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Database: PDB
Entry: 1NCN
LinkDB: 1NCN
Original site: 1NCN 
HEADER    IMMUNE SYSTEM                           05-DEC-02   1NCN              
TITLE     THE RECEPTOR-BINDING DOMAIN OF HUMAN B7-2                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: T LYMPHOCYTE ACTIVATION ANTIGEN CD86;                      
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: IG V-TYPE DOMAIN;                                          
COMPND   5 SYNONYM: B7-2, ACTIVATION B7-2 ANTIGEN, CTLA-4 COUNTER-              
COMPND   6 RECEPTOR B7.2, B70, FUN-1, BU63;                                     
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 GENE: B7-2;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3), B834(DE3);                      
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET3A                                     
KEYWDS    IG V, BETA STRANDS, IMMUNE SYSTEM                                     
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    X.ZHANG,J.D.SCHWARTZ,S.C.ALMO,S.G.NATHENSON                           
REVDAT   2   24-FEB-09 1NCN    1       VERSN                                    
REVDAT   1   11-MAR-03 1NCN    0                                                
JRNL        AUTH   X.ZHANG,J.D.SCHWARTZ,S.C.ALMO,S.G.NATHENSON                  
JRNL        TITL   CRYSTAL STRUCTURE OF THE RECEPTOR-BINDING DOMAIN             
JRNL        TITL 2 OF HUMAN B7-2: INSIGHTS INTO ORGANIZATION AND                
JRNL        TITL 3 SIGNALING                                                    
JRNL        REF    PROC.NATL.ACAD.SCI.USA        V. 100  2586 2003              
JRNL        REFN                   ISSN 0027-8424                               
JRNL        PMID   12606712                                                     
JRNL        DOI    10.1073/PNAS.252771499                                       
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   X.ZHANG,J.-C.D.SCHWARTZ,S.C.ALMO,S.G.NATHENSON               
REMARK   1  TITL   EXPRESSION, REFOLDING, PURIFICATION, MOLECULAR               
REMARK   1  TITL 2 CHARACTERIZATION, CRYSTALLIZATION, AND PRELIMINARY           
REMARK   1  TITL 3 X-RAY ANALYSIS OF THE RECEPTOR BINDING DOMAIN OF             
REMARK   1  TITL 4 HUMAN B7-2                                                   
REMARK   1  REF    PROTEIN EXPR.PURIF.           V.  25   105 2002              
REMARK   1  REFN                   ISSN 1046-5928                               
REMARK   1  DOI    10.1006/PREP.2002.1616                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.70 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.0                                              
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 : ENGH & HUBER                                    
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.70                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 19.83                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 2.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 95.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 5842                           
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 SET) : 0.214                           
REMARK   3   FREE R VALUE                     : 0.278                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.800                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 629                             
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.011                           
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 10                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.70                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.80                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 90.80                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 491                          
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2370                       
REMARK   3   BIN FREE R VALUE                    : 0.2360                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 8.80                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 53                           
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.032                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1804                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 0                                       
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 31.20                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 21.94                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 9.98000                                              
REMARK   3    B22 (A**2) : -3.55000                                             
REMARK   3    B33 (A**2) : -6.43000                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.30                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.27                            
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) : 0.41                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.42                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.008                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.40                            
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) : 1.530 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 2.550 ; 2.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 2.550 ; 2.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 3.670 ; 2.500                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : CNS BULK SOLVENT MODEL USED                          
REMARK   3   KSOL        : 0.37                                                 
REMARK   3   BSOL        : 18.26                                                
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  : CARBOHYDRATE.PARAM                             
REMARK   3  PARAMETER FILE  3  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : PROTEIN.TOP                                    
REMARK   3  TOPOLOGY FILE  2   : CARBOHYDRATE.TOP                               
REMARK   3  TOPOLOGY FILE  3   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1NCN COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-DEC-02.                  
REMARK 100 THE RCSB ID CODE IS RCSB017766.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 01-JAN-99                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 8.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : NSLS                               
REMARK 200  BEAMLINE                       : X9B                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.96110, 0.98000, 0.98019          
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 4                     
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 5843                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.700                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 19.830                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 95.5                               
REMARK 200  DATA REDUNDANCY                : NULL                               
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.70                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.80                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 90.8                               
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: MAD                                            
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD                          
REMARK 200 SOFTWARE USED: SOLVE                                                 
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 40.18                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.07                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PEG4000, NAAC, TRIS-HCL, PH 8.5,         
REMARK 280  VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 2                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z                                                 
REMARK 290       3555   -X+1/2,Y+1/2,-Z                                         
REMARK 290       4555   X+1/2,-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        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000       28.34500            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       31.50500            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       28.34500            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       31.50500            
REMARK 290   SMTRY3   4  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 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    GLU A   9     -152.84   -107.59                                   
REMARK 500    SER A  62      119.88   -162.35                                   
REMARK 500    THR A  93      -87.84    -59.95                                   
REMARK 500    GLU B   9     -145.92   -119.28                                   
REMARK 500    PRO B  92      -36.83    -35.69                                   
REMARK 500    HIS B  99      144.30   -176.67                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1I85   RELATED DB: PDB                                   
REMARK 900 THE COMPLEX BETWEEN THE RECEPTOR-BINDING DOMAIN OF HUMAN             
REMARK 900 B7-2 AND DIMERIC CTLA-4                                              
DBREF  1NCN A    1   109  UNP    P42081   CD86_HUMAN      26    134             
DBREF  1NCN B    1   109  UNP    P42081   CD86_HUMAN      26    134             
SEQADV 1NCN MET A    0  UNP  P42081              INITIATING METHIONINE          
SEQADV 1NCN MET B    0  UNP  P42081              INITIATING METHIONINE          
SEQRES   1 A  110  MET LEU LYS ILE GLN ALA TYR PHE ASN GLU THR ALA ASP          
SEQRES   2 A  110  LEU PRO CYS GLN PHE ALA ASN SER GLN ASN GLN SER LEU          
SEQRES   3 A  110  SER GLU LEU VAL VAL PHE TRP GLN ASP GLN GLU ASN LEU          
SEQRES   4 A  110  VAL LEU ASN GLU VAL TYR LEU GLY LYS GLU LYS PHE ASP          
SEQRES   5 A  110  SER VAL HIS SER LYS TYR MET GLY ARG THR SER PHE ASP          
SEQRES   6 A  110  SER ASP SER TRP THR LEU ARG LEU HIS ASN LEU GLN ILE          
SEQRES   7 A  110  LYS ASP LYS GLY LEU TYR GLN CYS ILE ILE HIS HIS LYS          
SEQRES   8 A  110  LYS PRO THR GLY MET ILE ARG ILE HIS GLN MET ASN SER          
SEQRES   9 A  110  GLU LEU SER VAL LEU ALA                                      
SEQRES   1 B  110  MET LEU LYS ILE GLN ALA TYR PHE ASN GLU THR ALA ASP          
SEQRES   2 B  110  LEU PRO CYS GLN PHE ALA ASN SER GLN ASN GLN SER LEU          
SEQRES   3 B  110  SER GLU LEU VAL VAL PHE TRP GLN ASP GLN GLU ASN LEU          
SEQRES   4 B  110  VAL LEU ASN GLU VAL TYR LEU GLY LYS GLU LYS PHE ASP          
SEQRES   5 B  110  SER VAL HIS SER LYS TYR MET GLY ARG THR SER PHE ASP          
SEQRES   6 B  110  SER ASP SER TRP THR LEU ARG LEU HIS ASN LEU GLN ILE          
SEQRES   7 B  110  LYS ASP LYS GLY LEU TYR GLN CYS ILE ILE HIS HIS LYS          
SEQRES   8 B  110  LYS PRO THR GLY MET ILE ARG ILE HIS GLN MET ASN SER          
SEQRES   9 B  110  GLU LEU SER VAL LEU ALA                                      
HELIX    1   1 SER A   24  SER A   26  5                                   3    
HELIX    2   2 GLN A   76  LYS A   80  5                                   5    
HELIX    3   3 SER B   24  SER B   26  5                                   3    
HELIX    4   4 GLN B   76  LYS B   80  5                                   5    
SHEET    1   A 6 LEU A   1  TYR A   6  0                                        
SHEET    2   A 6 MET A  95  LEU A 108  1  O  GLU A 104   N  ILE A   3           
SHEET    3   A 6 GLY A  81  LYS A  90 -1  N  HIS A  89   O  ILE A  96           
SHEET    4   A 6 LEU A  28  ASP A  34 -1  N  PHE A  31   O  ILE A  86           
SHEET    5   A 6 VAL A  39  TYR A  44 -1  O  LEU A  40   N  TRP A  32           
SHEET    6   A 6 LYS A  47  GLU A  48 -1  O  LYS A  47   N  TYR A  44           
SHEET    1   B 3 ALA A  11  PRO A  14  0                                        
SHEET    2   B 3 THR A  69  LEU A  72 -1  O  LEU A  70   N  LEU A  13           
SHEET    3   B 3 THR A  61  ASP A  64 -1  N  ASP A  64   O  THR A  69           
SHEET    1   C 6 LEU B   1  TYR B   6  0                                        
SHEET    2   C 6 GLY B  94  LEU B 108  1  O  GLU B 104   N  LEU B   1           
SHEET    3   C 6 GLY B  81  LYS B  91 -1  N  CYS B  85   O  MET B 101           
SHEET    4   C 6 LEU B  28  ASP B  34 -1  N  PHE B  31   O  ILE B  86           
SHEET    5   C 6 VAL B  39  TYR B  44 -1  O  LEU B  40   N  TRP B  32           
SHEET    6   C 6 LYS B  47  LYS B  49 -1  O  LYS B  49   N  GLU B  42           
SHEET    1   D 3 ALA B  11  PRO B  14  0                                        
SHEET    2   D 3 THR B  69  LEU B  72 -1  O  LEU B  70   N  LEU B  13           
SHEET    3   D 3 THR B  61  ASP B  64 -1  N  SER B  62   O  ARG B  71           
SSBOND   1 CYS A   15    CYS A   85                          1555   1555  2.02  
SSBOND   2 CYS B   15    CYS B   85                          1555   1555  2.04  
CRYST1   56.690   63.010   58.610  90.00  90.00  90.00 P 21 21 2     8          
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      0.017640  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.015870  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.017062        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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