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HEADER APOPTOSIS 20-JUL-99 1C15 TITLE SOLUTION STRUCTURE OF APAF-1 CARD COMPND MOL_ID: 1; COMPND 2 MOLECULE: APOPTOTIC PROTEASE ACTIVATING FACTOR 1; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: CASPASE RECRUITMENT DOMAIN; COMPND 5 SYNONYM: APAF-1 CARD; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_COMMON: BACTERIA; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PGEX-2T KEYWDS PROGRAMMED CELL DEATH, APAF, CARD, DED, DD, CASPASE KEYWDS 2 RECRUITMENT DOMAIN, HOMOPHILIC INTERACTION EXPDTA NMR, 16 STRUCTURES AUTHOR P.ZHOU,J.CHOU,R.S.OLEA,J.YUAN,G.WAGNER REVDAT 3 05-APR-00 1C15 1 JRNL REVDAT 2 04-OCT-99 1C15 1 COMPND REVDAT 1 20-SEP-99 1C15 0 JRNL AUTH P.ZHOU,J.CHOU,R.S.OLEA,J.YUAN,G.WAGNER JRNL TITL SOLUTION STRUCTURE OF APAF-1 CARD AND ITS JRNL TITL 2 INTERACTION WITH CASPASE-9 CARD: A STRUCTURAL JRNL TITL 3 BASIS FOR SPECIFIC ADAPTOR/CASPASE INTERACTION. JRNL REF PROC.NATL.ACAD.SCI.USA V. 96 11265 1999 JRNL REFN ASTM PNASA6 US ISSN 0027-8424 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1C15 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 (2007-03-16) REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB . REMARK 100 THE RCSB ID CODE IS RCSB009364. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 1 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1MM 15N LABELED APAF-1 CARD, REMARK 210 20 MM PHOSPHATE BUFFER, 50 MM REMARK 210 NACL; 1MM 13C LABELED APAF-1 REMARK 210 CARD, 20 MM PHOSPHATE BUFFER, REMARK 210 50 MM NACL; 1MM NON-LABELED REMARK 210 APAF-1 CARD, 20 MM PHOSPHATE REMARK 210 BUFFER, 50 MM NACL; 1MM 13C, REMARK 210 15N LABELED, 80%DEUTERATED REMARK 210 APAF-1 CARD, 20 MM PHOSPHATE REMARK 210 BUFFER, 50 MM NACL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, 3D_ REMARK 210 13C-SEPARATED_NOESY, 2D NOESY, REMARK 210 HMQC-J REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ, 600 MHZ, 500 MHZ REMARK 210 SPECTROMETER MODEL : INOVA, DMX REMARK 210 SPECTROMETER MANUFACTURER : VARIAN, BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA 1.5 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 30 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 16 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY. 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 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,2(A3,1X,A1,I4,A1,1X,A4,3X),F6.3) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 16 MET A 1 CB MET A 1 CG -0.474 REMARK 500 16 MET A 1 CG MET A 1 SD -0.643 REMARK 500 16 MET A 1 SD MET A 1 CE -1.137 REMARK 500 16 ASP A 2 CG ASP A 2 OD1 -0.526 REMARK 500 16 ASP A 2 CG ASP A 2 OD2 -0.642 REMARK 500 16 LYS A 4 CD LYS A 4 CE -0.807 REMARK 500 16 LYS A 4 CE LYS A 4 NZ -0.930 REMARK 500 16 ARG A 6 CD ARG A 6 NE -0.691 REMARK 500 16 ARG A 6 CZ ARG A 6 NH1 -0.944 REMARK 500 16 ARG A 6 CZ ARG A 6 NH2 -0.664 REMARK 500 16 ASN A 7 CG ASN A 7 OD1 -0.579 REMARK 500 16 ASN A 7 CG ASN A 7 ND2 -0.592 REMARK 500 16 GLN A 11 CD GLN A 11 OE1 -0.481 REMARK 500 16 GLN A 11 CD GLN A 11 NE2 -0.631 REMARK 500 16 HIS A 12 CE1 HIS A 12 NE2 -0.519 REMARK 500 16 ARG A 13 NE ARG A 13 CZ -0.487 REMARK 500 16 ARG A 13 CZ ARG A 13 NH1 -0.926 REMARK 500 16 GLU A 14 CD GLU A 14 OE1 -0.691 REMARK 500 16 GLU A 14 CD GLU A 14 OE2 -0.643 REMARK 500 16 LEU A 16 CG LEU A 16 CD1 -0.737 REMARK 500 16 LEU A 16 CG LEU A 16 CD2 -0.801 REMARK 500 16 GLU A 17 CD GLU A 17 OE1 -0.699 REMARK 500 16 GLU A 17 CD GLU A 17 OE2 -0.636 REMARK 500 16 LYS A 18 CE LYS A 18 NZ -0.489 REMARK 500 16 ASP A 19 CG ASP A 19 OD1 -0.589 REMARK 500 16 ASP A 19 CG ASP A 19 OD2 -0.523 REMARK 500 16 LYS A 21 CD LYS A 21 CE -0.587 REMARK 500 16 LYS A 21 CE LYS A 21 NZ -0.592 REMARK 500 16 SER A 23 CB SER A 23 OG -0.637 REMARK 500 16 TYR A 24 CG TYR A 24 CD2 -0.684 REMARK 500 16 TYR A 24 CG TYR A 24 CD1 -0.688 REMARK 500 16 TYR A 24 CE1 TYR A 24 CZ -0.672 REMARK 500 16 TYR A 24 CZ TYR A 24 CE2 -0.676 REMARK 500 16 MET A 26 CG MET A 26 SD -0.673 REMARK 500 16 MET A 26 SD MET A 26 CE -0.602 REMARK 500 16 ASP A 27 CG ASP A 27 OD1 -0.608 REMARK 500 16 ASP A 27 CG ASP A 27 OD2 -0.571 REMARK 500 16 HIS A 28 CG HIS A 28 ND1 -0.580 REMARK 500 16 HIS A 28 CE1 HIS A 28 NE2 -1.048 REMARK 500 16 MET A 29 CG MET A 29 SD -0.658 REMARK 500 16 MET A 29 SD MET A 29 CE -1.491 REMARK 500 16 ASP A 32 CG ASP A 32 OD1 -0.514 REMARK 500 16 ASP A 32 CG ASP A 32 OD2 -0.573 REMARK 500 16 PHE A 34 CG PHE A 34 CD2 -0.671 REMARK 500 16 PHE A 34 CG PHE A 34 CD1 -0.662 REMARK 500 16 PHE A 34 CE1 PHE A 34 CZ -0.673 REMARK 500 16 PHE A 34 CZ PHE A 34 CE2 -0.665 REMARK 500 16 LEU A 35 CG LEU A 35 CD1 -0.915 REMARK 500 16 LEU A 35 CG LEU A 35 CD2 -0.854 REMARK 500 16 GLU A 40 CG GLU A 40 CD -0.667 REMARK 500 16 GLU A 40 CD GLU A 40 OE1 -1.135 REMARK 500 16 GLU A 40 CD GLU A 40 OE2 -0.698 REMARK 500 16 GLU A 41 CD GLU A 41 OE1 -0.566 REMARK 500 16 GLU A 41 CD GLU A 41 OE2 -0.752 REMARK 500 16 ARG A 44 CD ARG A 44 NE -0.680 REMARK 500 16 ARG A 44 CZ ARG A 44 NH1 -0.757 REMARK 500 16 ARG A 44 CZ ARG A 44 NH2 -0.651 REMARK 500 16 ASN A 45 CG ASN A 45 OD1 -0.599 REMARK 500 16 ASN A 45 CG ASN A 45 ND2 -0.475 REMARK 500 16 GLU A 46 CG GLU A 46 CD -0.858 REMARK 500 16 GLU A 46 CD GLU A 46 OE1 -0.966 REMARK 500 16 GLU A 46 CD GLU A 46 OE2 -0.807 REMARK 500 16 GLN A 49 CD GLN A 49 OE1 -0.631 REMARK 500 16 GLN A 49 CD GLN A 49 NE2 -0.777 REMARK 500 16 GLN A 50 CB GLN A 50 CG -0.811 REMARK 500 16 GLN A 50 CG GLN A 50 CD -0.500 REMARK 500 16 GLN A 50 CD GLN A 50 OE1 -0.781 REMARK 500 16 GLN A 51 CD GLN A 51 OE1 -0.613 REMARK 500 16 GLN A 51 CD GLN A 51 NE2 -0.581 REMARK 500 16 ARG A 52 CD ARG A 52 NE -0.641 REMARK 500 16 ARG A 52 CZ ARG A 52 NH1 -0.568 REMARK 500 16 ARG A 52 CZ ARG A 52 NH2 -0.623 REMARK 500 16 MET A 55 CG MET A 55 SD -0.558 REMARK 500 16 MET A 55 SD MET A 55 CE -0.769 REMARK 500 16 LYS A 58 CD LYS A 58 CE -0.544 REMARK 500 16 LYS A 58 CE LYS A 58 NZ -0.555 REMARK 500 16 MET A 59 CG MET A 59 SD -0.800 REMARK 500 16 MET A 59 SD MET A 59 CE -0.584 REMARK 500 16 LYS A 62 CD LYS A 62 CE -0.641 REMARK 500 16 LYS A 62 CE LYS A 62 NZ -0.528 REMARK 500 16 LYS A 63 CG LYS A 63 CD -0.957 REMARK 500 16 LYS A 63 CE LYS A 63 NZ -0.824 REMARK 500 16 ASP A 64 CG ASP A 64 OD1 -0.930 REMARK 500 16 ASP A 64 CG ASP A 64 OD2 -0.610 REMARK 500 16 ASP A 66 CG ASP A 66 OD1 -0.621 REMARK 500 16 ASP A 66 CG ASP A 66 OD2 -0.670 REMARK 500 16 TYR A 68 CG TYR A 68 CD2 -0.682 REMARK 500 16 TYR A 68 CG TYR A 68 CD1 -0.686 REMARK 500 16 TYR A 68 CE1 TYR A 68 CZ -0.673 REMARK 500 16 TYR A 68 CZ TYR A 68 CE2 -0.678 REMARK 500 16 PHE A 71 CG PHE A 71 CD2 -0.705 REMARK 500 16 PHE A 71 CG PHE A 71 CD1 -0.655 REMARK 500 16 PHE A 71 CE1 PHE A 71 CZ -0.705 REMARK 500 16 PHE A 71 CZ PHE A 71 CE2 -0.654 REMARK 500 16 TYR A 72 CG TYR A 72 CD2 -0.646 REMARK 500 16 TYR A 72 CG TYR A 72 CD1 -0.653 REMARK 500 16 TYR A 72 CE1 TYR A 72 CZ -0.635 REMARK 500 16 TYR A 72 CZ TYR A 72 CE2 -0.642 REMARK 500 16 ASN A 73 CG ASN A 73 ND2 -0.518 REMARK 500 16 HIS A 77 CG HIS A 77 ND1 -0.537 REMARK 500 16 HIS A 77 CE1 HIS A 77 NE2 -0.950 REMARK 500 16 GLU A 78 CD GLU A 78 OE1 -0.546 REMARK 500 16 GLU A 78 CD GLU A 78 OE2 -0.482 REMARK 500 16 TYR A 80 CG TYR A 80 CD2 -0.691 REMARK 500 16 TYR A 80 CG TYR A 80 CD1 -0.685 REMARK 500 16 TYR A 80 CE1 TYR A 80 CZ -0.679 REMARK 500 16 TYR A 80 CZ TYR A 80 CE2 -0.673 REMARK 500 16 LYS A 81 CD LYS A 81 CE -0.784 REMARK 500 16 ASP A 82 CG ASP A 82 OD1 -0.649 REMARK 500 16 ASP A 82 CG ASP A 82 OD2 -0.634 REMARK 500 16 LEU A 83 CG LEU A 83 CD1 -0.711 REMARK 500 16 LEU A 83 CG LEU A 83 CD2 -0.560 REMARK 500 16 LEU A 86 CG LEU A 86 CD1 -0.670 REMARK 500 16 LEU A 86 CG LEU A 86 CD2 -0.711 REMARK 500 16 HIS A 88 CG HIS A 88 ND1 -0.595 REMARK 500 16 HIS A 88 CE1 HIS A 88 NE2 -0.999 REMARK 500 16 ASP A 89 CG ASP A 89 OD1 -0.579 REMARK 500 16 ASP A 89 CG ASP A 89 OD2 -0.563 REMARK 500 16 SER A 95 CA SER A 95 CB -0.766 REMARK 500 16 SER A 95 C SER A 95 O -0.497 REMARK 500 16 SER A 96 CA SER A 96 CB -0.983 REMARK 500 16 SER A 96 CB SER A 96 OG -0.843 REMARK 500 16 SER A 96 CA SER A 96 C -0.930 REMARK 500 16 SER A 96 C SER A 96 O -0.623 REMARK 500 16 SER A 95 C SER A 96 N -0.839 REMARK 500 16 SER A 97 N SER A 97 CA -0.876 REMARK 500 16 SER A 97 CA SER A 97 CB -1.265 REMARK 500 16 SER A 97 CB SER A 97 OG -0.918 REMARK 500 16 SER A 97 CA SER A 97 C -0.579 REMARK 500 16 SER A 97 C SER A 97 O -0.948 REMARK 500 16 SER A 96 C SER A 97 N -0.647 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 16 ASP A 2 OD1 - CG - OD2 ANGL. DEV. =-45.7 DEGREES REMARK 500 16 LYS A 4 CG - CD - CE ANGL. DEV. = 38.2 DEGREES REMARK 500 16 LYS A 4 CD - CE - NZ ANGL. DEV. = 59.2 DEGREES REMARK 500 16 ARG A 6 NH1 - CZ - NH2 ANGL. DEV. =-60.3 DEGREES REMARK 500 16 ARG A 6 NE - CZ - NH2 ANGL. DEV. = 38.9 DEGREES REMARK 500 16 ASN A 7 OD1 - CG - ND2 ANGL. DEV. =-71.8 DEGREES REMARK 500 16 ASN A 7 CB - CG - ND2 ANGL. DEV. = 38.8 DEGREES REMARK 500 16 GLN A 11 OE1 - CD - NE2 ANGL. DEV. =-53.7 DEGREES REMARK 500 16 ARG A 13 NE - CZ - NH1 ANGL. DEV. =-47.1 DEGREES REMARK 500 16 ARG A 13 NE - CZ - NH2 ANGL. DEV. = 38.3 DEGREES REMARK 500 16 GLU A 14 OE1 - CD - OE2 ANGL. DEV. =-92.5 DEGREES REMARK 500 16 GLU A 14 CG - CD - OE1 ANGL. DEV. = 45.8 DEGREES REMARK 500 16 GLU A 14 CG - CD - OE2 ANGL. DEV. = 47.0 DEGREES REMARK 500 16 LEU A 16 CD1 - CG - CD2 ANGL. DEV. =-39.2 DEGREES REMARK 500 16 GLU A 17 OE1 - CD - OE2 ANGL. DEV. =-89.3 DEGREES REMARK 500 16 GLU A 17 CG - CD - OE1 ANGL. DEV. = 43.8 DEGREES REMARK 500 16 GLU A 17 CG - CD - OE2 ANGL. DEV. = 45.8 DEGREES REMARK 500 16 ASP A 19 OD1 - CG - OD2 ANGL. DEV. =-51.0 DEGREES REMARK 500 16 TYR A 24 CB - CG - CD2 ANGL. DEV. = 52.2 DEGREES REMARK 500 16 TYR A 24 CD1 - CG - CD2 ANGL. DEV. =-105.0 DEGREES REMARK 500 16 TYR A 24 CB - CG - CD1 ANGL. DEV. = 53.1 DEGREES REMARK 500 16 TYR A 24 CG - CD1 - CE1 ANGL. DEV. = 52.2 DEGREES REMARK 500 16 TYR A 24 CG - CD2 - CE2 ANGL. DEV. = 52.3 DEGREES REMARK 500 16 TYR A 24 CD1 - CE1 - CZ ANGL. DEV. = 53.9 DEGREES REMARK 500 16 TYR A 24 OH - CZ - CE2 ANGL. DEV. = 53.6 DEGREES REMARK 500 16 TYR A 24 CE1 - CZ - OH ANGL. DEV. = 53.6 DEGREES REMARK 500 16 TYR A 24 CE1 - CZ - CE2 ANGL. DEV. =-107.3 DEGREES REMARK 500 16 TYR A 24 CZ - CE2 - CD2 ANGL. DEV. = 53.9 DEGREES REMARK 500 16 MET A 26 CG - SD - CE ANGL. DEV. = 42.1 DEGREES REMARK 500 16 ASP A 27 OD1 - CG - OD2 ANGL. DEV. =-56.6 DEGREES REMARK 500 16 HIS A 28 CB - CG - CD2 ANGL. DEV. = 36.9 DEGREES REMARK 500 16 HIS A 28 ND1 - CG - CD2 ANGL. DEV. =-78.6 DEGREES REMARK 500 16 HIS A 28 CB - CG - ND1 ANGL. DEV. = 41.8 DEGREES REMARK 500 16 HIS A 28 CG - ND1 - CE1 ANGL. DEV. = 52.4 DEGREES REMARK 500 16 HIS A 28 CE1 - NE2 - CD2 ANGL. DEV. =-42.5 DEGREES REMARK 500 16 HIS A 28 CG - CD2 - NE2 ANGL. DEV. = 56.6 DEGREES REMARK 500 16 MET A 29 CG - SD - CE ANGL. DEV. =-67.4 DEGREES REMARK 500 16 ASP A 32 OD1 - CG - OD2 ANGL. DEV. =-42.8 DEGREES REMARK 500 16 PHE A 34 CB - CG - CD2 ANGL. DEV. = 45.5 DEGREES REMARK 500 16 PHE A 34 CD1 - CG - CD2 ANGL. DEV. =-92.0 DEGREES REMARK 500 16 PHE A 34 CB - CG - CD1 ANGL. DEV. = 46.6 DEGREES REMARK 500 16 PHE A 34 CG - CD1 - CE1 ANGL. DEV. = 46.0 DEGREES REMARK 500 16 PHE A 34 CG - CD2 - CE2 ANGL. DEV. = 46.1 DEGREES REMARK 500 16 PHE A 34 CD1 - CE1 - CZ ANGL. DEV. = 46.6 DEGREES REMARK 500 16 PHE A 34 CE1 - CZ - CE2 ANGL. DEV. =-93.3 DEGREES REMARK 500 16 PHE A 34 CZ - CE2 - CD2 ANGL. DEV. = 46.7 DEGREES REMARK 500 16 LEU A 35 CD1 - CG - CD2 ANGL. DEV. =-66.2 DEGREES REMARK 500 16 LEU A 35 CB - CG - CD1 ANGL. DEV. = 42.1 DEGREES REMARK 500 16 LEU A 35 CB - CG - CD2 ANGL. DEV. = 44.2 DEGREES REMARK 500 16 GLU A 40 OE1 - CD - OE2 ANGL. DEV. =-77.4 DEGREES REMARK 500 16 GLU A 40 CG - CD - OE2 ANGL. DEV. = 54.2 DEGREES REMARK 500 16 GLU A 41 OE1 - CD - OE2 ANGL. DEV. =-84.1 DEGREES REMARK 500 16 GLU A 41 CG - CD - OE1 ANGL. DEV. = 45.3 DEGREES REMARK 500 16 GLU A 41 CG - CD - OE2 ANGL. DEV. = 39.0 DEGREES REMARK 500 16 ASN A 45 OD1 - CG - ND2 ANGL. DEV. =-42.7 DEGREES REMARK 500 16 GLU A 46 CB - CG - CD ANGL. DEV. = 43.0 DEGREES REMARK 500 16 GLN A 49 OE1 - CD - NE2 ANGL. DEV. =-61.5 DEGREES REMARK 500 16 GLN A 51 OE1 - CD - NE2 ANGL. DEV. =-71.1 DEGREES REMARK 500 16 GLN A 51 CG - CD - NE2 ANGL. DEV. = 39.3 DEGREES REMARK 500 16 ARG A 52 NH1 - CZ - NH2 ANGL. DEV. =-52.4 DEGREES REMARK 500 16 LYS A 58 CG - CD - CE ANGL. DEV. = 36.5 DEGREES REMARK 500 16 MET A 59 CG - SD - CE ANGL. DEV. = 41.3 DEGREES REMARK 500 16 LYS A 63 CB - CG - CD ANGL. DEV. = 52.4 DEGREES REMARK 500 16 LYS A 63 CG - CD - CE ANGL. DEV. = 55.2 DEGREES REMARK 500 16 ASP A 64 OD1 - CG - OD2 ANGL. DEV. =-112.0 DEGREES REMARK 500 16 ASP A 64 CB - CG - OD1 ANGL. DEV. = 54.3 DEGREES REMARK 500 16 ASP A 64 CB - CG - OD2 ANGL. DEV. = 57.9 DEGREES REMARK 500 16 ASN A 65 OD1 - CG - ND2 ANGL. DEV. =-40.7 DEGREES REMARK 500 16 ASP A 66 OD1 - CG - OD2 ANGL. DEV. =-84.7 DEGREES REMARK 500 16 ASP A 66 CB - CG - OD1 ANGL. DEV. = 43.3 DEGREES REMARK 500 16 ASP A 66 CB - CG - OD2 ANGL. DEV. = 41.7 DEGREES REMARK 500 16 TYR A 68 CB - CG - CD2 ANGL. DEV. = 52.8 DEGREES REMARK 500 16 TYR A 68 CD1 - CG - CD2 ANGL. DEV. =-105.7 DEGREES REMARK 500 16 TYR A 68 CB - CG - CD1 ANGL. DEV. = 53.2 DEGREES REMARK 500 16 TYR A 68 CG - CD1 - CE1 ANGL. DEV. = 52.5 DEGREES REMARK 500 16 TYR A 68 CG - CD2 - CE2 ANGL. DEV. = 52.7 DEGREES REMARK 500 16 TYR A 68 CD1 - CE1 - CZ ANGL. DEV. = 54.2 DEGREES REMARK 500 16 TYR A 68 OH - CZ - CE2 ANGL. DEV. = 53.9 DEGREES REMARK 500 16 TYR A 68 CE1 - CZ - OH ANGL. DEV. = 53.8 DEGREES REMARK 500 16 TYR A 68 CE1 - CZ - CE2 ANGL. DEV. =-107.9 DEGREES REMARK 500 16 TYR A 68 CZ - CE2 - CD2 ANGL. DEV. = 54.2 DEGREES REMARK 500 16 PHE A 71 CB - CG - CD2 ANGL. DEV. = 53.0 DEGREES REMARK 500 16 PHE A 71 CD1 - CG - CD2 ANGL. DEV. =-106.2 DEGREES REMARK 500 16 PHE A 71 CB - CG - CD1 ANGL. DEV. = 53.3 DEGREES REMARK 500 16 PHE A 71 CG - CD1 - CE1 ANGL. DEV. = 53.4 DEGREES REMARK 500 16 PHE A 71 CG - CD2 - CE2 ANGL. DEV. = 52.8 DEGREES REMARK 500 16 PHE A 71 CD1 - CE1 - CZ ANGL. DEV. = 53.6 DEGREES REMARK 500 16 PHE A 71 CE1 - CZ - CE2 ANGL. DEV. =-107.7 DEGREES REMARK 500 16 PHE A 71 CZ - CE2 - CD2 ANGL. DEV. = 54.1 DEGREES REMARK 500 16 TYR A 72 CB - CG - CD2 ANGL. DEV. = 40.1 DEGREES REMARK 500 16 TYR A 72 CD1 - CG - CD2 ANGL. DEV. =-79.9 DEGREES REMARK 500 16 TYR A 72 CB - CG - CD1 ANGL. DEV. = 40.1 DEGREES REMARK 500 16 TYR A 72 CG - CD1 - CE1 ANGL. DEV. = 39.6 DEGREES REMARK 500 16 TYR A 72 CG - CD2 - CE2 ANGL. DEV. = 39.8 DEGREES REMARK 500 16 TYR A 72 CD1 - CE1 - CZ ANGL. DEV. = 41.4 DEGREES REMARK 500 16 TYR A 72 OH - CZ - CE2 ANGL. DEV. = 40.9 DEGREES REMARK 500 16 TYR A 72 CE1 - CZ - OH ANGL. DEV. = 41.1 DEGREES REMARK 500 16 TYR A 72 CE1 - CZ - CE2 ANGL. DEV. =-82.1 DEGREES REMARK 500 16 TYR A 72 CZ - CE2 - CD2 ANGL. DEV. = 41.2 DEGREES REMARK 500 16 ASN A 73 OD1 - CG - ND2 ANGL. DEV. =-48.0 DEGREES REMARK 500 16 HIS A 77 ND1 - CG - CD2 ANGL. DEV. =-66.8 DEGREES REMARK 500 16 HIS A 77 CG - ND1 - CE1 ANGL. DEV. = 44.8 DEGREES REMARK 500 16 HIS A 77 CG - CD2 - NE2 ANGL. DEV. = 49.1 DEGREES REMARK 500 16 TYR A 80 CB - CG - CD2 ANGL. DEV. = 53.2 DEGREES REMARK 500 16 TYR A 80 CD1 - CG - CD2 ANGL. DEV. =-106.0 DEGREES REMARK 500 16 TYR A 80 CB - CG - CD1 ANGL. DEV. = 53.2 DEGREES REMARK 500 16 TYR A 80 CG - CD1 - CE1 ANGL. DEV. = 52.8 DEGREES REMARK 500 16 TYR A 80 CG - CD2 - CE2 ANGL. DEV. = 52.7 DEGREES REMARK 500 16 TYR A 80 CD1 - CE1 - CZ ANGL. DEV. = 54.3 DEGREES REMARK 500 16 TYR A 80 OH - CZ - CE2 ANGL. DEV. = 54.1 DEGREES REMARK 500 16 TYR A 80 CE1 - CZ - OH ANGL. DEV. = 54.0 DEGREES REMARK 500 16 TYR A 80 CE1 - CZ - CE2 ANGL. DEV. =-108.2 DEGREES REMARK 500 16 TYR A 80 CZ - CE2 - CD2 ANGL. DEV. = 54.4 DEGREES REMARK 500 16 ASP A 82 OD1 - CG - OD2 ANGL. DEV. =-81.3 DEGREES REMARK 500 16 ASP A 82 CB - CG - OD1 ANGL. DEV. = 40.5 DEGREES REMARK 500 16 ASP A 82 CB - CG - OD2 ANGL. DEV. = 41.2 DEGREES REMARK 500 16 HIS A 88 ND1 - CG - CD2 ANGL. DEV. =-74.3 DEGREES REMARK 500 16 HIS A 88 CB - CG - ND1 ANGL. DEV. = 38.9 DEGREES REMARK 500 16 HIS A 88 CG - ND1 - CE1 ANGL. DEV. = 49.1 DEGREES REMARK 500 16 HIS A 88 CE1 - NE2 - CD2 ANGL. DEV. =-43.3 DEGREES REMARK 500 16 HIS A 88 CG - CD2 - NE2 ANGL. DEV. = 54.5 DEGREES REMARK 500 16 ASP A 89 OD1 - CG - OD2 ANGL. DEV. =-56.5 DEGREES REMARK 500 16 SER A 97 CA - CB - OG ANGL. DEV. =-62.9 DEGREES REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3CRD RELATED DB: PDB REMARK 900 RAIDD CARD REMARK 900 RELATED ID: 1A1W RELATED DB: PDB REMARK 900 FADD DEATH EFFECTOR DOMAIN REMARK 900 RELATED ID: 1DDF RELATED DB: PDB REMARK 900 FAS DEATH DOMAIN DBREF 1C15 A 1 97 UNP O14727 APAF_HUMAN 1 97 SEQRES 1 A 97 MET ASP ALA LYS ALA ARG ASN CYS LEU LEU GLN HIS ARG SEQRES 2 A 97 GLU ALA LEU GLU LYS ASP ILE LYS THR SER TYR ILE MET SEQRES 3 A 97 ASP HIS MET ILE SER ASP GLY PHE LEU THR ILE SER GLU SEQRES 4 A 97 GLU GLU LYS VAL ARG ASN GLU PRO THR GLN GLN GLN ARG SEQRES 5 A 97 ALA ALA MET LEU ILE LYS MET ILE LEU LYS LYS ASP ASN SEQRES 6 A 97 ASP SER TYR VAL SER PHE TYR ASN ALA LEU LEU HIS GLU SEQRES 7 A 97 GLY TYR LYS ASP LEU ALA ALA LEU LEU HIS ASP GLY ILE SEQRES 8 A 97 PRO VAL VAL SER SER SER HELIX 1 1 ASP A 2 HIS A 12 1 11 HELIX 2 2 HIS A 12 ILE A 20 1 9 HELIX 3 3 SER A 23 SER A 31 1 9 HELIX 4 4 ILE A 37 GLU A 46 1 10 HELIX 5 5 GLN A 50 ASP A 64 1 15 HELIX 6 6 ASN A 65 HIS A 77 1 13 HELIX 7 7 TYR A 80 ASP A 89 1 10 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