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Database: PDB
Entry: 3JXH
LinkDB: 3JXH
Original site: 3JXH 
HEADER    CELL ADHESION                           19-SEP-09   3JXH              
TITLE     CA-LIKE DOMAIN OF HUMAN PTPRG                                         
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE GAMMA;          
COMPND   3 CHAIN: C;                                                            
COMPND   4 FRAGMENT: CA-LIKE DOMAIN (UNP RESIDUES 56-320);                      
COMPND   5 SYNONYM: PROTEIN-TYROSINE PHOSPHATASE GAMMA, R-PTP-GAMMA;            
COMPND   6 EC: 3.1.3.48;                                                        
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: PTPG, PTPRG;                                                   
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: ORIGAMI2(DE3);                             
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET32                                     
KEYWDS    CA-LIKE DOMAIN, ALTERNATIVE SPLICING, GLYCOPROTEIN, HYDROLASE,        
KEYWDS   2 MEMBRANE, PHOSPHOPROTEIN, POLYMORPHISM, PROTEIN PHOSPHATASE,         
KEYWDS   3 TRANSMEMBRANE, CELL ADHESION                                         
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    S.BOUYAIN                                                             
REVDAT   3   01-NOV-17 3JXH    1       REMARK                                   
REVDAT   2   16-FEB-10 3JXH    1       JRNL                                     
REVDAT   1   22-DEC-09 3JXH    0                                                
JRNL        AUTH   S.BOUYAIN,D.J.WATKINS                                        
JRNL        TITL   THE PROTEIN TYROSINE PHOSPHATASES PTPRZ AND PTPRG BIND TO    
JRNL        TITL 2 DISTINCT MEMBERS OF THE CONTACTIN FAMILY OF NEURAL           
JRNL        TITL 3 RECOGNITION MOLECULES.                                       
JRNL        REF    PROC.NATL.ACAD.SCI.USA        V. 107  2443 2010              
JRNL        REFN                   ISSN 0027-8424                               
JRNL        PMID   20133774                                                     
JRNL        DOI    10.1073/PNAS.0911235107                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.70 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX                                               
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 43.38                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.150                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 93.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 31875                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.179                           
REMARK   3   R VALUE            (WORKING SET) : 0.178                           
REMARK   3   FREE R VALUE                     : 0.193                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 6.020                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1918                            
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 43.3961 -  4.0980    1.00     2445   157  0.1585 0.1302        
REMARK   3     2  4.0980 -  3.2530    1.00     2323   150  0.1680 0.1820        
REMARK   3     3  3.2530 -  2.8419    1.00     2305   148  0.1919 0.2220        
REMARK   3     4  2.8419 -  2.5821    0.99     2257   145  0.1893 0.2087        
REMARK   3     5  2.5821 -  2.3971    0.99     2245   145  0.1857 0.2131        
REMARK   3     6  2.3971 -  2.2557    0.98     2229   144  0.1746 0.2118        
REMARK   3     7  2.2557 -  2.1428    0.98     2221   142  0.1701 0.1989        
REMARK   3     8  2.1428 -  2.0495    0.98     2215   143  0.1543 0.1863        
REMARK   3     9  2.0495 -  1.9706    0.97     2165   141  0.1564 0.1808        
REMARK   3    10  1.9706 -  1.9026    0.94     2141   134  0.1648 0.2210        
REMARK   3    11  1.9026 -  1.8431    0.93     2076   134  0.1696 0.2117        
REMARK   3    12  1.8431 -  1.7904    0.90     2040   125  0.1903 0.2282        
REMARK   3    13  1.7904 -  1.7433    0.80     1793   113  0.2057 0.2397        
REMARK   3    14  1.7433 -  1.7008    0.67     1502    97  0.2258 0.2674        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : 0.34                                          
REMARK   3   B_SOL              : 49.42                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.190            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 18.470           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 32.09                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 1.58300                                              
REMARK   3    B22 (A**2) : -5.95300                                             
REMARK   3    B33 (A**2) : -9.54900                                             
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  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      :  0.007           2146                                  
REMARK   3   ANGLE     :  1.076           2911                                  
REMARK   3   CHIRALITY :  0.079            298                                  
REMARK   3   PLANARITY :  0.005            380                                  
REMARK   3   DIHEDRAL  : 18.077            758                                  
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):  42.2588  29.5570  54.0164              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2129 T22:   0.2033                                     
REMARK   3      T33:   0.2219 T12:   0.0159                                     
REMARK   3      T13:  -0.0116 T23:  -0.0090                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0406 L22:   1.3222                                     
REMARK   3      L33:   1.6558 L12:  -0.0974                                     
REMARK   3      L13:  -0.1916 L23:   0.3643                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0190 S12:   0.0812 S13:   0.0046                       
REMARK   3      S21:   0.0151 S22:   0.0051 S23:   0.0035                       
REMARK   3      S31:  -0.1185 S32:  -0.1069 S33:   0.0162                       
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 3JXH COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-SEP-09.                  
REMARK 100 THE DEPOSITION ID IS D_1000055282.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 27-MAR-09                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 22-ID                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.00                               
REMARK 200  MONOCHROMATOR                  : ROSENBAUM-ROCK MONOCHROMATOR       
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARMOSAIC 300 MM CCD               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO, HKL-2000                    
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK, HKL-2000                
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 33170                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.700                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 2.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.8                               
REMARK 200  DATA REDUNDANCY                : 12.00                              
REMARK 200  R MERGE                    (I) : 0.09300                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 10.0000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.76                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 82.1                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 5.60                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.48400                            
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: PHASER 2.1.4                                          
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 50.63                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.49                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 50 MM NA-CITRATE PH 6.0, 150 MM          
REMARK 280  AMMONIUM SULFATE, 10% PEG 4000, VAPOR DIFFUSION, HANGING DROP,      
REMARK 280  TEMPERATURE 293K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
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       26.27150            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       43.38200            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       33.08500            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       43.38200            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       26.27150            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       33.08500            
REMARK 290   SMTRY3   4  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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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 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     GLY C    56                                                      
REMARK 465     ASP C    57                                                      
REMARK 465     GLN C   292                                                      
REMARK 465     GLN C   293                                                      
REMARK 465     ASP C   294                                                      
REMARK 465     HIS C   295                                                      
REMARK 465     VAL C   296                                                      
REMARK 465     LYS C   297                                                      
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    HIS C  82       64.51   -119.28                                   
REMARK 500    GLU C  97      152.83    -44.56                                   
REMARK 500    GLU C 228       -8.90     84.81                                   
REMARK 500    HIS C 313     -138.78     56.74                                   
REMARK 500    ASP C 314       24.49    -78.29                                   
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 SO4 C 1                   
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3JXF   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3JXG   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3JXA   RELATED DB: PDB                                   
DBREF  3JXH C   56   320  UNP    P23470   PTPRG_HUMAN     56    320             
SEQRES   1 C  265  GLY ASP PRO TYR TRP ALA TYR SER GLY ALA TYR GLY PRO          
SEQRES   2 C  265  GLU HIS TRP VAL THR SER SER VAL SER CYS GLY GLY ARG          
SEQRES   3 C  265  HIS GLN SER PRO ILE ASP ILE LEU ASP GLN TYR ALA ARG          
SEQRES   4 C  265  VAL GLY GLU GLU TYR GLN GLU LEU GLN LEU ASP GLY PHE          
SEQRES   5 C  265  ASP ASN GLU SER SER ASN LYS THR TRP MET LYS ASN THR          
SEQRES   6 C  265  GLY LYS THR VAL ALA ILE LEU LEU LYS ASP ASP TYR PHE          
SEQRES   7 C  265  VAL SER GLY ALA GLY LEU PRO GLY ARG PHE LYS ALA GLU          
SEQRES   8 C  265  LYS VAL GLU PHE HIS TRP GLY HIS SER ASN GLY SER ALA          
SEQRES   9 C  265  GLY SER GLU HIS SER ILE ASN GLY ARG ARG PHE PRO VAL          
SEQRES  10 C  265  GLU MET GLN ILE PHE PHE TYR ASN PRO ASP ASP PHE ASP          
SEQRES  11 C  265  SER PHE GLN THR ALA ILE SER GLU ASN ARG ILE ILE GLY          
SEQRES  12 C  265  ALA MET ALA ILE PHE PHE GLN VAL SER PRO ARG ASP ASN          
SEQRES  13 C  265  SER ALA LEU ASP PRO ILE ILE HIS GLY LEU LYS GLY VAL          
SEQRES  14 C  265  VAL HIS HIS GLU LYS GLU THR PHE LEU ASP PRO PHE VAL          
SEQRES  15 C  265  LEU ARG ASP LEU LEU PRO ALA SER LEU GLY SER TYR TYR          
SEQRES  16 C  265  ARG TYR THR GLY SER LEU THR THR PRO PRO CYS SER GLU          
SEQRES  17 C  265  ILE VAL GLU TRP ILE VAL PHE ARG ARG PRO VAL PRO ILE          
SEQRES  18 C  265  SER TYR HIS GLN LEU GLU ALA PHE TYR SER ILE PHE THR          
SEQRES  19 C  265  THR GLU GLN GLN ASP HIS VAL LYS SER VAL GLU TYR LEU          
SEQRES  20 C  265  ARG ASN ASN PHE ARG PRO GLN GLN ARG LEU HIS ASP ARG          
SEQRES  21 C  265  VAL VAL SER LYS SER                                          
HET    SO4  C   1       5                                                       
HETNAM     SO4 SULFATE ION                                                      
FORMUL   2  SO4    O4 S 2-                                                      
FORMUL   3  HOH   *145(H2 O)                                                    
HELIX    1   1 SER C   63  GLU C   69  5                                   7    
HELIX    2   2 HIS C   70  SER C   75  1                                   6    
HELIX    3   3 VAL C   76  GLY C   80  5                                   5    
HELIX    4   4 LEU C   89  ALA C   93  5                                   5    
HELIX    5   5 SER C  186  GLU C  193  1                                   8    
HELIX    6   6 ASN C  211  ALA C  213  5                                   3    
HELIX    7   7 LEU C  214  VAL C  224  1                                  11    
HELIX    8   8 VAL C  237  LEU C  242  5                                   6    
HELIX    9   9 TYR C  278  SER C  286  1                                   9    
SHEET    1   A 2 ASP C  87  ILE C  88  0                                        
SHEET    2   A 2 SER C 164  ILE C 165  1  O  SER C 164   N  ILE C  88           
SHEET    1   B 6 GLN C 103  ASP C 105  0                                        
SHEET    2   B 6 PHE C 133  SER C 135 -1  O  SER C 135   N  GLN C 103           
SHEET    3   B 6 PHE C 143  TRP C 152 -1  O  PHE C 143   N  VAL C 134           
SHEET    4   B 6 VAL C 172  TYR C 179 -1  O  TYR C 179   N  LYS C 144           
SHEET    5   B 6 ILE C 197  SER C 207 -1  O  ILE C 202   N  MET C 174           
SHEET    6   B 6 VAL C 274  SER C 277  1  O  VAL C 274   N  PHE C 203           
SHEET    1   C 9 GLU C 230  PHE C 232  0                                        
SHEET    2   C 9 TRP C 116  ASN C 119 -1  N  MET C 117   O  THR C 231           
SHEET    3   C 9 VAL C 124  LEU C 127 -1  O  LEU C 127   N  TRP C 116           
SHEET    4   C 9 PHE C 143  TRP C 152 -1  O  VAL C 148   N  ILE C 126           
SHEET    5   C 9 VAL C 172  TYR C 179 -1  O  TYR C 179   N  LYS C 144           
SHEET    6   C 9 ILE C 197  SER C 207 -1  O  ILE C 202   N  MET C 174           
SHEET    7   C 9 VAL C 265  PHE C 270  1  O  GLU C 266   N  ILE C 197           
SHEET    8   C 9 TYR C 249  GLY C 254 -1  N  GLY C 254   O  VAL C 265           
SHEET    9   C 9 SER C 318  LYS C 319 -1  O  SER C 318   N  ARG C 251           
SHEET    1   D 2 PHE C 288  THR C 289  0                                        
SHEET    2   D 2 GLU C 300  TYR C 301 -1  O  GLU C 300   N  THR C 289           
SSBOND   1 CYS C   78    CYS C  261                          1555   1555  2.06  
CISPEP   1 SER C   84    PRO C   85          0         1.90                     
CISPEP   2 PRO C  259    PRO C  260          0         9.63                     
SITE     1 AC1  6 ARG C  81  HIS C  82  SER C 248  ARG C 272                    
SITE     2 AC1  6 HIS C 313  ASP C 314                                          
CRYST1   52.543   66.170   86.764  90.00  90.00  90.00 P 21 21 21    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      0.019032  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.015113  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.011526        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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