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Database: PDB
Entry: 5OEM
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Original site: 5OEM 
HEADER    TRANSCRIPTION                           09-JUL-17   5OEM              
TITLE     CRYSTAL STRUCTURE OF INTERFERON REGULATORY FACTOR 9 IAD DOMAIN        
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: INTERFERON REGULATORY FACTOR 9;                            
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: IRF-9,IFN-ALPHA-RESPONSIVE TRANSCRIPTION FACTOR SUBUNIT,    
COMPND   5 ISGF3 P48 SUBUNIT,INTERFERON-STIMULATED GENE FACTOR 3 GAMMA,ISGF-3   
COMPND   6 GAMMA,TRANSCRIPTIONAL REGULATOR ISGF3 SUBUNIT GAMMA;                 
COMPND   7 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;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    IRF9, TRANSCRIPTION                                                   
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    S.RENGACHARI,D.PANNE                                                  
REVDAT   2   31-JAN-18 5OEM    1       JRNL                                     
REVDAT   1   24-JAN-18 5OEM    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.    1.90 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.10_2155                                     
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 : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 35.99                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.350                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 85.7                           
REMARK   3   NUMBER OF REFLECTIONS             : 38295                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.209                           
REMARK   3   R VALUE            (WORKING SET) : 0.207                           
REMARK   3   FREE R VALUE                     : 0.242                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.030                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1927                            
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 35.9957 -  4.5692    0.93     2849   156  0.1742 0.1933        
REMARK   3     2  4.5692 -  3.6278    0.93     2813   154  0.1656 0.2167        
REMARK   3     3  3.6278 -  3.1696    0.91     2768   144  0.2077 0.2456        
REMARK   3     4  3.1696 -  2.8799    0.93     2796   148  0.2251 0.2444        
REMARK   3     5  2.8799 -  2.6736    0.92     2789   143  0.2226 0.2888        
REMARK   3     6  2.6736 -  2.5160    0.88     2692   143  0.2449 0.2698        
REMARK   3     7  2.5160 -  2.3900    0.87     2631   141  0.2520 0.2776        
REMARK   3     8  2.3900 -  2.2860    0.88     2679   139  0.2565 0.2938        
REMARK   3     9  2.2860 -  2.1980    0.88     2625   144  0.2589 0.3216        
REMARK   3    10  2.1980 -  2.1221    0.86     2642   137  0.2757 0.3313        
REMARK   3    11  2.1221 -  2.0558    0.86     2599   136  0.2925 0.3305        
REMARK   3    12  2.0558 -  1.9970    0.82     2479   132  0.3055 0.3105        
REMARK   3    13  1.9970 -  1.9445    0.71     2191   117  0.3341 0.3435        
REMARK   3    14  1.9445 -  1.8970    0.60     1815    93  0.3761 0.3418        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : NULL                                          
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)     : 0.260            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 31.390           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 76.89                          
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      :  0.014           1539                                  
REMARK   3   ANGLE     :  1.263           2099                                  
REMARK   3   CHIRALITY :  0.068            226                                  
REMARK   3   PLANARITY :  0.008            280                                  
REMARK   3   DIHEDRAL  : 12.578            930                                  
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):  22.3049  23.6272  18.6301              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3054 T22:   0.5231                                     
REMARK   3      T33:   0.3016 T12:   0.0410                                     
REMARK   3      T13:  -0.0059 T23:   0.0046                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7357 L22:   3.1148                                     
REMARK   3      L33:   5.2426 L12:  -0.3581                                     
REMARK   3      L13:  -0.9006 L23:   2.8240                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2634 S12:   0.0553 S13:   0.0330                       
REMARK   3      S21:  -0.0570 S22:  -0.2498 S23:  -0.0147                       
REMARK   3      S31:  -0.0330 S32:  -1.0026 S33:  -0.0629                       
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 5OEM 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_1200005672.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 08-NOV-15                          
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                       : MASSIF-1                           
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.966                              
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS3 2M                
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : XSCALE                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 22803                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.900                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 35.989                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 96.7                               
REMARK 200  DATA REDUNDANCY                : 2.923                              
REMARK 200  R MERGE                    (I) : 0.03400                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 14.8100                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.01                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 88.3                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.40                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.65600                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.450                              
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: 3DSH                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 64.12                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.43                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M HEPES PH 6.8, 1.5 M AMMONIUM       
REMARK 280  PHOSPHATE MONOBASIC AND 0.1 M AMMONIUM SULPHATE, VAPOR DIFFUSION,   
REMARK 280  HANGING DROP, TEMPERATURE 277.15K                                   
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+2/3                                            
REMARK 290       3555   -X+Y,-X,Z+1/3                                           
REMARK 290       4555   Y,X,-Z                                                  
REMARK 290       5555   X-Y,-Y,-Z+1/3                                           
REMARK 290       6555   -X,-X+Y,-Z+2/3                                          
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 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       57.07000            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       28.53500            
REMARK 290   SMTRY1   4 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   5  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       28.53500            
REMARK 290   SMTRY1   6 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       57.07000            
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: 2170 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 21450 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -26.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   2 -0.500000  0.866025  0.000000        0.00000            
REMARK 350   BIOMT2   2  0.866025  0.500000  0.000000        0.00000            
REMARK 350   BIOMT3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     ARG A 223    CG   CD   NE   CZ   NH1  NH2                        
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   O    LYS A   255     O    HOH A   501              1.85            
REMARK 500   O    PHE A   201     O    HOH A   502              2.04            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    CYS A 313   CB    CYS A 313   SG     -0.096                       
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    VAL A 200       -9.60    -59.05                                   
REMARK 500    SER A 244      164.62     61.25                                   
REMARK 500    SER A 246       20.71     85.14                                   
REMARK 500    PRO A 258       -6.48    -52.48                                   
REMARK 500    LEU A 259      -64.48     85.13                                   
REMARK 500    ASP A 270     -122.24     54.75                                   
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 PO4 A 401                 
DBREF  5OEM A  197   385  UNP    Q61179   IRF9_MOUSE     197    385             
SEQADV 5OEM ALA A  241  UNP  Q61179    ARG   241 CONFLICT                       
SEQRES   1 A  189  GLU ASP PRO VAL PHE LEU GLU HIS GLN LEU PRO LEU ASN          
SEQRES   2 A  189  SER ASP TYR SER LEU LEU LEU THR PHE ILE TYR GLY GLY          
SEQRES   3 A  189  ARG VAL VAL GLY LYS THR GLN VAL HIS SER LEU ASP CYS          
SEQRES   4 A  189  ARG LEU VAL ALA GLU ALA SER ASP SER GLU SER SER MET          
SEQRES   5 A  189  GLU GLN VAL GLU PHE PRO LYS PRO ASP PRO LEU GLU PRO          
SEQRES   6 A  189  THR GLN HIS LEU LEU ASN GLN LEU ASP ARG GLY VAL LEU          
SEQRES   7 A  189  VAL ALA SER ASN SER ARG GLY LEU PHE VAL GLN ARG LEU          
SEQRES   8 A  189  CYS PRO ILE PRO ILE SER TRP ASN ALA PRO GLU ALA PRO          
SEQRES   9 A  189  PRO GLY PRO GLY PRO HIS LEU LEU PRO SER ASN LYS CYS          
SEQRES  10 A  189  VAL GLU LEU PHE LYS THR THR TYR PHE CYS ARG ASP LEU          
SEQRES  11 A  189  ALA GLN TYR PHE GLN GLY GLN GLY PRO PRO PRO LYS PHE          
SEQRES  12 A  189  GLN ALA THR LEU HIS PHE TRP GLU GLU SER PRO GLY SER          
SEQRES  13 A  189  SER HIS SER GLN GLU ASN LEU ILE THR VAL GLN MET GLU          
SEQRES  14 A  189  GLN ALA PHE ALA ARG HIS LEU LEU GLU LYS ILE PRO GLU          
SEQRES  15 A  189  GLU GLU LYS ALA ALA LEU PHE                                  
HET    PO4  A 401       5                                                       
HETNAM     PO4 PHOSPHATE ION                                                    
FORMUL   2  PO4    O4 P 3-                                                      
FORMUL   3  HOH   *32(H2 O)                                                     
HELIX    1 AA1 PRO A  261  ASN A  267  1                                   7    
HELIX    2 AA2 THR A  319  GLN A  331  1                                  13    
HELIX    3 AA3 ALA A  367  PHE A  385  1                                  19    
SHEET    1 AA1 5 ARG A 223  VAL A 230  0                                        
SHEET    2 AA1 5 LEU A 214  TYR A 220 -1  N  LEU A 214   O  VAL A 230           
SHEET    3 AA1 5 GLN A 356  GLN A 366 -1  O  GLU A 365   N  LEU A 215           
SHEET    4 AA1 5 ALA A 341  GLU A 348 -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 GLU A 249  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 CYS A 313  LYS A 318 -1  O  VAL A 314   N  VAL A 284           
CISPEP   1 ASP A  198    PRO A  199          0        -1.22                     
CISPEP   2 GLU A  260    PRO A  261          0        10.93                     
SITE     1 AC1  5 ARG A 280  GLU A 315  LYS A 318  THR A 319                    
SITE     2 AC1  5 THR A 320                                                     
CRYST1   76.770   76.770   85.605  90.00  90.00 120.00 P 32 2 1      6          
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      0.013026  0.007521  0.000000        0.00000                         
SCALE2      0.000000  0.015041  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.011682        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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