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Entry: 4GHI
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HEADER    TRANSCRIPTION                           07-AUG-12   4GHI              
TITLE     CRYSTAL STRUCTURE OF THE HIGH AFFINITY HETERODIMER OF HIF2 ALPHA AND  
TITLE    2 ARNT C-TERMINAL PAS DOMAINS IN COMPLEX WITH A BENZOXADIAZOLE         
TITLE    3 ANTAGONIST                                                           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ENDOTHELIAL PAS DOMAIN-CONTAINING PROTEIN 1;               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: C-TERMINAL PAS DOMAIN, UNP RESIDUES 239-350;               
COMPND   5 SYNONYM: EPAS-1, BASIC-HELIX-LOOP-HELIX-PAS PROTEIN MOP2, CLASS E    
COMPND   6 BASIC HELIX-LOOP-HELIX PROTEIN 73, BHLHE73, HIF-1-ALPHA-LIKE FACTOR, 
COMPND   7 HLF, HYPOXIA-INDUCIBLE FACTOR 2-ALPHA, HIF-2-ALPHA, HIF2-ALPHA,      
COMPND   8 MEMBER OF PAS PROTEIN 2, PAS DOMAIN-CONTAINING PROTEIN 2;            
COMPND   9 ENGINEERED: YES;                                                     
COMPND  10 MUTATION: YES;                                                       
COMPND  11 MOL_ID: 2;                                                           
COMPND  12 MOLECULE: ARYL HYDROCARBON RECEPTOR NUCLEAR TRANSLOCATOR;            
COMPND  13 CHAIN: B;                                                            
COMPND  14 FRAGMENT: C-TERMINAL PAS DOMAIN, UNP RESIDUES 356-470;               
COMPND  15 SYNONYM: ARNT PROTEIN, CLASS E BASIC HELIX-LOOP-HELIX PROTEIN 2,     
COMPND  16 BHLHE2, DIOXIN RECEPTOR, NUCLEAR TRANSLOCATOR, HYPOXIA-INDUCIBLE     
COMPND  17 FACTOR 1-BETA, HIF-1-BETA, HIF1-BETA;                                
COMPND  18 ENGINEERED: YES;                                                     
COMPND  19 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: BHLHE73, EPAS1, HIF2A, MOP2, PASD2;                            
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)CODONPLUS;                        
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PHIS-GB1-PARALLEL;                        
SOURCE  11 MOL_ID: 2;                                                           
SOURCE  12 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  13 ORGANISM_COMMON: HUMAN;                                              
SOURCE  14 ORGANISM_TAXID: 9606;                                                
SOURCE  15 GENE: ARNT, BHLHE2;                                                  
SOURCE  16 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  17 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  18 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)CODONPLUS;                        
SOURCE  19 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  20 EXPRESSION_SYSTEM_PLASMID: PHIS-GB1-PARALLEL                         
KEYWDS    PAS FOLD, PROTEIN : PROTEIN INTERACTIONS, TRANSCRIPTION               
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    T.H.SCHEUERMANN,J.KEY,U.K.TAMBAR,R.K.BRUICK,K.H.GARDNER               
REVDAT   2   03-APR-13 4GHI    1       JRNL                                     
REVDAT   1   27-FEB-13 4GHI    0                                                
JRNL        AUTH   T.H.SCHEUERMANN,Q.LI,H.W.MA,J.KEY,L.ZHANG,R.CHEN,J.A.GARCIA, 
JRNL        AUTH 2 J.NAIDOO,J.LONGGOOD,D.E.FRANTZ,U.K.TAMBAR,K.H.GARDNER,       
JRNL        AUTH 3 R.K.BRUICK                                                   
JRNL        TITL   ALLOSTERIC INHIBITION OF HYPOXIA INDUCIBLE FACTOR-2 WITH     
JRNL        TITL 2 SMALL MOLECULES.                                             
JRNL        REF    NAT.CHEM.BIOL.                V.   9   271 2013              
JRNL        REFN                   ISSN 1552-4450                               
JRNL        PMID   23434853                                                     
JRNL        DOI    10.1038/NCHEMBIO.1185                                        
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.50 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.7.2_869)                    
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN             
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-                     
REMARK   3               : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO,              
REMARK   3               : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL            
REMARK   3               : MORIARTY,REETAL PAI,RANDY READ,JANE                  
REMARK   3               : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM             
REMARK   3               : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH,             
REMARK   3               : LAURENT STORONI,TOM TERWILLIGER,PETER                
REMARK   3               : ZWART                                                
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 29.02                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.360                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 37409                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.170                           
REMARK   3   R VALUE            (WORKING SET) : 0.169                           
REMARK   3   FREE R VALUE                     : 0.196                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.030                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1880                            
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 29.0271 -  3.5230    0.99     2807   148  0.1700 0.1992        
REMARK   3     2  3.5230 -  2.7971    1.00     2763   159  0.1628 0.1773        
REMARK   3     3  2.7971 -  2.4437    1.00     2733   153  0.1664 0.1938        
REMARK   3     4  2.4437 -  2.2204    1.00     2799   125  0.1582 0.1814        
REMARK   3     5  2.2204 -  2.0613    1.00     2765   142  0.1542 0.1783        
REMARK   3     6  2.0613 -  1.9398    1.00     2772   146  0.1573 0.1633        
REMARK   3     7  1.9398 -  1.8426    1.00     2719   156  0.1630 0.2091        
REMARK   3     8  1.8426 -  1.7624    1.00     2774   153  0.1674 0.2064        
REMARK   3     9  1.7624 -  1.6946    1.00     2732   167  0.1691 0.2200        
REMARK   3    10  1.6946 -  1.6361    1.00     2733   141  0.1809 0.2260        
REMARK   3    11  1.6361 -  1.5850    1.00     2762   134  0.2038 0.2412        
REMARK   3    12  1.5850 -  1.5397    0.98     2703   144  0.2173 0.2709        
REMARK   3    13  1.5397 -  1.5000    0.90     2467   112  0.2584 0.3067        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.00                                          
REMARK   3   SHRINKAGE RADIUS   : 0.73                                          
REMARK   3   K_SOL              : 0.40                                          
REMARK   3   B_SOL              : 60.48                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.320            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 18.870           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 2.69470                                              
REMARK   3    B22 (A**2) : -1.93070                                             
REMARK   3    B33 (A**2) : -0.76400                                             
REMARK   3    B12 (A**2) : -0.00000                                             
REMARK   3    B13 (A**2) : -0.90530                                             
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      :  0.011           2028                                  
REMARK   3   ANGLE     :  1.312           2758                                  
REMARK   3   CHIRALITY :  0.078            285                                  
REMARK   3   PLANARITY :  0.006            360                                  
REMARK   3   DIHEDRAL  : 15.859            757                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 14                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: chain 'A' and (resseq 0:248)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  19.5120 -52.8856   8.1499              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1447 T22:   0.2043                                     
REMARK   3      T33:   0.1252 T12:  -0.0054                                     
REMARK   3      T13:   0.0156 T23:  -0.0435                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0854 L22:   3.1206                                     
REMARK   3      L33:   6.6379 L12:  -3.0773                                     
REMARK   3      L13:  -4.2001 L23:   4.3957                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1300 S12:   0.2250 S13:  -0.0416                       
REMARK   3      S21:   0.1446 S22:   0.1309 S23:  -0.1560                       
REMARK   3      S31:   0.5491 S32:   0.3707 S33:  -0.0977                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: chain 'A' and (resseq 249:272)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  20.7688 -44.9729  16.1016              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1286 T22:   0.1322                                     
REMARK   3      T33:   0.2030 T12:  -0.0225                                     
REMARK   3      T13:  -0.0516 T23:   0.0292                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.5899 L22:   3.5537                                     
REMARK   3      L33:   3.9677 L12:   0.4673                                     
REMARK   3      L13:  -2.8608 L23:   0.7713                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0696 S12:  -0.0937 S13:   0.0422                       
REMARK   3      S21:   0.3468 S22:  -0.1221 S23:  -0.4677                       
REMARK   3      S31:   0.0273 S32:   0.3001 S33:   0.1371                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: chain 'A' and (resseq 273:282)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  18.0995 -35.8198  12.9339              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1656 T22:   0.1346                                     
REMARK   3      T33:   0.2001 T12:  -0.0376                                     
REMARK   3      T13:  -0.0592 T23:  -0.0265                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2654 L22:   5.9820                                     
REMARK   3      L33:   9.1684 L12:   1.0190                                     
REMARK   3      L13:  -1.3758 L23:  -6.5472                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0910 S12:  -0.0251 S13:   0.0701                       
REMARK   3      S21:   0.1968 S22:  -0.1186 S23:  -0.2596                       
REMARK   3      S31:  -0.1950 S32:  -0.0187 S33:   0.2369                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: chain 'A' and (resseq 283:299)                         
REMARK   3    ORIGIN FOR THE GROUP (A):   6.8936 -35.6511   6.2385              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1859 T22:   0.1905                                     
REMARK   3      T33:   0.2548 T12:   0.0509                                     
REMARK   3      T13:  -0.0500 T23:  -0.0087                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.1092 L22:   6.9611                                     
REMARK   3      L33:   6.2068 L12:   6.0554                                     
REMARK   3      L13:  -5.5805 L23:  -3.7113                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4319 S12:   0.3720 S13:   0.5754                       
REMARK   3      S21:   0.2090 S22:  -0.0427 S23:   0.7840                       
REMARK   3      S31:  -0.7567 S32:  -0.5990 S33:  -0.2915                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: chain 'A' and (resseq 300:326)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  15.8936 -42.8050   5.8713              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1031 T22:   0.0820                                     
REMARK   3      T33:   0.1391 T12:  -0.0057                                     
REMARK   3      T13:  -0.0047 T23:   0.0006                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3452 L22:   2.9332                                     
REMARK   3      L33:   4.5108 L12:  -1.2992                                     
REMARK   3      L13:  -1.2260 L23:  -0.4809                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1000 S12:   0.2575 S13:  -0.0180                       
REMARK   3      S21:  -0.2032 S22:  -0.1070 S23:  -0.2632                       
REMARK   3      S31:  -0.0973 S32:  -0.0111 S33:   0.1438                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: chain 'A' and (resseq 327:348)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  13.8644 -46.8821   9.4050              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1036 T22:   0.0936                                     
REMARK   3      T33:   0.1312 T12:  -0.0170                                     
REMARK   3      T13:   0.0069 T23:  -0.0306                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4050 L22:   4.6715                                     
REMARK   3      L33:   3.3518 L12:   0.0354                                     
REMARK   3      L13:  -0.6469 L23:  -0.0394                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1143 S12:   0.0998 S13:   0.0218                       
REMARK   3      S21:  -0.1964 S22:  -0.1372 S23:  -0.0271                       
REMARK   3      S31:  -0.1825 S32:   0.0193 S33:   0.0024                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: chain 'B' and (resseq 358:377)                         
REMARK   3    ORIGIN FOR THE GROUP (A):   11.740  -58.520   20.533              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0988 T22:   0.0922                                     
REMARK   3      T33:   0.0588 T12:   0.0033                                     
REMARK   3      T13:   0.0131 T23:  -0.0171                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.6167 L22:   8.3742                                     
REMARK   3      L33:   6.7884 L12:   0.4051                                     
REMARK   3      L13:  -0.3125 L23:  -3.9228                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0119 S12:   0.0981 S13:   0.1427                       
REMARK   3      S21:   0.2134 S22:   0.1424 S23:   0.1597                       
REMARK   3      S31:  -0.3253 S32:  -0.2151 S33:  -0.1215                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: chain 'B' and (resseq 378:390)                         
REMARK   3    ORIGIN FOR THE GROUP (A):   16.997  -58.869   28.722              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1101 T22:   0.1793                                     
REMARK   3      T33:   0.1253 T12:   0.0257                                     
REMARK   3      T13:  -0.0024 T23:   0.0134                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0676 L22:   4.1604                                     
REMARK   3      L33:   5.8365 L12:   2.6572                                     
REMARK   3      L13:   1.8856 L23:   2.7101                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1121 S12:  -0.1210 S13:   0.1629                       
REMARK   3      S21:  -0.0872 S22:  -0.1938 S23:   0.2963                       
REMARK   3      S31:  -0.0884 S32:  -0.4961 S33:   0.0704                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: chain 'B' and (resseq 391:404)                         
REMARK   3    ORIGIN FOR THE GROUP (A):    7.003  -68.160   25.742              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2119 T22:   0.0706                                     
REMARK   3      T33:   0.0887 T12:  -0.0269                                     
REMARK   3      T13:  -0.0163 T23:  -0.0056                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.9107 L22:   1.4821                                     
REMARK   3      L33:   3.3029 L12:  -0.1679                                     
REMARK   3      L13:  -1.2466 L23:   0.8186                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1376 S12:   0.0259 S13:  -0.0991                       
REMARK   3      S21:   0.0712 S22:  -0.0398 S23:   0.0111                       
REMARK   3      S31:   0.4016 S32:  -0.0618 S33:  -0.0780                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: chain 'B' and (resseq 405:417)                         
REMARK   3    ORIGIN FOR THE GROUP (A):   -0.721  -66.272   16.540              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1750 T22:   0.1068                                     
REMARK   3      T33:   0.1232 T12:  -0.0282                                     
REMARK   3      T13:  -0.0198 T23:   0.0226                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6708 L22:   3.4977                                     
REMARK   3      L33:   4.9530 L12:   0.7300                                     
REMARK   3      L13:   1.4799 L23:   3.3892                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2471 S12:  -0.3147 S13:  -0.3269                       
REMARK   3      S21:   0.2778 S22:  -0.0430 S23:   0.0582                       
REMARK   3      S31:   0.5153 S32:  -0.2167 S33:  -0.1273                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: chain 'B' and (resseq 418:422)                         
REMARK   3    ORIGIN FOR THE GROUP (A):   -1.635  -55.504    8.825              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2277 T22:   0.2583                                     
REMARK   3      T33:   0.1559 T12:   0.0132                                     
REMARK   3      T13:  -0.0157 T23:  -0.0192                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.6045 L22:   8.4637                                     
REMARK   3      L33:   3.4742 L12:  -5.3962                                     
REMARK   3      L13:   3.2855 L23:  -5.4176                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6841 S12:  -0.9154 S13:   0.3865                       
REMARK   3      S21:   1.2368 S22:  -0.3442 S23:  -0.5812                       
REMARK   3      S31:  -0.5110 S32:   0.0741 S33:   0.6510                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: chain 'B' and (resseq 423:446)                         
REMARK   3    ORIGIN FOR THE GROUP (A):    4.588  -60.540   26.913              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0962 T22:   0.0699                                     
REMARK   3      T33:   0.0679 T12:   0.0160                                     
REMARK   3      T13:   0.0103 T23:   0.0083                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3366 L22:   1.5487                                     
REMARK   3      L33:   4.6413 L12:  -0.4470                                     
REMARK   3      L13:  -1.1129 L23:   1.1094                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0412 S12:  -0.0274 S13:  -0.0161                       
REMARK   3      S21:   0.0213 S22:   0.0697 S23:   0.0042                       
REMARK   3      S31:  -0.0542 S32:   0.0712 S33:  -0.1169                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: chain 'B' and (resseq 447:455)                         
REMARK   3    ORIGIN FOR THE GROUP (A):   11.249  -58.935    1.015              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3372 T22:   0.1284                                     
REMARK   3      T33:  -0.0546 T12:   0.0660                                     
REMARK   3      T13:   0.0698 T23:  -0.0064                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6248 L22:   1.0635                                     
REMARK   3      L33:   4.0133 L12:   0.0920                                     
REMARK   3      L13:  -0.1408 L23:   1.0788                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1596 S12:   0.1923 S13:  -0.0085                       
REMARK   3      S21:  -0.9789 S22:  -0.1203 S23:  -0.2653                       
REMARK   3      S31:   0.1816 S32:   0.2271 S33:  -0.0309                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: chain 'B' and (resseq 456:467)                         
REMARK   3    ORIGIN FOR THE GROUP (A):    4.635  -55.650   23.847              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0963 T22:   0.0582                                     
REMARK   3      T33:   0.0615 T12:  -0.0087                                     
REMARK   3      T13:  -0.0135 T23:  -0.0119                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2987 L22:   2.6912                                     
REMARK   3      L33:   8.5458 L12:  -0.1815                                     
REMARK   3      L13:  -3.0696 L23:  -1.4612                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2214 S12:   0.0119 S13:   0.1731                       
REMARK   3      S21:   0.1104 S22:   0.0275 S23:   0.0244                       
REMARK   3      S31:  -0.5105 S32:  -0.0858 S33:  -0.2812                       
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 4GHI COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-AUG-12.                  
REMARK 100 THE RCSB ID CODE IS RCSB074189.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 16-AUG-10                          
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                       : 19-ID                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97937                            
REMARK 200  MONOCHROMATOR                  : CUSTOM                             
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 37413                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.500                              
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     (%) : 99.0                               
REMARK 200  DATA REDUNDANCY                : 4.700                              
REMARK 200  R MERGE                    (I) : 0.04100                            
REMARK 200  R SYM                      (I) : 0.04100                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 30.7000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.50                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.53                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 89.9                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.70                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.40800                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.000                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHENIX (PHENIX.REFINE: 1.7.2_869)                     
REMARK 200 STARTING MODEL: PDB ENTRY 3F1P                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 43.07                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.16                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 20% PEG400     50 MM BISTRIS, PH 6.0,    
REMARK 280  VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y,-Z                                                 
REMARK 290       3555   X+1/2,Y+1/2,Z                                           
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        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   3  1.000000  0.000000  0.000000       36.67650            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       41.50000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000       36.67650            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       41.50000            
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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1790 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 10640 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -11.0 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     GLY A    -2                                                      
REMARK 465     GLU A    -1                                                      
REMARK 465     ASN A   328                                                      
REMARK 465     PRO A   329                                                      
REMARK 465     ARG A   330                                                      
REMARK 465     ASN A   331                                                      
REMARK 465     LEU A   332                                                      
REMARK 465     GLN A   333                                                      
REMARK 465     LYS A   349                                                      
REMARK 465     ASN A   350                                                      
REMARK 465     GLY B   350                                                      
REMARK 465     GLU B   351                                                      
REMARK 465     PHE B   352                                                      
REMARK 465     LYS B   353                                                      
REMARK 465     GLY B   354                                                      
REMARK 465     LEU B   355                                                      
REMARK 465     ASN B   356                                                      
REMARK 465     VAL B   357                                                      
REMARK 465     SER B   468                                                      
REMARK 465     GLN B   469                                                      
REMARK 465     GLU B   470                                                      
REMARK 480                                                                      
REMARK 480 ZERO OCCUPANCY ATOM                                                  
REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO                  
REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS                
REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME;              
REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):         
REMARK 480   M RES C SSEQI ATOMS                                                
REMARK 480     GLU A  263   CD   OE1  OE2                                       
REMARK 480     GLU A  270   OE2                                                 
REMARK 480     GLN A  335   CG   CD   OE1  NE2                                  
REMARK 480     GLU A  346   OE1  OE2                                            
REMARK 480     GLN B  359   CG   CD   OE1  NE2                                  
REMARK 480     ILE B  369   CD1                                                 
REMARK 480     GLN B  389   CG   CD   NE2                                       
REMARK 480     LYS B  394   CE   NZ                                             
REMARK 480     ASN B  433   OD1                                                 
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   SD   MET A   338     OG1  THR B   460              2.02            
REMARK 500   NE2  GLN A   322     O    HOH A   571              2.18            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
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,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
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   ATM2   ATM3                                     
REMARK 500    ASP B 377   CB  -  CG  -  OD1 ANGL. DEV. =   5.5 DEGREES          
REMARK 500    ASP B 377   CB  -  CG  -  OD2 ANGL. DEV. =  -5.5 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 600                                                                      
REMARK 600 HETEROGEN                                                            
REMARK 600 THE BOUND INHIBITOR CORRESPONDS TO COMPOUND (2) IN THE PRIMARY       
REMARK 600 LITERATURE CITATION                                                  
REMARK 650                                                                      
REMARK 650 HELIX                                                                
REMARK 650 DETERMINATION METHOD: AUTHOR DETERMINED                              
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 0X3 A 401                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3H7W   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF THE TERNARY COMPLEX OF AN ARTIFICIAL            
REMARK 900 HIF2 LIGAND IN COMPLEX WITH AN ENGINEERED HIGH AFFINITY              
REMARK 900 HIF2ALPHA PAS-B : ARNT PAS-B PROTEIN HETERODIMER                     
REMARK 900 RELATED ID: 3H82   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF THE TERNARY COMPLEX OF AN ARTIFICIAL            
REMARK 900 HIF2 LIGAND IN COMPLEX WITH AN ENGINEERED HIGH AFFINITY              
REMARK 900 HIF2ALPHA PAS-B : ARNT PAS-B PROTEIN HETERODIMER                     
REMARK 900 RELATED ID: 3F1N   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF THE TERNARY COMPLEX OF AN ARTIFICIAL            
REMARK 900 HIF2 LIGAND IN COMPLEX WITH AN ENGINEERED HIGH AFFINITY              
REMARK 900 HIF2ALPHA PAS-B : ARNT PAS-B PROTEIN HETERODIMER                     
REMARK 900 RELATED ID: 3F1O   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF THE TERNARY COMPLEX OF AN ARTIFICIAL            
REMARK 900 HIF2 LIGAND IN COMPLEX WITH AN ENGINEERED HIGH AFFINITY              
REMARK 900 HIF2ALPHA PAS-B : ARNT PAS-B PROTEIN HETERODIMER                     
REMARK 900 RELATED ID: 3F1P   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF AN ENGINEERED HIGH AFFINITY HIF2ALPHA           
REMARK 900 : PAS-B ARNT PAS-B PROTEIN HETERODIMER                               
REMARK 900 RELATED ID: 2HV1   RELATED DB: PDB                                   
REMARK 900 NMR-GUIDED MODEL OF THE HETERODIMER OF WILDTYPE HIF2ALPHA            
REMARK 900 PAS-B AND ARNT PAS-B DOMAINS                                         
DBREF  4GHI A  239   350  UNP    Q99814   EPAS1_HUMAN    239    350             
DBREF  4GHI B  356   470  UNP    P27540   ARNT_HUMAN     356    470             
SEQADV 4GHI GLY A   -2  UNP  Q99814              EXPRESSION TAG                 
SEQADV 4GHI GLU A   -1  UNP  Q99814              EXPRESSION TAG                 
SEQADV 4GHI PHE A    0  UNP  Q99814              EXPRESSION TAG                 
SEQADV 4GHI LYS A    1  UNP  Q99814              EXPRESSION TAG                 
SEQADV 4GHI GLY A    2  UNP  Q99814              EXPRESSION TAG                 
SEQADV 4GHI GLU A  247  UNP  Q99814    ARG   247 ENGINEERED MUTATION            
SEQADV 4GHI GLY B  350  UNP  P27540              EXPRESSION TAG                 
SEQADV 4GHI GLU B  351  UNP  P27540              EXPRESSION TAG                 
SEQADV 4GHI PHE B  352  UNP  P27540              EXPRESSION TAG                 
SEQADV 4GHI LYS B  353  UNP  P27540              EXPRESSION TAG                 
SEQADV 4GHI GLY B  354  UNP  P27540              EXPRESSION TAG                 
SEQADV 4GHI LEU B  355  UNP  P27540              EXPRESSION TAG                 
SEQADV 4GHI ARG B  362  UNP  P27540    GLU   362 ENGINEERED MUTATION            
SEQRES   1 A  117  GLY GLU PHE LYS GLY LEU ASP SER LYS THR PHE LEU SER          
SEQRES   2 A  117  GLU HIS SER MET ASP MET LYS PHE THR TYR CYS ASP ASP          
SEQRES   3 A  117  ARG ILE THR GLU LEU ILE GLY TYR HIS PRO GLU GLU LEU          
SEQRES   4 A  117  LEU GLY ARG SER ALA TYR GLU PHE TYR HIS ALA LEU ASP          
SEQRES   5 A  117  SER GLU ASN MET THR LYS SER HIS GLN ASN LEU CYS THR          
SEQRES   6 A  117  LYS GLY GLN VAL VAL SER GLY GLN TYR ARG MET LEU ALA          
SEQRES   7 A  117  LYS HIS GLY GLY TYR VAL TRP LEU GLU THR GLN GLY THR          
SEQRES   8 A  117  VAL ILE TYR ASN PRO ARG ASN LEU GLN PRO GLN CYS ILE          
SEQRES   9 A  117  MET CYS VAL ASN TYR VAL LEU SER GLU ILE GLU LYS ASN          
SEQRES   1 B  121  GLY GLU PHE LYS GLY LEU ASN VAL CYS GLN PRO THR ARG          
SEQRES   2 B  121  PHE ILE SER ARG HIS ASN ILE GLU GLY ILE PHE THR PHE          
SEQRES   3 B  121  VAL ASP HIS ARG CYS VAL ALA THR VAL GLY TYR GLN PRO          
SEQRES   4 B  121  GLN GLU LEU LEU GLY LYS ASN ILE VAL GLU PHE CYS HIS          
SEQRES   5 B  121  PRO GLU ASP GLN GLN LEU LEU ARG ASP SER PHE GLN GLN          
SEQRES   6 B  121  VAL VAL LYS LEU LYS GLY GLN VAL LEU SER VAL MET PHE          
SEQRES   7 B  121  ARG PHE ARG SER LYS ASN GLN GLU TRP LEU TRP MET ARG          
SEQRES   8 B  121  THR SER SER PHE THR PHE GLN ASN PRO TYR SER ASP GLU          
SEQRES   9 B  121  ILE GLU TYR ILE ILE CYS THR ASN THR ASN VAL LYS ASN          
SEQRES  10 B  121  SER SER GLN GLU                                              
HET    0X3  A 401      27                                                       
HETNAM     0X3 N-(3-CHLORO-5-FLUOROPHENYL)-4-NITRO-2,1,3-                       
HETNAM   2 0X3  BENZOXADIAZOL-5-AMINE                                           
FORMUL   3  0X3    C12 H6 CL F N4 O3                                            
FORMUL   4  HOH   *184(H2 O)                                                    
HELIX    1   1 LEU A  239  SER A  241  5                                   3    
HELIX    2   2 ASP A  259  GLY A  266  1                                   8    
HELIX    3   3 HIS A  268  LEU A  273  1                                   6    
HELIX    4   4 SER A  276  PHE A  280  5                                   5    
HELIX    5   6 ASP A  285  GLY A  300  1                                  16    
HELIX    6   7 ARG B  379  GLY B  385  1                                   7    
HELIX    7   8 GLN B  387  LEU B  392  1                                   6    
HELIX    8   9 ASN B  395  CYS B  400  5                                   6    
HELIX    9  10 ASP B  404  VAL B  416  1                                  13    
SHEET    1   A 5 PHE A 254  CYS A 257  0                                        
SHEET    2   A 5 THR A 243  HIS A 248 -1  N  GLU A 247   O  THR A 255           
SHEET    3   A 5 CYS A 336  VAL A 343 -1  O  CYS A 339   N  SER A 246           
SHEET    4   A 5 TYR A 316  ILE A 326 -1  N  THR A 324   O  MET A 338           
SHEET    5   A 5 GLN A 301  VAL A 303 -1  N  VAL A 302   O  GLY A 323           
SHEET    1   B 5 PHE A 254  CYS A 257  0                                        
SHEET    2   B 5 THR A 243  HIS A 248 -1  N  GLU A 247   O  THR A 255           
SHEET    3   B 5 CYS A 336  VAL A 343 -1  O  CYS A 339   N  SER A 246           
SHEET    4   B 5 TYR A 316  ILE A 326 -1  N  THR A 324   O  MET A 338           
SHEET    5   B 5 TYR A 307  LEU A 310 -1  N  TYR A 307   O  LEU A 319           
SHEET    1   C 5 PHE B 373  VAL B 376  0                                        
SHEET    2   C 5 ARG B 362  HIS B 367 -1  N  ARG B 366   O  THR B 374           
SHEET    3   C 5 TYR B 456  ASN B 463 -1  O  CYS B 459   N  SER B 365           
SHEET    4   C 5 TRP B 436  PHE B 446 -1  N  PHE B 444   O  ILE B 458           
SHEET    5   C 5 LEU B 423  ARG B 430 -1  N  PHE B 427   O  MET B 439           
SITE     1 AC1 15 PHE A 244  SER A 246  HIS A 248  MET A 252                    
SITE     2 AC1 15 ALA A 277  TYR A 281  MET A 289  SER A 292                    
SITE     3 AC1 15 HIS A 293  LEU A 296  SER A 304  TYR A 307                    
SITE     4 AC1 15 ILE A 337  CYS A 339  ASN A 341                               
CRYST1   73.353   83.000   41.020  90.00 105.98  90.00 C 1 2 1       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      0.013633  0.000000  0.003904        0.00000                         
SCALE2      0.000000  0.012048  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.025358        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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