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Database: PDB
Entry: 3RWJ
LinkDB: 3RWJ
Original site: 3RWJ 
HEADER    IMMUNE SYSTEM                           09-MAY-11   3RWJ              
TITLE     RHESUS MACAQUE MHC CLASS I MOLECULE MAMU-B*17-HW8                     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I;                  
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: RESIDUES 24-297;                                           
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MOL_ID: 2;                                                           
COMPND   7 MOLECULE: BETA-2-MICROGLOBULIN;                                      
COMPND   8 CHAIN: B;                                                            
COMPND   9 ENGINEERED: YES;                                                     
COMPND  10 MOL_ID: 3;                                                           
COMPND  11 MOLECULE: VIF HW8 PEPTIDE FROM VIRION INFECTIVITY FACTOR;            
COMPND  12 CHAIN: C;                                                            
COMPND  13 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MACACA MULATTA;                                 
SOURCE   3 ORGANISM_COMMON: RHESUS MACAQUE;                                     
SOURCE   4 ORGANISM_TAXID: 9544;                                                
SOURCE   5 GENE: MHCI-B;                                                        
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_COMMON: HUMAN;                                              
SOURCE  11 ORGANISM_TAXID: 9606;                                                
SOURCE  12 GENE: B2M;                                                           
SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  15 MOL_ID: 3;                                                           
SOURCE  16 SYNTHETIC: YES;                                                      
SOURCE  17 ORGANISM_SCIENTIFIC: SIMIAN IMMUNODEFICIENCY VIRUS;                  
SOURCE  18 ORGANISM_COMMON: SIV-CPZ;                                            
SOURCE  19 ORGANISM_TAXID: 11723;                                               
SOURCE  20 OTHER_DETAILS: SYNTHTIC PEPTIDE                                      
KEYWDS    ANTIGENIC PEPTIDES, T LYMPHOCYTES, IMMUNE RESPONSE, IMMUNE SYSTEM     
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    Y.WU,F.GAO,J.LIU,J.X.QI,D.A.PRICE,G.F.GAO                             
REVDAT   1   21-MAR-12 3RWJ    0                                                
JRNL        AUTH   Y.WU,F.GAO,J.LIU,J.X.QI,E.GOSTICK,D.A.PRICE,G.F.GAO          
JRNL        TITL   STRUCTURAL BASIS OF DIVERSE PEPTIDE ACCOMMODATION BY THE     
JRNL        TITL 2 RHESUS MACAQUE MHC CLASS I MOLECULE MAMU-B*17: INSIGHTS INTO 
JRNL        TITL 3 IMMUNE PROTECTION FROM SIMIAN IMMUNODEFICIENCY VIRUS         
JRNL        REF    J.IMMUNOL.                    V. 187  6382 2011              
JRNL        REFN                   ISSN 0022-1767                               
JRNL        PMID   22084443                                                     
JRNL        DOI    10.4049/JIMMUNOL.1101726                                     
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.70 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.6.4_486)                    
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN             
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-                     
REMARK   3               : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO,              
REMARK   3               : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL            
REMARK   3               : MORIARTY,REETAL PAI,RANDY READ,JANE                  
REMARK   3               : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM             
REMARK   3               : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH,             
REMARK   3               : LAURENT STORONI,TOM TERWILLIGER,PETER                
REMARK   3               : ZWART                                                
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.70                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 22.49                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.370                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 13430                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.213                           
REMARK   3   R VALUE            (WORKING SET) : 0.210                           
REMARK   3   FREE R VALUE                     : 0.256                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.180                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 696                             
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 22.4881 -  4.6065    0.99     2604   143  0.1972 0.2158        
REMARK   3     2  4.6065 -  3.6614    1.00     2533   152  0.1674 0.2126        
REMARK   3     3  3.6614 -  3.2001    1.00     2538   132  0.2037 0.2800        
REMARK   3     4  3.2001 -  2.9082    1.00     2544   133  0.2579 0.3123        
REMARK   3     5  2.9082 -  2.7001    1.00     2515   136  0.3124 0.3812        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.00                                          
REMARK   3   SHRINKAGE RADIUS   : 0.72                                          
REMARK   3   K_SOL              : 0.40                                          
REMARK   3   B_SOL              : 44.30                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.370            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 25.730           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 36.65                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 38.30                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 1.00390                                              
REMARK   3    B22 (A**2) : -1.44010                                             
REMARK   3    B33 (A**2) : 0.43630                                              
REMARK   3    B12 (A**2) : -0.00000                                             
REMARK   3    B13 (A**2) : -0.08410                                             
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.004           3405                                  
REMARK   3   ANGLE     :  0.443           4454                                  
REMARK   3   CHIRALITY :  0.032            438                                  
REMARK   3   PLANARITY :  0.002            594                                  
REMARK   3   DIHEDRAL  : 11.342           1222                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: ALL                                                    
REMARK   3    ORIGIN FOR THE GROUP (A): -24.8737  -0.3847 -19.2352              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0259 T22:   0.0524                                     
REMARK   3      T33:   0.0167 T12:  -0.0254                                     
REMARK   3      T13:   0.0092 T23:  -0.0248                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3077 L22:   0.3705                                     
REMARK   3      L33:   0.4240 L12:   0.3196                                     
REMARK   3      L13:   0.1807 L23:   0.2655                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0147 S12:  -0.1320 S13:   0.0119                       
REMARK   3      S21:  -0.0183 S22:  -0.1364 S23:   0.0337                       
REMARK   3      S31:  -0.0371 S32:  -0.1089 S33:   0.0912                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 3RWJ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 18-MAY-11.                  
REMARK 100 THE RCSB ID CODE IS RCSB065464.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 08-AUG-08                          
REMARK 200  TEMPERATURE           (KELVIN) : NULL                               
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
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) : NULL                               
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 : NULL                               
REMARK 200  DATA SCALING SOFTWARE          : NULL                               
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 13484                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.260                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 54.960                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL                               
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) : 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: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: 2BVO                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 54.43                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.70                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL                                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 2 1                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y,-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                                                                      
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: TRIMERIC                          
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC                   
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 4510 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 19330 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -18.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C                               
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 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375      HOH A 317  LIES ON A SPECIAL POSITION.                          
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    ASP A  29     -109.92     61.75                                   
REMARK 500    GLU A  41      -33.83    -36.29                                   
REMARK 500    PRO A  43       98.78    -43.38                                   
REMARK 500    ARG A 131      -17.28   -142.07                                   
REMARK 500    PRO A 210     -169.40    -75.66                                   
REMARK 500    GLU A 222     -130.67    -80.47                                   
REMARK 500    LYS A 243      129.20   -174.58                                   
REMARK 500    ASN B  42        7.37     97.97                                   
REMARK 500    GLU B  47      -73.14    -69.33                                   
REMARK 500    SER B  57     -167.43   -106.55                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3RWC   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3RWD   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3RWE   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3RWF   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3RWG   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3RWH   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3RWI   RELATED DB: PDB                                   
DBREF  3RWJ A    1   276  UNP    Q9GJ77   Q9GJ77_MACMU    24    299             
DBREF  3RWJ B    1    99  UNP    P61769   B2MG_HUMAN      21    119             
DBREF  3RWJ C    1     8  UNP    Q89490   Q89490_SIVCZ    66     73             
SEQADV 3RWJ MET B    0  UNP  P61769              EXPRESSION TAG                 
SEQRES   1 A  276  GLY SER HIS SER MET LYS TYR PHE TYR THR SER VAL SER          
SEQRES   2 A  276  ARG PRO GLY ARG GLY GLU PRO ARG PHE ILE SER VAL GLY          
SEQRES   3 A  276  TYR VAL ASP ASP THR GLN PHE VAL ARG PHE ASP SER ASP          
SEQRES   4 A  276  ALA GLU SER PRO ARG GLU GLU PRO ARG ALA PRO TRP VAL          
SEQRES   5 A  276  GLU GLN GLU GLY PRO GLU TYR TRP GLU GLU ALA THR ARG          
SEQRES   6 A  276  ARG ALA LYS GLU ALA ALA GLN THR HIS ARG GLU ASN LEU          
SEQRES   7 A  276  ARG THR ALA LEU ARG TYR TYR ASN GLN SER GLU ALA GLY          
SEQRES   8 A  276  SER HIS THR ILE GLN LYS MET TYR GLY CYS ASP LEU GLY          
SEQRES   9 A  276  PRO ASP GLY ARG LEU LEU ARG GLY TYR HIS GLN SER ALA          
SEQRES  10 A  276  TYR ASP GLY LYS ASP TYR ILE ALA LEU ASN GLY ASP LEU          
SEQRES  11 A  276  ARG SER TRP THR ALA ALA ASP MET ALA ALA GLN ASN THR          
SEQRES  12 A  276  GLN ARG LYS TRP GLU GLY ASN ARG TYR ALA GLU ARG PHE          
SEQRES  13 A  276  ARG ALA TYR LEU GLU GLY GLU CYS LEU GLU TRP LEU ARG          
SEQRES  14 A  276  ARG TYR LEU GLU ASN GLY LYS GLU THR LEU GLN ARG ALA          
SEQRES  15 A  276  ASP PRO PRO LYS THR HIS VAL THR HIS HIS PRO VAL SER          
SEQRES  16 A  276  ASP HIS GLU ALA THR LEU ARG CYS TRP ALA LEU GLY PHE          
SEQRES  17 A  276  TYR PRO ALA GLU ILE THR LEU THR TRP GLN ARG ASP GLY          
SEQRES  18 A  276  GLU GLU GLN THR GLN ASP THR GLU PHE VAL GLU THR ARG          
SEQRES  19 A  276  PRO GLY GLY ASP GLY THR PHE GLN LYS TRP GLY ALA VAL          
SEQRES  20 A  276  VAL VAL PRO SER GLY GLU GLU GLN ARG TYR THR CYS HIS          
SEQRES  21 A  276  VAL GLN HIS GLU GLY LEU PRO GLU PRO LEU THR LEU ARG          
SEQRES  22 A  276  TRP GLU PRO                                                  
SEQRES   1 B  100  MET ILE GLN ARG THR PRO LYS ILE GLN VAL TYR SER ARG          
SEQRES   2 B  100  HIS PRO ALA GLU ASN GLY LYS SER ASN PHE LEU ASN CYS          
SEQRES   3 B  100  TYR VAL SER GLY PHE HIS PRO SER ASP ILE GLU VAL ASP          
SEQRES   4 B  100  LEU LEU LYS ASN GLY GLU ARG ILE GLU LYS VAL GLU HIS          
SEQRES   5 B  100  SER ASP LEU SER PHE SER LYS ASP TRP SER PHE TYR LEU          
SEQRES   6 B  100  LEU TYR TYR THR GLU PHE THR PRO THR GLU LYS ASP GLU          
SEQRES   7 B  100  TYR ALA CYS ARG VAL ASN HIS VAL THR LEU SER GLN PRO          
SEQRES   8 B  100  LYS ILE VAL LYS TRP ASP ARG ASP MET                          
SEQRES   1 C    8  HIS LEU GLU VAL GLN GLY TYR TRP                              
FORMUL   4  HOH   *124(H2 O)                                                    
HELIX    1   1 GLY A   56  TYR A   85  1                                  30    
HELIX    2   2 ASP A  137  ASN A  150  1                                  14    
HELIX    3   3 ARG A  151  GLU A  161  1                                  11    
HELIX    4   4 GLY A  162  GLY A  175  1                                  14    
HELIX    5   5 GLY A  175  GLN A  180  1                                   6    
HELIX    6   6 GLU A  253  GLN A  255  5                                   3    
SHEET    1   A 8 GLU A  46  PRO A  47  0                                        
SHEET    2   A 8 THR A  31  ASP A  37 -1  N  ARG A  35   O  GLU A  46           
SHEET    3   A 8 ARG A  21  VAL A  28 -1  N  VAL A  28   O  THR A  31           
SHEET    4   A 8 HIS A   3  VAL A  12 -1  N  LYS A   6   O  TYR A  27           
SHEET    5   A 8 THR A  94  LEU A 103 -1  O  ILE A  95   N  SER A  11           
SHEET    6   A 8 LEU A 109  TYR A 118 -1  O  GLN A 115   N  MET A  98           
SHEET    7   A 8 LYS A 121  LEU A 126 -1  O  LYS A 121   N  TYR A 118           
SHEET    8   A 8 TRP A 133  ALA A 135 -1  O  THR A 134   N  ALA A 125           
SHEET    1   B 4 LYS A 186  PRO A 193  0                                        
SHEET    2   B 4 GLU A 198  PHE A 208 -1  O  TRP A 204   N  HIS A 188           
SHEET    3   B 4 PHE A 241  PRO A 250 -1  O  GLY A 245   N  CYS A 203           
SHEET    4   B 4 THR A 228  PHE A 230 -1  N  GLU A 229   O  ALA A 246           
SHEET    1   C 4 LYS A 186  PRO A 193  0                                        
SHEET    2   C 4 GLU A 198  PHE A 208 -1  O  TRP A 204   N  HIS A 188           
SHEET    3   C 4 PHE A 241  PRO A 250 -1  O  GLY A 245   N  CYS A 203           
SHEET    4   C 4 ARG A 234  PRO A 235 -1  N  ARG A 234   O  GLN A 242           
SHEET    1   D 3 ILE A 213  ARG A 219  0                                        
SHEET    2   D 3 TYR A 257  HIS A 263 -1  O  HIS A 260   N  THR A 216           
SHEET    3   D 3 LEU A 270  LEU A 272 -1  O  LEU A 272   N  CYS A 259           
SHEET    1   E 4 LYS B   6  SER B  11  0                                        
SHEET    2   E 4 ASN B  21  PHE B  30 -1  O  ASN B  24   N  TYR B  10           
SHEET    3   E 4 PHE B  62  PHE B  70 -1  O  TYR B  66   N  CYS B  25           
SHEET    4   E 4 GLU B  50  HIS B  51 -1  N  GLU B  50   O  TYR B  67           
SHEET    1   F 4 LYS B   6  SER B  11  0                                        
SHEET    2   F 4 ASN B  21  PHE B  30 -1  O  ASN B  24   N  TYR B  10           
SHEET    3   F 4 PHE B  62  PHE B  70 -1  O  TYR B  66   N  CYS B  25           
SHEET    4   F 4 SER B  55  PHE B  56 -1  N  SER B  55   O  TYR B  63           
SHEET    1   G 3 ILE B  35  LYS B  41  0                                        
SHEET    2   G 3 TYR B  78  HIS B  84 -1  O  ARG B  81   N  ASP B  38           
SHEET    3   G 3 LYS B  91  LYS B  94 -1  O  LYS B  91   N  VAL B  82           
SSBOND   1 CYS A  101    CYS A  164                          1555   1555  2.03  
SSBOND   2 CYS A  203    CYS A  259                          1555   1555  2.03  
SSBOND   3 CYS B   25    CYS B   80                          1555   1555  2.03  
CISPEP   1 TYR A  209    PRO A  210          0         0.90                     
CISPEP   2 HIS B   31    PRO B   32          0         2.18                     
CRYST1   67.960   44.600   80.630  90.00  96.94  90.00 P 1 2 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      0.014715  0.000000  0.001791        0.00000                         
SCALE2      0.000000  0.022422  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.012494        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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