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Database: PDB
Entry: 1M61
LinkDB: 1M61
Original site: 1M61 
HEADER    TRANSFERASE                             11-JUL-02   1M61              
TITLE     CRYSTAL STRUCTURE OF THE APO SH2 DOMAINS OF ZAP-70                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: TYROSINE-PROTEIN KINASE ZAP-70;                            
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: TANDEM SH2 DOMAINS (RESIDUES 1-256);                       
COMPND   5 SYNONYM: 70 KDA ZETA-ASSOCIATED PROTEIN, SYK-RELATED TYROSINE KINASE;
COMPND   6 EC: 2.7.1.112;                                                       
COMPND   7 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)                                  
KEYWDS    APO FORM, TRANSFERASE                                                 
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    R.H.A.FOLMER,S.GESCHWINDNER,Y.XUE                                     
REVDAT   3   07-MAR-18 1M61    1       REMARK                                   
REVDAT   2   24-FEB-09 1M61    1       VERSN                                    
REVDAT   1   15-JUL-03 1M61    0                                                
JRNL        AUTH   R.H.A.FOLMER,S.GESCHWINDNER,Y.XUE                            
JRNL        TITL   CRYSTAL STRUCTURE AND NMR STUDIES OF THE APO SH2 DOMAINS OF  
JRNL        TITL 2 ZAP-70: TWO BIKES RATHER THAN A TANDEM                       
JRNL        REF    BIOCHEMISTRY                  V.  41 14176 2002              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   12450381                                                     
JRNL        DOI    10.1021/BI026465E                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.50 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNX 2002                                             
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,              
REMARK   3               : READ,RICE,SIMONSON,WARREN,ACCELRYS                   
REMARK   3               : SOFTWARE INC.(BADGER,BERARD,KUMAR,SZALMA,            
REMARK   3               : YIP,DZAKULA)                                         
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 18.85                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 591220.750                     
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 97.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 9426                           
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) : 0.245                           
REMARK   3   R VALUE            (WORKING SET) : 0.245                           
REMARK   3   FREE R VALUE                     : 0.286                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 3.900                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 370                             
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.015                           
REMARK   3                                                                      
REMARK   3  FIT/AGREEMENT OF MODEL WITH ALL DATA.                               
REMARK   3   R VALUE     (WORKING + TEST SET, NO CUTOFF) : NULL                 
REMARK   3   R VALUE            (WORKING SET, NO CUTOFF) : NULL                 
REMARK   3   FREE R VALUE                    (NO CUTOFF) : NULL                 
REMARK   3   FREE R VALUE TEST SET SIZE   (%, NO CUTOFF) : NULL                 
REMARK   3   FREE R VALUE TEST SET COUNT     (NO CUTOFF) : NULL                 
REMARK   3   ESTIMATED ERROR OF FREE R VALUE (NO CUTOFF) : NULL                 
REMARK   3   TOTAL NUMBER OF REFLECTIONS     (NO CUTOFF) : 9426                 
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 6                            
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.50                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.66                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 97.80                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 1462                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3310                       
REMARK   3   BIN FREE R VALUE                    : 0.3570                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 4.30                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 66                           
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.044                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 2058                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 5                                       
REMARK   3   SOLVENT ATOMS            : 36                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 43.90                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 52.20                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -12.61000                                            
REMARK   3    B22 (A**2) : 7.89000                                              
REMARK   3    B33 (A**2) : 4.72000                                              
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 5.96000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.38                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.38                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : 5.00                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : 0.49                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.39                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.007                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.400                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 22.90                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 0.930                           
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : RESTRAINED                                
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : 1.250 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 2.180 ; 2.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 1.420 ; 2.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 2.220 ; 2.500                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.31                                                 
REMARK   3   BSOL        : 26.06                                                
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  : PROTEIN_REP.PARAM                              
REMARK   3  PARAMETER FILE  2  : WATER_REP.PARAM                                
REMARK   3  PARAMETER FILE  3  : ION.PARAM                                      
REMARK   3  PARAMETER FILE  4  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : PROTEIN.TOP                                    
REMARK   3  TOPOLOGY FILE  2   : WATER.TOP                                      
REMARK   3  TOPOLOGY FILE  3   : ION.TOP                                        
REMARK   3  TOPOLOGY FILE  4   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1M61 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-JUL-02.                  
REMARK 100 THE DEPOSITION ID IS D_1000016642.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 06-MAY-99                          
REMARK 200  TEMPERATURE           (KELVIN) : 200                                
REMARK 200  PH                             : 8                                  
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : MAX II                             
REMARK 200  BEAMLINE                       : I711                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.0158                             
REMARK 200  MONOCHROMATOR                  : MIRROR                             
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : SCALA, CCP4 (SCALA)                
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 9426                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.500                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 20.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 1.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.1                               
REMARK 200  DATA REDUNDANCY                : 4.200                              
REMARK 200  R MERGE                    (I) : 0.07200                            
REMARK 200  R SYM                      (I) : 0.06200                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 10.2000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.50                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.64                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 97.8                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.20                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.52200                            
REMARK 200  R SYM FOR SHELL            (I) : 0.45600                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.700                              
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 1A81                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 48.13                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.37                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PEG3350, SODIUM CHLORIDE, PH 8, VAPOR    
REMARK 280  DIFFUSION, HANGING DROP, TEMPERATURE 298K                           
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       26.11350            
REMARK 290   SMTRY3   2  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/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 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    SER A 902      170.56    -50.01                                   
REMARK 500    HIS A 903      114.80     72.33                                   
REMARK 500    PRO A   4       -9.25    -51.31                                   
REMARK 500    LEU A  26       30.18    -94.64                                   
REMARK 500    ASP A  90      114.50   -167.19                                   
REMARK 500    ASP A  92       48.46     24.85                                   
REMARK 500    ASN A  97      175.70    -58.71                                   
REMARK 500    LYS A 100      115.67     71.61                                   
REMARK 500    CYS A 102       68.75   -103.23                                   
REMARK 500    PRO A 105      146.03    -37.21                                   
REMARK 500    SER A 166      -37.29    -34.92                                   
REMARK 500    GLN A 182       50.98     30.47                                   
REMARK 500    LYS A 206       29.88     44.38                                   
REMARK 500    ASP A 244       68.72     -7.68                                   
REMARK 500    LYS A 251      -91.82   -126.57                                   
REMARK 500    PRO A 255      134.18    -31.32                                   
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 PO4 A 300                 
DBREF  1M61 A    1   256  UNP    P43403   ZAP70_HUMAN      1    256             
SEQADV 1M61 GLY A  901  UNP  P43403              CLONING ARTIFACT               
SEQADV 1M61 SER A  902  UNP  P43403              CLONING ARTIFACT               
SEQADV 1M61 HIS A  903  UNP  P43403              CLONING ARTIFACT               
SEQRES   1 A  259  GLY SER HIS MET PRO ASP PRO ALA ALA HIS LEU PRO PHE          
SEQRES   2 A  259  PHE TYR GLY SER ILE SER ARG ALA GLU ALA GLU GLU HIS          
SEQRES   3 A  259  LEU LYS LEU ALA GLY MET ALA ASP GLY LEU PHE LEU LEU          
SEQRES   4 A  259  ARG GLN CYS LEU ARG SER LEU GLY GLY TYR VAL LEU SER          
SEQRES   5 A  259  LEU VAL HIS ASP VAL ARG PHE HIS HIS PHE PRO ILE GLU          
SEQRES   6 A  259  ARG GLN LEU ASN GLY THR TYR ALA ILE ALA GLY GLY LYS          
SEQRES   7 A  259  ALA HIS CYS GLY PRO ALA GLU LEU CYS GLU PHE TYR SER          
SEQRES   8 A  259  ARG ASP PRO ASP GLY LEU PRO CYS ASN LEU ARG LYS PRO          
SEQRES   9 A  259  CYS ASN ARG PRO SER GLY LEU GLU PRO GLN PRO GLY VAL          
SEQRES  10 A  259  PHE ASP CYS LEU ARG ASP ALA MET VAL ARG ASP TYR VAL          
SEQRES  11 A  259  ARG GLN THR TRP LYS LEU GLU GLY GLU ALA LEU GLU GLN          
SEQRES  12 A  259  ALA ILE ILE SER GLN ALA PRO GLN VAL GLU LYS LEU ILE          
SEQRES  13 A  259  ALA THR THR ALA HIS GLU ARG MET PRO TRP TYR HIS SER          
SEQRES  14 A  259  SER LEU THR ARG GLU GLU ALA GLU ARG LYS LEU TYR SER          
SEQRES  15 A  259  GLY ALA GLN THR ASP GLY LYS PHE LEU LEU ARG PRO ARG          
SEQRES  16 A  259  LYS GLU GLN GLY THR TYR ALA LEU SER LEU ILE TYR GLY          
SEQRES  17 A  259  LYS THR VAL TYR HIS TYR LEU ILE SER GLN ASP LYS ALA          
SEQRES  18 A  259  GLY LYS TYR CYS ILE PRO GLU GLY THR LYS PHE ASP THR          
SEQRES  19 A  259  LEU TRP GLN LEU VAL GLU TYR LEU LYS LEU LYS ALA ASP          
SEQRES  20 A  259  GLY LEU ILE TYR CYS LEU LYS GLU ALA CYS PRO ASN              
HET    PO4  A 300       5                                                       
HETNAM     PO4 PHOSPHATE ION                                                    
FORMUL   2  PO4    O4 P 3-                                                      
FORMUL   3  HOH   *36(H2 O)                                                     
HELIX    1   1 SER A   16  LEU A   26  1                                  11    
HELIX    2   2 GLY A   79  ASP A   90  1                                  12    
HELIX    3   3 GLY A  113  LYS A  132  1                                  20    
HELIX    4   4 GLU A  134  ALA A  154  1                                  21    
HELIX    5   5 ALA A  157  MET A  161  5                                   5    
HELIX    6   6 THR A  169  SER A  179  1                                  11    
HELIX    7   7 THR A  231  LYS A  240  1                                  10    
SHEET    1   A 5 PHE A  11  GLY A  13  0                                        
SHEET    2   A 5 PHE A  34  GLN A  38  1  N  GLN A  38   O  GLY A  13           
SHEET    3   A 5 TYR A  46  HIS A  52 -1  O  VAL A  47   N  ARG A  37           
SHEET    4   A 5 ARG A  55  ARG A  63 -1  O  ILE A  61   N  TYR A  46           
SHEET    5   A 5 TYR A  69  ILE A  71 -1  O  ALA A  70   N  GLU A  62           
SHEET    1   B 4 PHE A 187  PRO A 191  0                                        
SHEET    2   B 4 THR A 197  TYR A 204 -1  O  ALA A 199   N  ARG A 190           
SHEET    3   B 4 THR A 207  GLN A 215 -1  O  TYR A 211   N  LEU A 200           
SHEET    4   B 4 TYR A 221  CYS A 222 -1  O  CYS A 222   N  SER A 214           
SITE     1 AC1  4 ARG A 170  ARG A 190  ARG A 192  ALA A 199                    
CRYST1   48.851   52.227   54.455  90.00  89.91  90.00 P 1 21 1      2          
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      0.020471  0.000000 -0.000032        0.00000                         
SCALE2      0.000000  0.019147  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.018364        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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