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Database: PDB
Entry: 1G83
LinkDB: 1G83
Original site: 1G83 
HEADER    TRANSFERASE                             16-NOV-00   1G83              
TITLE     CRYSTAL STRUCTURE OF FYN SH3-SH2                                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE FYN;                
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: SH3 AND SH2 DOMAIN;                                        
COMPND   5 SYNONYM: P59-FYN;                                                    
COMPND   6 EC: 2.7.1.112;                                                       
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: FYN;                                                           
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21;                            
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET                                       
KEYWDS    BETA BARREL, ANTIPARALLEL BETA SHEET, ALPHA HELIX, 3-10               
KEYWDS   2 HELIX, TRANSFERASE                                                   
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    S.T.AROLD,T.S.ULMER,T.D.MULHERN,J.M.WERNER,J.E.LADBURY,               
AUTHOR   2 I.D.CAMPBELL,M.E.M.NOBLE                                             
REVDAT   3   24-FEB-09 1G83    1       VERSN                                    
REVDAT   2   01-APR-03 1G83    1       JRNL                                     
REVDAT   1   30-MAY-01 1G83    0                                                
JRNL        AUTH   S.T.AROLD,T.S.ULMER,T.D.MULHERN,J.M.WERNER,                  
JRNL        AUTH 2 J.E.LADBURY,I.D.CAMPBELL,M.E.NOBLE                           
JRNL        TITL   THE ROLE OF THE SRC HOMOLOGY 3-SRC HOMOLOGY 2                
JRNL        TITL 2 INTERFACE IN THE REGULATION OF SRC KINASES.                  
JRNL        REF    J.BIOL.CHEM.                  V. 276 17199 2001              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   11278857                                                     
JRNL        DOI    10.1074/JBC.M011185200                                       
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.60 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) : 2.60                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 37.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 82.0                           
REMARK   3   NUMBER OF REFLECTIONS             : 10431                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : NULL                            
REMARK   3   FREE R VALUE TEST SET SELECTION  : CNS                             
REMARK   3   R VALUE            (WORKING SET) : 0.214                           
REMARK   3   FREE R VALUE                     : 0.277                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL                            
REMARK   3   FREE R VALUE TEST SET COUNT      : 506                             
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) : 2.60                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.72                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 66.00                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3180                       
REMARK   3   BIN FREE R VALUE                    : 0.3610                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 51                           
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            : 2626                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 16                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 57.00                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 35.00                          
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) : 0.012                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.66                            
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 1G83 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 21-NOV-00.                  
REMARK 100 THE RCSB ID CODE IS RCSB012351.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 30-APR-99                          
REMARK 200  TEMPERATURE           (KELVIN) : 277                                
REMARK 200  PH                             : 6.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ESRF                               
REMARK 200  BEAMLINE                       : ID14-2                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9402                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : CCP4 (SCALA)                       
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 69967                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.600                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 35.800                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.900                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 82.0                               
REMARK 200  DATA REDUNDANCY                : 2.100                              
REMARK 200  R MERGE                    (I) : 0.10500                            
REMARK 200  R SYM                      (I) : 0.07400                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 6.3000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.60                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.69                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 83.4                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.10                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.43000                            
REMARK 200  R SYM FOR SHELL            (I) : 0.30900                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.500                              
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: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 56.19                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.81                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 8000, SODIUM TARTRATE, TRIS  ,       
REMARK 280  PH 6.0, VAPOR DIFFUSION, TEMPERATURE 295.0K                         
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-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        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000       44.98000            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
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: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
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 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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     THR A    82                                                      
REMARK 465     GLY A    83                                                      
REMARK 465     VAL A    84                                                      
REMARK 465     SER A   246                                                      
REMARK 465     THR B    82                                                      
REMARK 465     GLY B    83                                                      
REMARK 465     VAL B    84                                                      
REMARK 465     SER B   246                                                      
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 PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    LEU A 224   CA  -  CB  -  CG  ANGL. DEV. =  14.3 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                                                                      
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    ALA A  95      124.78    -32.55                                   
REMARK 500    ARG A  96      -93.13    -79.57                                   
REMARK 500    THR A  97     -169.01    -58.40                                   
REMARK 500    VAL A 141        1.14    -69.81                                   
REMARK 500    GLU A 148       -9.32     89.41                                   
REMARK 500    LYS A 153       44.96    -86.48                                   
REMARK 500    MET A 195      -70.04    -64.34                                   
REMARK 500    THR A 216      -33.09     -6.53                                   
REMARK 500    ARG A 218       64.01     65.90                                   
REMARK 500    VAL A 243      -71.16   -102.85                                   
REMARK 500    THR B  97     -154.65    -83.25                                   
REMARK 500    THR B 127      -12.40   -151.95                                   
REMARK 500    SER B 143      140.18    -17.05                                   
REMARK 500    ARG B 156      -71.31    -43.50                                   
REMARK 500    THR B 216      -76.55      4.74                                   
REMARK 500    THR B 217      -33.23    -29.08                                   
REMARK 500    ARG B 218        1.63     81.46                                   
REMARK 500    ALA B 236       41.00     37.58                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1G83 A   82   246  UNP    P06241   FYN_HUMAN       81    245             
DBREF  1G83 B   82   246  UNP    P06241   FYN_HUMAN       81    245             
SEQADV 1G83 SER A  239  UNP  P06241    CYS   238 ENGINEERED                     
SEQADV 1G83 SER A  240  UNP  P06241    CYS   239 ENGINEERED                     
SEQADV 1G83 SER A  246  UNP  P06241    CYS   245 ENGINEERED                     
SEQADV 1G83 SER B  239  UNP  P06241    CYS   238 ENGINEERED                     
SEQADV 1G83 SER B  240  UNP  P06241    CYS   239 ENGINEERED                     
SEQADV 1G83 SER B  246  UNP  P06241    CYS   245 ENGINEERED                     
SEQRES   1 A  165  THR GLY VAL THR LEU PHE VAL ALA LEU TYR ASP TYR GLU          
SEQRES   2 A  165  ALA ARG THR GLU ASP ASP LEU SER PHE HIS LYS GLY GLU          
SEQRES   3 A  165  LYS PHE GLN ILE LEU ASN SER SER GLU GLY ASP TRP TRP          
SEQRES   4 A  165  GLU ALA ARG SER LEU THR THR GLY GLU THR GLY TYR ILE          
SEQRES   5 A  165  PRO SER ASN TYR VAL ALA PRO VAL ASP SER ILE GLN ALA          
SEQRES   6 A  165  GLU GLU TRP TYR PHE GLY LYS LEU GLY ARG LYS ASP ALA          
SEQRES   7 A  165  GLU ARG GLN LEU LEU SER PHE GLY ASN PRO ARG GLY THR          
SEQRES   8 A  165  PHE LEU ILE ARG GLU SER GLU THR THR LYS GLY ALA TYR          
SEQRES   9 A  165  SER LEU SER ILE ARG ASP TRP ASP ASP MET LYS GLY ASP          
SEQRES  10 A  165  HIS VAL LYS HIS TYR LYS ILE ARG LYS LEU ASP ASN GLY          
SEQRES  11 A  165  GLY TYR TYR ILE THR THR ARG ALA GLN PHE GLU THR LEU          
SEQRES  12 A  165  GLN GLN LEU VAL GLN HIS TYR SER GLU ARG ALA ALA GLY          
SEQRES  13 A  165  LEU SER SER ARG LEU VAL VAL PRO SER                          
SEQRES   1 B  165  THR GLY VAL THR LEU PHE VAL ALA LEU TYR ASP TYR GLU          
SEQRES   2 B  165  ALA ARG THR GLU ASP ASP LEU SER PHE HIS LYS GLY GLU          
SEQRES   3 B  165  LYS PHE GLN ILE LEU ASN SER SER GLU GLY ASP TRP TRP          
SEQRES   4 B  165  GLU ALA ARG SER LEU THR THR GLY GLU THR GLY TYR ILE          
SEQRES   5 B  165  PRO SER ASN TYR VAL ALA PRO VAL ASP SER ILE GLN ALA          
SEQRES   6 B  165  GLU GLU TRP TYR PHE GLY LYS LEU GLY ARG LYS ASP ALA          
SEQRES   7 B  165  GLU ARG GLN LEU LEU SER PHE GLY ASN PRO ARG GLY THR          
SEQRES   8 B  165  PHE LEU ILE ARG GLU SER GLU THR THR LYS GLY ALA TYR          
SEQRES   9 B  165  SER LEU SER ILE ARG ASP TRP ASP ASP MET LYS GLY ASP          
SEQRES  10 B  165  HIS VAL LYS HIS TYR LYS ILE ARG LYS LEU ASP ASN GLY          
SEQRES  11 B  165  GLY TYR TYR ILE THR THR ARG ALA GLN PHE GLU THR LEU          
SEQRES  12 B  165  GLN GLN LEU VAL GLN HIS TYR SER GLU ARG ALA ALA GLY          
SEQRES  13 B  165  LEU SER SER ARG LEU VAL VAL PRO SER                          
FORMUL   3  HOH   *16(H2 O)                                                     
HELIX    1   1 SER A  143  GLU A  147  5                                   5    
HELIX    2   2 GLY A  155  SER A  165  1                                  11    
HELIX    3   3 THR A  223  ARG A  234  1                                  12    
HELIX    4   4 SER B  143  GLU B  147  5                                   5    
HELIX    5   5 GLY B  155  LEU B  164  1                                  10    
HELIX    6   6 THR B  223  ARG B  234  1                                  12    
SHEET    1   A 5 THR A 130  PRO A 134  0                                        
SHEET    2   A 5 TRP A 119  SER A 124 -1  N  TRP A 120   O  ILE A 133           
SHEET    3   A 5 LYS A 108  ASN A 113 -1  O  GLN A 110   N  ARG A 123           
SHEET    4   A 5 PHE A  87  ALA A  89 -1  O  PHE A  87   N  PHE A 109           
SHEET    5   A 5 VAL A 138  PRO A 140 -1  O  ALA A 139   N  VAL A  88           
SHEET    1   B 5 PHE A 173  GLU A 177  0                                        
SHEET    2   B 5 TYR A 185  TRP A 192 -1  N  SER A 186   O  ARG A 176           
SHEET    3   B 5 ASP A 198  LYS A 207 -1  O  HIS A 199   N  ASP A 191           
SHEET    4   B 5 TYR A 213  TYR A 214 -1  N  TYR A 214   O  ARG A 206           
SHEET    5   B 5 GLN A 220  PHE A 221 -1  O  PHE A 221   N  TYR A 213           
SHEET    1   C 5 THR B 130  PRO B 134  0                                        
SHEET    2   C 5 TRP B 119  SER B 124 -1  N  TRP B 120   O  ILE B 133           
SHEET    3   C 5 LYS B 108  ASN B 113 -1  O  GLN B 110   N  ARG B 123           
SHEET    4   C 5 PHE B  87  ALA B  89 -1  O  PHE B  87   N  PHE B 109           
SHEET    5   C 5 VAL B 138  PRO B 140 -1  O  ALA B 139   N  VAL B  88           
SHEET    1   D 5 PHE B 173  GLU B 177  0                                        
SHEET    2   D 5 TYR B 185  ASP B 191 -1  N  SER B 186   O  ARG B 176           
SHEET    3   D 5 HIS B 199  LYS B 207 -1  O  HIS B 199   N  ASP B 191           
SHEET    4   D 5 TYR B 213  TYR B 214 -1  N  TYR B 214   O  ARG B 206           
SHEET    5   D 5 GLN B 220  PHE B 221 -1  O  PHE B 221   N  TYR B 213           
CRYST1   39.970   89.960   60.270  90.00 101.44  90.00 P 1 21 1      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      0.025019 -0.000001  0.005062        0.00000                         
SCALE2      0.000000  0.011116  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.016928        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system