLU A 70 1555 1555 2.38 LINK CA CA A1248 O ASN A 72 1555 1555 2.26 LINK CA CA A1248 O HOH A2027 1555 1555 2.66 LINK CA CA A1248 OE2 GLU A 80 1555 1555 2.43 SITE 1 AC1 5 ARG A 66 SER A 166 SER A 167 SER A 170 SITE 2 AC1 5 HOH A2103 SITE 1 AC2 4 LYS A 169 PRO A 173 GLY A 174 HOH A2104 SITE 1 AC3 5 GLU A 70 ASN A 72 GLU A 80 HOH A2027 SITE 2 AC3 5 HOH A2032 SITE 1 AC4 2 ASP A 153 LYS A 156 CRYST1 60.657 63.928 71.698 90.00 90.00 90.00 P 21 21 21 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.016486 0.000000 0.000000 0.00000 SCALE2 0.000000 0.015643 0.000000 0.00000 SCALE3 0.000000 0.000000 0.013947 0.00000