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Database: PDB
Entry: 1G0W
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Original site: 1G0W 
HEADER    TRANSFERASE                             09-OCT-00   1G0W              
TITLE     CRYSTAL STRUCTURE OF BOVINE RETINAL CREATINE KINASE                   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CREATINE KINASE;                                           
COMPND   3 CHAIN: A;                                                            
COMPND   4 EC: 2.7.3.2                                                          
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BOS TAURUS;                                     
SOURCE   3 ORGANISM_COMMON: CATTLE;                                             
SOURCE   4 ORGANISM_TAXID: 9913;                                                
SOURCE   5 ORGAN: RETINA                                                        
KEYWDS    BRAIN-TYPE CREATINE KINASE, GUANIDINO KINASE CELLULAR                 
KEYWDS   2 ENERGY METABOLISM, TRANSFERASE                                       
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    D.TISI,B.BAX,A.LOEW                                                   
REVDAT   2   24-FEB-09 1G0W    1       VERSN                                    
REVDAT   1   07-FEB-01 1G0W    0                                                
JRNL        AUTH   D.TISI,B.BAX,A.LOEW                                          
JRNL        TITL   THE THREE-DIMENSIONAL STRUCTURE OF CYTOSOLIC                 
JRNL        TITL 2 BOVINE RETINAL CREATINE KINASE.                              
JRNL        REF    ACTA CRYSTALLOGR.,SECT.D      V.  57   187 2001              
JRNL        REFN                   ISSN 0907-4449                               
JRNL        PMID   11173463                                                     
JRNL        DOI    10.1107/S0907444900015614                                    
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.30 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) : 2.30                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 19.89                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 2213465.720                    
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 94.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 18573                          
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) : 0.197                           
REMARK   3   FREE R VALUE                     : 0.232                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.000                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 2165                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.005                           
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) : 2.30                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.44                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 96.10                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 3244                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2420                       
REMARK   3   BIN FREE R VALUE                    : 0.2620                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 9.80                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 351                          
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.014                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 3020                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 10                                      
REMARK   3   SOLVENT ATOMS            : 72                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 20.70                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 39.00                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 1.28000                                              
REMARK   3    B22 (A**2) : 1.28000                                              
REMARK   3    B33 (A**2) : -2.55000                                             
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) : 0.26                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.23                            
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) : 0.32                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.24                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.006                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.30                            
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 23.20                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 0.84                            
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) : NULL  ; NULL                 
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.35                                                 
REMARK   3   BSOL        : 47.30                                                
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  : ION.PARAM                                      
REMARK   3  PARAMETER FILE  3  : WATER.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   : NULL                                           
REMARK   3  TOPOLOGY FILE  4   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1G0W COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-NOV-00.                  
REMARK 100 THE RCSB ID CODE IS RCSB012094.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 01-DEC-97                          
REMARK 200  TEMPERATURE           (KELVIN) : 298                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 9                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SRS                                
REMARK 200  BEAMLINE                       : PX9.6                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.87                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 18575                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.300                              
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     (%) : 94.6                               
REMARK 200  DATA REDUNDANCY                : 3.600                              
REMARK 200  R MERGE                    (I) : 0.08400                            
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) : 2.30                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.44                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 96.1                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.60                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.22200                            
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: NULL                         
REMARK 200 SOFTWARE USED: CNS                                                   
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 57.51                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.89                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 1000, AMMONIUM SULFATE, HEPES,       
REMARK 280  PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0K           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -Y+1/2,X+1/2,Z+3/4                                      
REMARK 290       4555   Y+1/2,-X+1/2,Z+1/4                                      
REMARK 290       5555   -X+1/2,Y+1/2,-Z+3/4                                     
REMARK 290       6555   X+1/2,-Y+1/2,-Z+1/4                                     
REMARK 290       7555   Y,X,-Z                                                  
REMARK 290       8555   -Y,-X,-Z+1/2                                            
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       53.95650            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000       47.83600            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       47.83600            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       80.93475            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       47.83600            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       47.83600            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       26.97825            
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       47.83600            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       47.83600            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       80.93475            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       47.83600            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       47.83600            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       26.97825            
REMARK 290   SMTRY1   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   7  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000       53.95650            
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 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     THR A   322                                                      
REMARK 465     GLY A   323                                                      
REMARK 465     GLY A   324                                                      
REMARK 465     VAL A   325                                                      
REMARK 465     ASP A   326                                                      
REMARK 465     THR A   327                                                      
REMARK 465     ALA A   328                                                      
REMARK 465     ALA A   329                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   CE1  PHE A     3     CG   LEU A    12     7555     2.05            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    PHE A   3       88.27    -52.99                                   
REMARK 500    GLN A 116      -88.27    -61.58                                   
REMARK 500    ASP A 122      108.38    -58.58                                   
REMARK 500    GLU A 231     -106.87    -91.22                                   
REMARK 500    ASN A 268       30.08     76.82                                   
REMARK 500    ARG A 320      177.14    172.41                                   
REMARK 500    ARG A 341      -41.61   -135.25                                   
REMARK 500    ILE A 373       61.89   -111.80                                   
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 A 382                 
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 383                 
DBREF  1G0W A   11   359  UNP    Q9XSC6   KCRM_BOVIN      11    359             
SEQRES   1 A  380  PRO PHE SER ASN SER HIS ASN THR LEU LYS LEU ARG PHE          
SEQRES   2 A  380  PRO ALA GLU ASP GLU PHE PRO ASP LEU SER GLY HIS ASN          
SEQRES   3 A  380  ASN HIS MET ALA LYS VAL LEU THR PRO GLU LEU TYR ALA          
SEQRES   4 A  380  GLU LEU ARG ALA LYS SER THR PRO SER GLY PHE THR VAL          
SEQRES   5 A  380  ASP ASP VAL ILE GLN THR GLY VAL ASP ASN PRO GLY HIS          
SEQRES   6 A  380  PRO TYR ILE MET THR VAL GLY CYS VAL ALA GLY ASP GLU          
SEQRES   7 A  380  GLU SER TYR ASP VAL PHE LYS GLU LEU PHE ASP PRO ILE          
SEQRES   8 A  380  ILE GLU ASP ARG HIS GLY GLY TYR LYS PRO THR ASP GLU          
SEQRES   9 A  380  HIS LYS THR ASP LEU ASN PRO ASP ASN LEU GLN GLY GLY          
SEQRES  10 A  380  ASP ASP LEU ASP PRO ASN TYR VAL LEU SER SER ARG VAL          
SEQRES  11 A  380  ARG THR GLY ARG SER ILE ARG GLY PHE CYS LEU PRO PRO          
SEQRES  12 A  380  HIS CYS SER ARG GLY GLU ARG ARG ALA ILE GLU LYS LEU          
SEQRES  13 A  380  ALA VAL GLU ALA LEU SER SER LEU ASP GLY ASP LEU ALA          
SEQRES  14 A  380  GLY ARG TYR TYR ALA LEU LYS SER MET THR GLU ALA GLU          
SEQRES  15 A  380  GLN GLN GLN LEU ILE ASP ASP HIS PHE LEU PHE ASP LYS          
SEQRES  16 A  380  PRO VAL SER PRO LEU LEU LEU ALA SER GLY MET ALA ARG          
SEQRES  17 A  380  ASP TRP PRO ASP ALA ARG GLY ILE TRP HIS ASN ASP ASN          
SEQRES  18 A  380  LYS THR PHE LEU VAL TRP ILE ASN GLU GLU ASP HIS LEU          
SEQRES  19 A  380  ARG VAL ILE SER MET GLN LYS GLY GLY ASN MET LYS GLU          
SEQRES  20 A  380  VAL PHE THR ARG PHE CYS ASN GLY LEU THR GLN ILE GLU          
SEQRES  21 A  380  THR LEU PHE LYS SER LYS ASN TYR GLU PHE MET TRP ASN          
SEQRES  22 A  380  PRO HIS LEU GLY TYR ILE LEU THR CYS PRO SER ASN LEU          
SEQRES  23 A  380  GLY THR GLY LEU ARG ALA GLY VAL HIS ILE LYS LEU PRO          
SEQRES  24 A  380  HIS LEU GLY LYS HIS GLU LYS PHE SER GLU VAL LEU LYS          
SEQRES  25 A  380  ARG LEU ARG LEU GLN LYS ARG GLY THR GLY GLY VAL ASP          
SEQRES  26 A  380  THR ALA ALA VAL GLY GLY VAL PHE ASP VAL SER ASN ALA          
SEQRES  27 A  380  ASP ARG LEU GLY PHE SER GLU VAL GLU LEU VAL GLN MET          
SEQRES  28 A  380  VAL VAL ASP GLY VAL LYS LEU LEU ILE GLU MET GLU GLN          
SEQRES  29 A  380  ARG LEU GLU GLN GLY GLN ALA ILE ASP ASP LEU MET PRO          
SEQRES  30 A  380  ALA GLN LYS                                                  
HET    SO4  A 382       5                                                       
HET    SO4  A 383       5                                                       
HETNAM     SO4 SULFATE ION                                                      
FORMUL   2  SO4    2(O4 S 2-)                                                   
FORMUL   4  HOH   *72(H2 O)                                                     
HELIX    1   1 ASN A    5  LEU A   12  1                                   8    
HELIX    2   2 PRO A   15  PHE A   20  1                                   6    
HELIX    3   3 ASN A   28  LEU A   34  1                                   7    
HELIX    4   4 THR A   35  ARG A   43  1                                   9    
HELIX    5   5 THR A   52  ASN A   63  1                                  12    
HELIX    6   6 GLU A   80  PHE A   85  1                                   6    
HELIX    7   7 PHE A   85  HIS A   97  1                                  13    
HELIX    8   8 ASN A  111  LEU A  115  5                                   5    
HELIX    9   9 SER A  147  SER A  163  1                                  17    
HELIX   10  10 SER A  164  LEU A  165  5                                   2    
HELIX   11  11 ASP A  166  LEU A  169  5                                   4    
HELIX   12  12 LYS A  177  MET A  179  5                                   3    
HELIX   13  13 THR A  180  HIS A  191  1                                  12    
HELIX   14  14 SER A  199  ALA A  204  1                                   6    
HELIX   15  15 ASN A  245  LYS A  267  1                                  23    
HELIX   16  16 CYS A  283  LEU A  287  5                                   5    
HELIX   17  17 LYS A  307  ARG A  316  1                                  10    
HELIX   18  18 SER A  345  GLY A  370  1                                  26    
SHEET    1   A 8 GLY A 171  ALA A 175  0                                        
SHEET    2   A 8 GLY A 216  ASN A 220 -1  O  ILE A 217   N  TYR A 174           
SHEET    3   A 8 PHE A 225  ILE A 229 -1  O  PHE A 225   N  ASN A 220           
SHEET    4   A 8 LEU A 235  LYS A 242 -1  O  ARG A 236   N  TRP A 228           
SHEET    5   A 8 VAL A 126  ARG A 135 -1  N  SER A 129   O  GLN A 241           
SHEET    6   A 8 ARG A 292  LYS A 298 -1  N  ARG A 292   O  ARG A 132           
SHEET    7   A 8 VAL A 333  ASN A 338 -1  N  PHE A 334   O  ILE A 297           
SHEET    8   A 8 LEU A 317  ARG A 320 -1  N  GLN A 318   O  SER A 337           
SHEET    1   B 2 TRP A 273  ASN A 274  0                                        
SHEET    2   B 2 GLY A 278  TYR A 279 -1  N  GLY A 278   O  ASN A 274           
CISPEP   1 TRP A  211    PRO A  212          0         0.28                     
SITE     1 AC1  3 ARG A 130  ARG A 132  ARG A 292                               
SITE     1 AC2  4 ARG A 132  ASN A 286  ARG A 320  ARG A 341                    
CRYST1   95.672   95.672  107.913  90.00  90.00  90.00 P 43 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      0.010452  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.010452  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.009267        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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