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Database: PDB
Entry: 5OEN
LinkDB: 5OEN
Original site: 5OEN 
HEADER    TRANSCRIPTION                           09-JUL-17   5OEN              
TITLE     CRYSTAL STRUCTURE OF STAT2 IN COMPLEX WITH IRF9                       
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: INTERFERON REGULATORY FACTOR 9;                            
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 206-376;                                      
COMPND   5 SYNONYM: IRF-9,IFN-ALPHA-RESPONSIVE TRANSCRIPTION FACTOR SUBUNIT,    
COMPND   6 ISGF3 P48 SUBUNIT,INTERFERON-STIMULATED GENE FACTOR 3 GAMMA,ISGF-3   
COMPND   7 GAMMA,TRANSCRIPTIONAL REGULATOR ISGF3 SUBUNIT GAMMA;                 
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MOL_ID: 2;                                                           
COMPND  10 MOLECULE: SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION;          
COMPND  11 CHAIN: B;                                                            
COMPND  12 FRAGMENT: UNP RESIDUES 141-315;                                      
COMPND  13 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
SOURCE   4 ORGANISM_TAXID: 10090;                                               
SOURCE   5 GENE: IRF9, ISGF3G;                                                  
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI 'BL21-GOLD(DE3)PLYSS AG';        
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 866768;                                     
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE  10 ORGANISM_COMMON: MOUSE;                                              
SOURCE  11 ORGANISM_TAXID: 10090;                                               
SOURCE  12 GENE: STAT2;                                                         
SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI 'BL21-GOLD(DE3)PLYSS AG';        
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 866768                                      
KEYWDS    STAT2, IRF9, TRANSCRIPTION                                            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    S.RENGACHARI,D.PANNE                                                  
REVDAT   2   31-JAN-18 5OEN    1       JRNL                                     
REVDAT   1   24-JAN-18 5OEN    0                                                
JRNL        AUTH   S.RENGACHARI,S.GROISS,J.M.DEVOS,E.CARON,N.GRANDVAUX,D.PANNE  
JRNL        TITL   STRUCTURAL BASIS OF STAT2 RECOGNITION BY IRF9 REVEALS        
JRNL        TITL 2 MOLECULAR INSIGHTS INTO ISGF3 FUNCTION.                      
JRNL        REF    PROC. NATL. ACAD. SCI.        V. 115  E601 2018              
JRNL        REF  2 U.S.A.                                                       
JRNL        REFN                   ESSN 1091-6490                               
JRNL        PMID   29317535                                                     
JRNL        DOI    10.1073/PNAS.1718426115                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.92 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.12_2829                                     
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) : 2.92                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 32.12                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.350                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 88.3                           
REMARK   3   NUMBER OF REFLECTIONS             : 7469                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.260                           
REMARK   3   R VALUE            (WORKING SET) : 0.255                           
REMARK   3   FREE R VALUE                     : 0.307                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.190                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 761                             
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 32.1179 -  4.9545    0.95     1472   149  0.2468 0.2835        
REMARK   3     2  4.9545 -  3.9348    0.96     1437   187  0.2279 0.2757        
REMARK   3     3  3.9348 -  3.4381    0.93     1408   140  0.2621 0.3367        
REMARK   3     4  3.4381 -  3.1240    0.85     1268   161  0.2847 0.3343        
REMARK   3     5  3.1240 -  2.9003    0.74     1123   124  0.2982 0.3755        
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              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.460            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 32.950           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 42.46                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
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      :  0.002           2754                                  
REMARK   3   ANGLE     :  0.463           3725                                  
REMARK   3   CHIRALITY :  0.035            415                                  
REMARK   3   PLANARITY :  0.003            486                                  
REMARK   3   DIHEDRAL  : 13.020           1689                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
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 5OEN COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 09-JUL-17.                  
REMARK 100 THE DEPOSITION ID IS D_1200005673.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 09-FEB-17                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ESRF                               
REMARK 200  BEAMLINE                       : ID23-1                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.972                              
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : XSCALE                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 7970                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.919                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 39.389                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 96.0                               
REMARK 200  DATA REDUNDANCY                : 2.800                              
REMARK 200  R MERGE                    (I) : 0.19400                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 5.9000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.92                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.93                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.7                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.80                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.89800                            
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                                                
REMARK 200 STARTING MODEL: 1BF5                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 49.92                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.46                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2M POTASSIUM FORMATE AND 20%           
REMARK 280  PEG3350, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277.15K         
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-Z                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000       62.01850            
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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 2080 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 19030 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -6.0 KCAL/MOL                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 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     SER A   349                                                      
REMARK 465     PRO A   350                                                      
REMARK 465     GLY A   351                                                      
REMARK 465     SER A   352                                                      
REMARK 465     SER A   353                                                      
REMARK 465     HIS A   354                                                      
REMARK 465     LYS B   183                                                      
REMARK 465     THR B   184                                                      
REMARK 465     SER B   185                                                      
REMARK 465     SER B   186                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   NH1  ARG B   160     O    HOH B   401              1.94            
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    LEU A 259      -19.24     91.84                                   
REMARK 500    ASP A 270     -103.60     62.57                                   
REMARK 500    ASN A 278     -154.53   -130.40                                   
REMARK 500    LYS A 312      117.65   -170.97                                   
REMARK 500    PHE A 339      -16.90   -143.90                                   
REMARK 500    LYS B 289      -48.01     73.82                                   
REMARK 500    ARG B 314       69.23   -108.46                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  5OEN A  206   376  UNP    Q61179   IRF9_MOUSE     206    376             
DBREF  5OEN B  141   315  UNP    Q3UDU1   Q3UDU1_MOUSE   141    315             
SEQADV 5OEN ALA A  347  UNP  Q61179    GLU   347 ENGINEERED MUTATION            
SEQADV 5OEN ALA A  348  UNP  Q61179    GLU   348 ENGINEERED MUTATION            
SEQADV 5OEN ALA B  242  UNP  Q3UDU1    GLN   242 ENGINEERED MUTATION            
SEQADV 5OEN ALA B  243  UNP  Q3UDU1    LYS   243 ENGINEERED MUTATION            
SEQRES   1 A  171  LEU PRO LEU ASN SER ASP TYR SER LEU LEU LEU THR PHE          
SEQRES   2 A  171  ILE TYR GLY GLY ARG VAL VAL GLY LYS THR GLN VAL HIS          
SEQRES   3 A  171  SER LEU ASP CYS ARG LEU VAL ALA GLU ARG SER ASP SER          
SEQRES   4 A  171  GLU SER SER MET GLU GLN VAL GLU PHE PRO LYS PRO ASP          
SEQRES   5 A  171  PRO LEU GLU PRO THR GLN HIS LEU LEU ASN GLN LEU ASP          
SEQRES   6 A  171  ARG GLY VAL LEU VAL ALA SER ASN SER ARG GLY LEU PHE          
SEQRES   7 A  171  VAL GLN ARG LEU CYS PRO ILE PRO ILE SER TRP ASN ALA          
SEQRES   8 A  171  PRO GLU ALA PRO PRO GLY PRO GLY PRO HIS LEU LEU PRO          
SEQRES   9 A  171  SER ASN LYS CYS VAL GLU LEU PHE LYS THR THR TYR PHE          
SEQRES  10 A  171  CYS ARG ASP LEU ALA GLN TYR PHE GLN GLY GLN GLY PRO          
SEQRES  11 A  171  PRO PRO LYS PHE GLN ALA THR LEU HIS PHE TRP ALA ALA          
SEQRES  12 A  171  SER PRO GLY SER SER HIS SER GLN GLU ASN LEU ILE THR          
SEQRES  13 A  171  VAL GLN MET GLU GLN ALA PHE ALA ARG HIS LEU LEU GLU          
SEQRES  14 A  171  LYS ILE                                                      
SEQRES   1 B  175  GLN LEU GLU ILE GLU ASN ARG ILE GLN GLY LEU HIS VAL          
SEQRES   2 B  175  ASP ILE GLU PHE LEU VAL ARG SER ILE ARG GLN LEU LYS          
SEQRES   3 B  175  ASP GLU GLN ASP VAL PHE SER PHE ARG TYR THR VAL PHE          
SEQRES   4 B  175  SER LEU LYS LYS THR SER SER SER ASP PRO HIS GLN SER          
SEQRES   5 B  175  GLN GLN ALA GLN LEU VAL GLN ALA THR ALA ASN LYS VAL          
SEQRES   6 B  175  ASP ARG MET ARG LYS GLU VAL LEU ASP ILE SER LYS GLY          
SEQRES   7 B  175  LEU VAL GLY ARG LEU THR THR LEU VAL ASP LEU LEU LEU          
SEQRES   8 B  175  PRO LYS LEU ASP GLU TRP LYS VAL GLN GLN ALA ALA SER          
SEQRES   9 B  175  CYS ILE GLY ALA PRO PRO PRO GLU LEU GLN LEU GLU GLN          
SEQRES  10 B  175  LEU GLU GLN TRP LEU THR ALA GLY ALA LYS PHE LEU PHE          
SEQRES  11 B  175  HIS LEU ARG GLN LEU LEU LYS GLN LEU LYS GLU MET SER          
SEQRES  12 B  175  HIS MET LEU ARG TYR LYS GLY ASP MET PHE GLY GLN GLY          
SEQRES  13 B  175  VAL ASP LEU GLN ASN ALA GLN VAL MET GLU LEU LEU GLN          
SEQRES  14 B  175  ARG LEU LEU GLN ARG SER                                      
FORMUL   3  HOH   *19(H2 O)                                                     
HELIX    1 AA1 PRO A  261  ASN A  267  1                                   7    
HELIX    2 AA2 THR A  319  GLY A  332  1                                  14    
HELIX    3 AA3 ALA A  367  GLU A  374  1                                   8    
HELIX    4 AA4 LEU B  142  LEU B  181  1                                  40    
HELIX    5 AA5 PRO B  189  CYS B  245  1                                  57    
HELIX    6 AA6 GLN B  254  SER B  283  1                                  30    
HELIX    7 AA7 HIS B  284  LEU B  286  5                                   3    
HELIX    8 AA8 GLY B  290  ARG B  314  1                                  25    
SHEET    1 AA1 5 VAL A 224  VAL A 230  0                                        
SHEET    2 AA1 5 LEU A 214  TYR A 220 -1  N  LEU A 216   O  THR A 228           
SHEET    3 AA1 5 GLU A 357  GLN A 366 -1  O  THR A 361   N  ILE A 219           
SHEET    4 AA1 5 THR A 342  ALA A 347 -1  N  LEU A 343   O  VAL A 362           
SHEET    5 AA1 5 ILE A 292  ASN A 295 -1  N  SER A 293   O  HIS A 344           
SHEET    1 AA2 5 GLN A 250  GLU A 252  0                                        
SHEET    2 AA2 5 ASP A 234  VAL A 238  1  N  ARG A 236   O  VAL A 251           
SHEET    3 AA2 5 VAL A 273  ASN A 278 -1  O  VAL A 273   N  LEU A 237           
SHEET    4 AA2 5 GLY A 281  ARG A 286 -1  O  PHE A 283   N  ALA A 276           
SHEET    5 AA2 5 VAL A 314  LYS A 318 -1  O  VAL A 314   N  VAL A 284           
CISPEP   1 GLU A  260    PRO A  261          0        -4.96                     
CRYST1   30.602  124.037   51.029  90.00  92.10  90.00 P 1 21 1      2          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.032678  0.000000  0.001196        0.00000                         
SCALE2      0.000000  0.008062  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.019610        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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