HEADER RECEPTOR 28-JAN-97 1NGR TITLE DEATH DOMAIN OF P75 LOW AFFINITY NEUROTROPHIN RECEPTOR, TITLE 2 RESIDUES 334-418, NMR, 20 STRUCTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: P75 LOW AFFINITY NEUROTROPHIN RECEPTOR; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: DEATH DOMAIN, RESIDUES 281 - 425; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: RAT; SOURCE 4 CELL: NERVE CELLS; SOURCE 5 CELLULAR_LOCATION: CYTOPLASM; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: M15-(PREP4); SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PQE31 KEYWDS RECEPTOR, P75, INTRACELLULAR DOMAIN, NEUROTROPHIN RECEPTOR, KEYWDS 2 DEATH DOMAIN EXPDTA NMR, 20 STRUCTURES AUTHOR G.OTTING,E.LIEPINSH REVDAT 1 29-JUL-97 1NGR 0 JRNL AUTH E.LIEPINSH,L.L.ILAG,G.OTTING,C.F.IBANEZ JRNL TITL NMR STRUCTURE OF THE DEATH DOMAIN OF THE P75 JRNL TITL 2 NEUROTROPHIN RECEPTOR. JRNL REF EMBO J. V. 16 4999 1997 JRNL REFN ASTM EMJODG UK ISSN 0261-4189 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : OPAL REMARK 3 AUTHORS : LUGINBUHL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: DIANA MINIMIZATION TO TARGET REMARK 3 FUNCTION LESS THAN 1, RESTRAINED ENERGY MINIMIZATION USING OPAL REMARK 4 REMARK 4 1NGR COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 REMARK 4 REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. REMARK 4 REMEDIATED DATA FILE REVISION 3.100 (2007-03-17) REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 301 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, COSY, TOCSY, 3D NOESY- REMARK 210 15N-HSQC, 3D TOCSY-HSQC, 3D REMARK 210 HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : DMX800, DMX600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : EASY, HABAS, DIANA, OPAL REMARK 210 METHOD USED : VARIABLE TARGET FUNCTION REMARK 210 (DIANA) APPROACH REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST TARGET FUNCTION AFTER REMARK 210 DIANA REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: DISTANCE CONSTRAINTS FROM 3D NOESY-15N-HSQC AND 2D REMARK 210 NOESY, COUPLING CONSTANTS FROM 3D HNHA-EXPERIMENT, 2QF-COSY, REMARK 210 AND 15N-HSQC. A 15N-LABELED SAMPLE OF P75ICD WAS USED. REMARK 210 CONSTRAINTS USED: 914 UPPER DISTANCE LIMITS FROM NOE DATA 154 REMARK 210 COUPLING CONSTANTS CONSTRAINING DIHEDRAL ANGLES IONIC_ REMARK 210 STRENGTH: NO SALT ADDED PRESSURE: 1 ATM SOLVENT SYSTEM: 90% REMARK 210 H2O/10% D2O REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. 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, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 2 GLU A 413 CB - CA - C ANGL. DEV. = 17.5 DEGREES REMARK 500 10 GLU A 413 CB - CA - C ANGL. DEV. = 15.6 DEGREES REMARK 500 17 GLU A 413 CB - CA - C ANGL. DEV. = 14.8 DEGREES REMARK 500 19 GLU A 413 CB - CA - C ANGL. DEV. = 15.8 DEGREES 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 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 M RES CSSEQI PSI PHI REMARK 500 3 SER A 393 -29.79 148.40 REMARK 500 3 SER A 417 -61.12 137.27 REMARK 500 6 SER A 393 -5.31 134.89 REMARK 500 6 SER A 417 -62.21 58.01 REMARK 500 9 SER A 393 -4.97 135.73 REMARK 500 10 SER A 393 -16.98 145.68 REMARK 500 12 SER A 393 10.93 110.15 REMARK 500 15 SER A 393 -12.92 138.65 REMARK 500 17 SER A 393 2.46 124.97 REMARK 500 17 SER A 417 -31.36 58.89 REMARK 500 18 SER A 393 -10.78 134.31 REMARK 500 20 SER A 393 -10.19 135.34 DBREF 1NGR A 334 418 UNP P07174 TNR16_RAT 334 418 SEQRES 1 A 85 GLY ASN LEU TYR SER SER LEU PRO LEU THR LYS ARG GLU SEQRES 2 A 85 GLU VAL GLU LYS LEU LEU ASN GLY ASP THR TRP ARG HIS SEQRES 3 A 85 LEU ALA GLY GLU LEU GLY TYR GLN PRO GLU HIS ILE ASP SEQRES 4 A 85 SER PHE THR HIS GLU ALA CYS PRO VAL ARG ALA LEU LEU SEQRES 5 A 85 ALA SER TRP GLY ALA GLN ASP SER ALA THR LEU ASP ALA SEQRES 6 A 85 LEU LEU ALA ALA LEU ARG ARG ILE GLN ARG ALA ASP ILE SEQRES 7 A 85 VAL GLU SER LEU CYS SER GLU HELIX 1 A1 THR A 343 LEU A 351 5 9 HELIX 2 A2 THR A 356 GLU A 363 1 8 HELIX 3 A3 PRO A 368 THR A 375 1 8 HELIX 4 A4 PRO A 380 ALA A 390 1 11 HELIX 5 A5 LEU A 396 ARG A 405 1 10 HELIX 6 A6 ALA A 409 CYS A 416 1 8 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1