GenomeNet

Database: PDB
Entry: 4YJ4
LinkDB: 4YJ4
Original site: 4YJ4 
HEADER    APOPTOSIS                               03-MAR-15   4YJ4              
TITLE     CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH THE BIM BH3 DOMAIN        
TITLE    2 CONTAINING ILE155-TO-ARG AND GLU158-TO-PHOSPHOSERINE MUTATIONS       
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: BCL-2-LIKE PROTEIN 1;                                      
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: BCL2-L-1,APOPTOSIS REGULATOR BCL-X;                         
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MUTATION: YES;                                                       
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: BCL-2-LIKE PROTEIN 1, BIM BH3 DOMAIN;                      
COMPND   9 CHAIN: B;                                                            
COMPND  10 ENGINEERED: YES;                                                     
COMPND  11 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
SOURCE   4 ORGANISM_TAXID: 10090;                                               
SOURCE   5 GENE: BCL2L1, BCL2L, BCLX;                                           
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  10 ORGANISM_TAXID: 9606;                                                
SOURCE  11 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  12 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    BCL-XL, BIM, BH3, APOPTOSIS                                           
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    B.KU,N.-C.HA,B.-H.OH                                                  
REVDAT   2   27-SEP-17 4YJ4    1       SOURCE REMARK                            
REVDAT   1   29-JUL-15 4YJ4    0                                                
JRNL        AUTH   J.S.KIM,B.KU,T.G.WOO,A.Y.OH,Y.S.JUNG,Y.M.SOH,J.H.YEOM,K.LEE, 
JRNL        AUTH 2 B.J.PARK,B.H.OH,N.C.HA                                       
JRNL        TITL   CONVERSION OF CELL-SURVIVAL ACTIVITY OF AKT INTO APOPTOTIC   
JRNL        TITL 2 DEATH OF CANCER CELLS BY TWO MUTATIONS ON THE BIM BH3        
JRNL        TITL 3 DOMAIN.                                                      
JRNL        REF    CELL DEATH DIS                V.   6 E1804 2015              
JRNL        REFN                   ISSN 2041-4889                               
JRNL        PMID   26136077                                                     
JRNL        DOI    10.1038/CDDIS.2015.118                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.10 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS                                                  
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,              
REMARK   3               : READ,RICE,SIMONSON,WARREN                            
REMARK   3                                                                      
REMARK   3  REFINEMENT TARGET : NULL                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 50.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 97.4                           
REMARK   3   NUMBER OF REFLECTIONS             : 13580                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : FREE R-VALUE                    
REMARK   3   FREE R VALUE TEST SET SELECTION  : NULL                            
REMARK   3   R VALUE            (WORKING SET) : 0.183                           
REMARK   3   FREE R VALUE                     : 0.211                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL                            
REMARK   3   FREE R VALUE TEST SET COUNT      : NULL                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : NULL                            
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : NULL                         
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : NULL                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : NULL                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL                         
REMARK   3   BIN R VALUE           (WORKING SET) : NULL                         
REMARK   3   BIN FREE R VALUE                    : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : NULL                         
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL                         
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1363                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 6                                       
REMARK   3   SOLVENT ATOMS            : 143                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : NULL                            
REMARK   3   ESD FROM SIGMAA              (A) : NULL                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : NULL                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : NULL                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : NULL                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : NULL                            
REMARK   3   BOND ANGLES            (DEGREES) : NULL                            
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : NULL                            
REMARK   3   IMPROPER ANGLES        (DEGREES) : NULL                            
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : NULL                                      
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : NULL                                                 
REMARK   3   KSOL        : NULL                                                 
REMARK   3   BSOL        : NULL                                                 
REMARK   3                                                                      
REMARK   3  NCS MODEL : NULL                                                    
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  PARAMETER FILE  1  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4YJ4 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 17-JUL-15.                  
REMARK 100 THE DEPOSITION ID IS D_1000207556.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 21-AUG-12                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 4.8                                
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU                             
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU RAXIS IV++                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 14211                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.090                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 96.4                               
REMARK 200  DATA REDUNDANCY                : 6.300                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 34.5000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL                         
REMARK 200 SOFTWARE USED: MOLREP                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 46.90                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.32                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M SODIUM ACETATE (PH 4.8), 3.0 M     
REMARK 280  SODIUM CHLORIDE, VAPOR DIFFUSION, TEMPERATURE 293K                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+2/3                                            
REMARK 290       3555   -X+Y,-X,Z+1/3                                           
REMARK 290       4555   Y,X,-Z                                                  
REMARK 290       5555   X-Y,-Y,-Z+1/3                                           
REMARK 290       6555   -X,-X+Y,-Z+2/3                                          
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 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       50.30533            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       25.15267            
REMARK 290   SMTRY1   4 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   5  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       25.15267            
REMARK 290   SMTRY1   6 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       50.30533            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
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: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 2520 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 8340 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -23.0 KCAL/MOL                        
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     GLU A    32                                                      
REMARK 465     ASN A    33                                                      
REMARK 465     ARG A    34                                                      
REMARK 465     THR A    35                                                      
REMARK 465     GLU A    36                                                      
REMARK 465     ALA A    37                                                      
REMARK 465     PRO A    38                                                      
REMARK 465     GLU A    39                                                      
REMARK 465     GLU A    40                                                      
REMARK 465     THR A    41                                                      
REMARK 465     GLU A    42                                                      
REMARK 465     ALA A    43                                                      
REMARK 465     GLU A    44                                                      
REMARK 465     ARG A    45                                                      
REMARK 465     GLU A    46                                                      
REMARK 465     THR A    47                                                      
REMARK 465     PRO A    48                                                      
REMARK 465     SER A    49                                                      
REMARK 465     ALA A    50                                                      
REMARK 465     ILE A    51                                                      
REMARK 465     ASN A    52                                                      
REMARK 465     GLY A    53                                                      
REMARK 465     ASN A    54                                                      
REMARK 465     PRO A    55                                                      
REMARK 465     SER A    56                                                      
REMARK 465     TRP A    57                                                      
REMARK 465     HIS A    58                                                      
REMARK 465     LEU A    59                                                      
REMARK 465     ALA A    60                                                      
REMARK 465     ASP A    61                                                      
REMARK 465     SER A    62                                                      
REMARK 465     PRO A    63                                                      
REMARK 465     ALA A    64                                                      
REMARK 465     VAL A    65                                                      
REMARK 465     ASN A    66                                                      
REMARK 465     GLY A    67                                                      
REMARK 465     ALA A    68                                                      
REMARK 465     THR A    69                                                      
REMARK 465     GLY A    70                                                      
REMARK 465     HIS A    71                                                      
REMARK 465     SER A    72                                                      
REMARK 465     SER A    73                                                      
REMARK 465     SER A    74                                                      
REMARK 465     LEU A    75                                                      
REMARK 465     ASP A    76                                                      
REMARK 465     ALA A    77                                                      
REMARK 465     ARG A    78                                                      
REMARK 465     GLU A    79                                                      
REMARK 465     VAL A    80                                                      
REMARK 465     ILE A    81                                                      
REMARK 465     PRO A    82                                                      
REMARK 465     ALA B   164                                                      
REMARK 465     ARG B   165                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     ARG A 102    CG   CD   NE   CZ   NH1  NH2                        
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   OH   TYR B   163     O    HOH B   301              1.74            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ACT A 201                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CL B 201                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CL B 202                  
DBREF  4YJ4 A    1   196  UNP    Q64373   B2CL1_MOUSE      1    196             
DBREF  4YJ4 B  145   165  PDB    4YJ4     4YJ4           145    165             
SEQADV 4YJ4 GLY A   -1  UNP  Q64373              EXPRESSION TAG                 
SEQADV 4YJ4 HIS A    0  UNP  Q64373              EXPRESSION TAG                 
SEQADV 4YJ4 GLU A   83  UNP  Q64373    MET    83 ENGINEERED MUTATION            
SEQADV 4YJ4 SER A   84  UNP  Q64373    ALA    84 ENGINEERED MUTATION            
SEQRES   1 A  198  GLY HIS MET SER GLN SER ASN ARG GLU LEU VAL VAL ASP          
SEQRES   2 A  198  PHE LEU SER TYR LYS LEU SER GLN LYS GLY TYR SER TRP          
SEQRES   3 A  198  SER GLN PHE SER ASP VAL GLU GLU ASN ARG THR GLU ALA          
SEQRES   4 A  198  PRO GLU GLU THR GLU ALA GLU ARG GLU THR PRO SER ALA          
SEQRES   5 A  198  ILE ASN GLY ASN PRO SER TRP HIS LEU ALA ASP SER PRO          
SEQRES   6 A  198  ALA VAL ASN GLY ALA THR GLY HIS SER SER SER LEU ASP          
SEQRES   7 A  198  ALA ARG GLU VAL ILE PRO GLU SER ALA VAL LYS GLN ALA          
SEQRES   8 A  198  LEU ARG GLU ALA GLY ASP GLU PHE GLU LEU ARG TYR ARG          
SEQRES   9 A  198  ARG ALA PHE SER ASP LEU THR SER GLN LEU HIS ILE THR          
SEQRES  10 A  198  PRO GLY THR ALA TYR GLN SER PHE GLU GLN VAL VAL ASN          
SEQRES  11 A  198  GLU LEU PHE ARG ASP GLY VAL ASN TRP GLY ARG ILE VAL          
SEQRES  12 A  198  ALA PHE PHE SER PHE GLY GLY ALA LEU CYS VAL GLU SER          
SEQRES  13 A  198  VAL ASP LYS GLU MET GLN VAL LEU VAL SER ARG ILE ALA          
SEQRES  14 A  198  SER TRP MET ALA THR TYR LEU ASN ASP HIS LEU GLU PRO          
SEQRES  15 A  198  TRP ILE GLN GLU ASN GLY GLY TRP ASP THR PHE VAL ASP          
SEQRES  16 A  198  LEU TYR GLY                                                  
SEQRES   1 B   21  NLG ILE TRP ILE ALA GLN GLU LEU ARG ARG ARG GLY ASP          
SEQRES   2 B   21  SEP PHE ASN ALA TYR TYR ALA ARG                              
HET    NLG  B 145      12                                                       
HET    SEP  B 158      15                                                       
HET    ACT  A 201       4                                                       
HET     CL  B 201       1                                                       
HET     CL  B 202       1                                                       
HETNAM     NLG N-ACETYL-L-GLUTAMATE                                             
HETNAM     SEP PHOSPHOSERINE                                                    
HETNAM     ACT ACETATE ION                                                      
HETNAM      CL CHLORIDE ION                                                     
HETSYN     SEP PHOSPHONOSERINE                                                  
FORMUL   2  NLG    C7 H11 N O5                                                  
FORMUL   2  SEP    C3 H8 N O6 P                                                 
FORMUL   3  ACT    C2 H3 O2 1-                                                  
FORMUL   4   CL    2(CL 1-)                                                     
FORMUL   6  HOH   *143(H2 O)                                                    
HELIX    1 AA1 GLY A   -1  LYS A   20  1                                  22    
HELIX    2 AA2 SER A   23  PHE A   27  5                                   5    
HELIX    3 AA3 SER A   84  ARG A  102  1                                  19    
HELIX    4 AA4 ARG A  103  SER A  106  5                                   4    
HELIX    5 AA5 ASP A  107  LEU A  112  1                                   6    
HELIX    6 AA6 THR A  118  PHE A  131  1                                  14    
HELIX    7 AA7 ASN A  136  LYS A  157  1                                  22    
HELIX    8 AA8 VAL A  161  LEU A  178  1                                  18    
HELIX    9 AA9 LEU A  178  ASN A  185  1                                   8    
HELIX   10 AB1 GLY A  186  GLY A  196  1                                  11    
HELIX   11 AB2 ILE B  146  TYR B  163  1                                  18    
LINK         C   NLG B 145                 N   ILE B 146     1555   1555  1.33  
LINK         C   ASP B 157                 N   SEP B 158     1555   1555  1.42  
LINK         C   SEP B 158                 N   PHE B 159     1555   1555  1.33  
SITE     1 AC1  2 GLU A  98  HOH A 301                                          
SITE     1 AC2  4 ARG A   6  ASN A 175  GLU B 151  ARG B 155                    
SITE     1 AC3  3 ARG A 132  GLN B 150  ARG B 153                               
CRYST1   72.926   72.926   75.458  90.00  90.00 120.00 P 32 2 1      6          
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      0.013713  0.007917  0.000000        0.00000                         
SCALE2      0.000000  0.015834  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.013252        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system