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Entry: 4XT2
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HEADER    TRANSCRIPTION                           22-JAN-15   4XT2              
TITLE     CRYSTAL STRUCTURE OF THE HIGH AFFINITY HETERODIMER OF HIF2 ALPHA AND  
TITLE    2 ARNT C-TERMINAL PAS DOMAINS IN COMPLEX WITH A TETRAZOLE-CONTAINING   
TITLE    3 ANTAGONIST                                                           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ARYL HYDROCARBON RECEPTOR NUCLEAR TRANSLOCATOR;            
COMPND   3 CHAIN: B, D;                                                         
COMPND   4 FRAGMENT: C-TERMINAL PAS DOMAIN (UNP RESIDUES 342-456);              
COMPND   5 SYNONYM: ARNT PROTEIN, CLASS E BASIC HELIX-LOOP-HELIX PROTEIN 2,     
COMPND   6 BHLHE2,DIOXIN RECEPTOR, NUCLEAR TRANSLOCATOR, HYPOXIA-INDUCIBLE      
COMPND   7 FACTOR 1-BETA, HIF1-BETA;                                            
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MUTATION: YES;                                                       
COMPND  10 MOL_ID: 2;                                                           
COMPND  11 MOLECULE: ENDOTHELIAL PAS DOMAIN-CONTAINING PROTEIN 1;               
COMPND  12 CHAIN: A, C;                                                         
COMPND  13 FRAGMENT: C-TERMINAL PAS DOMAIN (UNP RESIDUES 239-350);              
COMPND  14 SYNONYM: EPAS-1, BASIC-HELIX-LOOP-HELIX-PAS PROTEIN MOP2, CLASS E    
COMPND  15 BASIC HELIX-LOOP-HELIX PROTEIN 73, BHLHE73, HIF-1-ALPHA-LIKE FACTOR, 
COMPND  16 HLF, HYPOXIA-INDUCIBLE FACTOR 2-ALPHA, HIF2-ALPHA, MEMBER OF PAS     
COMPND  17 PROTEIN 2, PAS DOMAIN-CONTAINING PROTEIN 2;                          
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: ARNT, BHLHE2;                                                  
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PHIS-GB1 CON29;                           
SOURCE  10 MOL_ID: 2;                                                           
SOURCE  11 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  12 ORGANISM_COMMON: HUMAN;                                              
SOURCE  13 ORGANISM_TAXID: 9606;                                                
SOURCE  14 GENE: EPAS1, BHLHE73, HIF2A, MOP2, PASD2;                            
SOURCE  15 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE  16 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  17 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  18 EXPRESSION_SYSTEM_PLASMID: PHIS-GB1 CON30                            
KEYWDS    TRANSCRIPTION FACTOR, HYPOXIA INDUCIBLE FACTOR, INHIBITOR, CANCER,    
KEYWDS   2 TRANSCRIPTION                                                        
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    T.H.SCHEUERMANN,K.H.GARDNER                                           
REVDAT   4   04-DEC-19 4XT2    1       REMARK                                   
REVDAT   3   06-SEP-17 4XT2    1       REMARK                                   
REVDAT   2   23-DEC-15 4XT2    1       REMARK                                   
REVDAT   1   09-DEC-15 4XT2    0                                                
JRNL        AUTH   T.H.SCHEUERMANN,D.STROUD,C.E.SLEET,L.BAYEH,C.SHOKRI,H.WANG,  
JRNL        AUTH 2 C.G.CALDWELL,J.LONGGOOD,J.B.MACMILLAN,R.K.BRUICK,            
JRNL        AUTH 3 K.H.GARDNER,U.K.TAMBAR                                       
JRNL        TITL   ISOFORM-SELECTIVE AND STEREOSELECTIVE INHIBITION OF HYPOXIA  
JRNL        TITL 2 INDUCIBLE FACTOR-2.                                          
JRNL        REF    J.MED.CHEM.                   V.  58  5930 2015              
JRNL        REFN                   ISSN 0022-2623                               
JRNL        PMID   26226049                                                     
JRNL        DOI    10.1021/ACS.JMEDCHEM.5B00529                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.70 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.8.2_1309                                    
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 41.69                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 54336                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.161                           
REMARK   3   R VALUE            (WORKING SET) : 0.159                           
REMARK   3   FREE R VALUE                     : 0.192                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.040                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2741                            
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 41.7004 -  4.6080    0.98     2602   139  0.1831 0.2088        
REMARK   3     2  4.6080 -  3.6582    1.00     2624   127  0.1325 0.1528        
REMARK   3     3  3.6582 -  3.1960    1.00     2587   148  0.1566 0.1856        
REMARK   3     4  3.1960 -  2.9039    1.00     2590   130  0.1637 0.1741        
REMARK   3     5  2.9039 -  2.6958    1.00     2577   148  0.1613 0.1995        
REMARK   3     6  2.6958 -  2.5368    1.00     2590   138  0.1515 0.1680        
REMARK   3     7  2.5368 -  2.4098    1.00     2598   120  0.1490 0.1798        
REMARK   3     8  2.4098 -  2.3049    1.00     2580   149  0.1452 0.1934        
REMARK   3     9  2.3049 -  2.2162    1.00     2591   130  0.1514 0.2251        
REMARK   3    10  2.2162 -  2.1397    1.00     2581   123  0.1494 0.1915        
REMARK   3    11  2.1397 -  2.0728    1.00     2563   145  0.1495 0.1837        
REMARK   3    12  2.0728 -  2.0136    1.00     2588   127  0.1494 0.1571        
REMARK   3    13  2.0136 -  1.9606    1.00     2575   143  0.1549 0.2057        
REMARK   3    14  1.9606 -  1.9127    1.00     2578   143  0.1553 0.2014        
REMARK   3    15  1.9127 -  1.8692    1.00     2585   134  0.1689 0.2374        
REMARK   3    16  1.8692 -  1.8295    1.00     2541   144  0.1755 0.2058        
REMARK   3    17  1.8295 -  1.7929    1.00     2592   150  0.1913 0.2017        
REMARK   3    18  1.7929 -  1.7590    1.00     2531   135  0.1976 0.2995        
REMARK   3    19  1.7590 -  1.7276    1.00     2597   129  0.2150 0.2768        
REMARK   3    20  1.7276 -  1.6983    0.97     2525   139  0.2230 0.2257        
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)     : 0.170            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 17.760           
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) : 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      :  0.011           3923                                  
REMARK   3   ANGLE     :  1.345           5322                                  
REMARK   3   CHIRALITY :  0.083            564                                  
REMARK   3   PLANARITY :  0.006            687                                  
REMARK   3   DIHEDRAL  : 15.142           1459                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 25                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 358 THROUGH 367 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  14.7679 -10.9143  15.7687              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2055 T22:   0.1438                                     
REMARK   3      T33:   0.1729 T12:  -0.0164                                     
REMARK   3      T13:  -0.0092 T23:   0.0301                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2266 L22:   8.0595                                     
REMARK   3      L33:   6.2630 L12:   0.4313                                     
REMARK   3      L13:  -0.4389 L23:  -3.8826                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0720 S12:   0.1301 S13:   0.4802                       
REMARK   3      S21:   0.1317 S22:  -0.2733 S23:   0.0737                       
REMARK   3      S31:  -0.7425 S32:   0.1868 S33:   0.0215                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 368 THROUGH 390 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  10.0598 -19.2242  15.7742              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0828 T22:   0.1569                                     
REMARK   3      T33:   0.1674 T12:  -0.0079                                     
REMARK   3      T13:  -0.0075 T23:  -0.0226                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.8235 L22:   4.1719                                     
REMARK   3      L33:   4.3602 L12:   0.0486                                     
REMARK   3      L13:  -1.1660 L23:  -0.0821                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0522 S12:   0.2525 S13:  -0.0726                       
REMARK   3      S21:  -0.1440 S22:  -0.0444 S23:   0.4804                       
REMARK   3      S31:  -0.0225 S32:  -0.4562 S33:  -0.0778                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 391 THROUGH 401 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  16.4375 -26.2835  14.7690              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1486 T22:   0.0994                                     
REMARK   3      T33:   0.1524 T12:  -0.0295                                     
REMARK   3      T13:   0.0121 T23:  -0.0151                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.3394 L22:   1.5123                                     
REMARK   3      L33:   4.3814 L12:   1.2325                                     
REMARK   3      L13:  -3.2348 L23:   0.0239                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2354 S12:  -0.1483 S13:  -0.2130                       
REMARK   3      S21:   0.0432 S22:  -0.0688 S23:   0.2820                       
REMARK   3      S31:   0.3643 S32:  -0.1600 S33:   0.2903                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 402 THROUGH 417 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  26.3839 -24.5667  21.5121              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1036 T22:   0.1904                                     
REMARK   3      T33:   0.1201 T12:  -0.0056                                     
REMARK   3      T13:   0.0020 T23:   0.0509                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9580 L22:   6.4357                                     
REMARK   3      L33:   6.8599 L12:  -0.5398                                     
REMARK   3      L13:   0.6318 L23:   5.1696                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1506 S12:  -0.4555 S13:  -0.2420                       
REMARK   3      S21:   0.3173 S22:   0.1266 S23:   0.0894                       
REMARK   3      S31:   0.3228 S32:   0.1662 S33:  -0.0134                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 418 THROUGH 422 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  25.0195 -14.2699  31.2931              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2118 T22:   0.4554                                     
REMARK   3      T33:   0.0900 T12:  -0.0090                                     
REMARK   3      T13:  -0.0100 T23:  -0.0598                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7042 L22:   4.3688                                     
REMARK   3      L33:   7.5052 L12:  -0.0596                                     
REMARK   3      L13:  -1.5986 L23:  -3.4151                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1452 S12:  -0.7380 S13:   0.0303                       
REMARK   3      S21:   0.3689 S22:  -0.4602 S23:  -0.0877                       
REMARK   3      S31:  -0.0896 S32:   0.8531 S33:  -0.6400                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 423 THROUGH 435 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  20.3950 -20.8760   9.1770              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1105 T22:   0.1318                                     
REMARK   3      T33:   0.0866 T12:  -0.0210                                     
REMARK   3      T13:  -0.0042 T23:   0.0147                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7112 L22:   2.4841                                     
REMARK   3      L33:   1.9791 L12:  -0.5510                                     
REMARK   3      L13:  -2.0525 L23:  -0.1632                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1217 S12:   0.2150 S13:  -0.2588                       
REMARK   3      S21:  -0.1885 S22:   0.0968 S23:   0.0565                       
REMARK   3      S31:   0.0865 S32:  -0.0899 S33:   0.0439                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 436 THROUGH 446 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  21.4795 -16.2634  17.1216              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0829 T22:   0.1492                                     
REMARK   3      T33:   0.0902 T12:  -0.0001                                     
REMARK   3      T13:  -0.0005 T23:   0.0167                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8624 L22:   1.0561                                     
REMARK   3      L33:   3.4028 L12:  -0.1142                                     
REMARK   3      L13:  -2.4946 L23:   0.4343                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1110 S12:  -0.1366 S13:   0.0794                       
REMARK   3      S21:   0.0517 S22:   0.1187 S23:   0.0619                       
REMARK   3      S31:  -0.1544 S32:   0.1009 S33:  -0.1190                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 447 THROUGH 455 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  12.9026 -17.5232  38.6037              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3452 T22:   0.2801                                     
REMARK   3      T33:   0.1675 T12:   0.0603                                     
REMARK   3      T13:   0.0839 T23:   0.0214                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4626 L22:   2.6511                                     
REMARK   3      L33:   7.3531 L12:  -0.2071                                     
REMARK   3      L13:  -1.0420 L23:   3.8464                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0577 S12:   0.0598 S13:  -0.0701                       
REMARK   3      S21:  -0.1596 S22:  -0.0910 S23:  -0.0916                       
REMARK   3      S31:   0.5385 S32:   0.3012 S33:   0.0735                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 456 THROUGH 468 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  21.3626 -13.3155  14.7028              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0753 T22:   0.1035                                     
REMARK   3      T33:   0.0838 T12:  -0.0202                                     
REMARK   3      T13:  -0.0140 T23:  -0.0086                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2451 L22:   2.7015                                     
REMARK   3      L33:   6.9608 L12:  -0.4284                                     
REMARK   3      L13:  -2.6366 L23:  -1.2538                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2484 S12:  -0.0549 S13:   0.2356                       
REMARK   3      S21:  -0.0033 S22:   0.0464 S23:   0.0449                       
REMARK   3      S31:  -0.3408 S32:  -0.0237 S33:  -0.3140                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 360 THROUGH 372 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  49.0531 -17.3451  19.0095              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0626 T22:   0.1182                                     
REMARK   3      T33:   0.1020 T12:  -0.0179                                     
REMARK   3      T13:   0.0200 T23:  -0.0061                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.8083 L22:   6.3923                                     
REMARK   3      L33:   7.2298 L12:  -0.5734                                     
REMARK   3      L13:  -0.4703 L23:   1.6326                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1004 S12:  -0.1250 S13:   0.1468                       
REMARK   3      S21:  -0.0832 S22:  -0.0286 S23:  -0.2357                       
REMARK   3      S31:  -0.1159 S32:  -0.0554 S33:  -0.0889                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 373 THROUGH 391 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  56.2461 -17.1488  24.6453              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0943 T22:   0.1856                                     
REMARK   3      T33:   0.1460 T12:  -0.0054                                     
REMARK   3      T13:  -0.0206 T23:  -0.0102                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5990 L22:   2.4965                                     
REMARK   3      L33:   4.0371 L12:   0.3668                                     
REMARK   3      L13:   0.0152 L23:   1.3259                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0266 S12:  -0.1079 S13:   0.0372                       
REMARK   3      S21:   0.1732 S22:   0.0680 S23:  -0.3298                       
REMARK   3      S31:  -0.0060 S32:   0.6227 S33:  -0.0483                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 392 THROUGH 401 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  48.2517 -26.3358  24.2182              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2034 T22:   0.1357                                     
REMARK   3      T33:   0.1264 T12:  -0.0155                                     
REMARK   3      T13:  -0.0047 T23:   0.0192                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.7571 L22:   0.8188                                     
REMARK   3      L33:   8.9475 L12:  -0.9277                                     
REMARK   3      L13:  -8.1580 L23:   0.0432                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5294 S12:   0.2119 S13:  -0.0776                       
REMARK   3      S21:  -0.0990 S22:   0.2245 S23:   0.0837                       
REMARK   3      S31:   1.0777 S32:  -0.1363 S33:   0.3083                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 402 THROUGH 417 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  37.0261 -23.8683  19.8848              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1045 T22:   0.1367                                     
REMARK   3      T33:   0.1659 T12:  -0.0369                                     
REMARK   3      T13:   0.0023 T23:   0.0041                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.1103 L22:   5.8578                                     
REMARK   3      L33:   3.6892 L12:  -0.7338                                     
REMARK   3      L13:   1.7561 L23:  -4.2949                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1187 S12:  -0.0100 S13:  -0.3300                       
REMARK   3      S21:  -0.0131 S22:   0.1588 S23:   0.1725                       
REMARK   3      S31:   0.2413 S32:  -0.0682 S33:  -0.2866                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 418 THROUGH 446 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  42.9189 -17.5524  25.1198              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1007 T22:   0.1406                                     
REMARK   3      T33:   0.1059 T12:  -0.0302                                     
REMARK   3      T13:   0.0215 T23:  -0.0049                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6163 L22:   1.7599                                     
REMARK   3      L33:   4.5025 L12:  -0.3512                                     
REMARK   3      L13:   0.2290 L23:  -1.5746                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0323 S12:  -0.0531 S13:  -0.0747                       
REMARK   3      S21:   0.1937 S22:   0.1414 S23:   0.0234                       
REMARK   3      S31:  -0.1988 S32:  -0.0604 S33:  -0.0893                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 447 THROUGH 466 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  46.2143 -14.9332  13.8880              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1043 T22:   0.1555                                     
REMARK   3      T33:   0.0926 T12:  -0.0238                                     
REMARK   3      T13:   0.0207 T23:  -0.0202                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1739 L22:   0.4792                                     
REMARK   3      L33:   8.3313 L12:  -0.1818                                     
REMARK   3      L13:  -0.5152 L23:   0.6415                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0551 S12:   0.0192 S13:   0.0629                       
REMARK   3      S21:   0.0972 S22:  -0.0034 S23:   0.0128                       
REMARK   3      S31:   0.1693 S32:  -0.3811 S33:   0.0027                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 234 THROUGH 272 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   5.0710  -5.2885  26.4749              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1340 T22:   0.1615                                     
REMARK   3      T33:   0.2452 T12:  -0.0006                                     
REMARK   3      T13:  -0.0262 T23:  -0.0132                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2162 L22:   4.6405                                     
REMARK   3      L33:   4.4266 L12:  -0.5652                                     
REMARK   3      L13:  -0.4683 L23:   0.6904                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1110 S12:   0.0647 S13:  -0.0081                       
REMARK   3      S21:  -0.1566 S22:  -0.0409 S23:   0.5666                       
REMARK   3      S31:  -0.0341 S32:  -0.4691 S33:  -0.0614                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 273 THROUGH 333 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  13.1080   1.6434  30.2313              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1503 T22:   0.1786                                     
REMARK   3      T33:   0.1560 T12:  -0.0309                                     
REMARK   3      T13:  -0.0202 T23:  -0.0290                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8981 L22:   4.9279                                     
REMARK   3      L33:   3.0407 L12:  -2.3918                                     
REMARK   3      L13:  -1.8703 L23:   1.5279                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0951 S12:  -0.2609 S13:   0.1244                       
REMARK   3      S21:   0.0905 S22:   0.3730 S23:  -0.2492                       
REMARK   3      S31:  -0.2108 S32:   0.2951 S33:  -0.1939                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 334 THROUGH 349 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   7.8322  -4.0132  31.1387              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1849 T22:   0.1374                                     
REMARK   3      T33:   0.2140 T12:   0.0341                                     
REMARK   3      T13:   0.0407 T23:   0.0539                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5964 L22:   4.6661                                     
REMARK   3      L33:   2.6580 L12:  -1.3950                                     
REMARK   3      L13:   0.1322 L23:   1.4722                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0045 S12:  -0.1014 S13:   0.2072                       
REMARK   3      S21:   0.3166 S22:   0.3071 S23:   0.4419                       
REMARK   3      S31:  -0.2681 S32:  -0.2259 S33:  -0.2610                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 236 THROUGH 248 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  57.2621 -10.2281   7.4607              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1187 T22:   0.2191                                     
REMARK   3      T33:   0.1780 T12:  -0.0198                                     
REMARK   3      T13:   0.0082 T23:  -0.0367                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3249 L22:   4.6811                                     
REMARK   3      L33:   2.1079 L12:  -1.2437                                     
REMARK   3      L13:  -0.2060 L23:   0.1302                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1652 S12:   0.3806 S13:  -0.0712                       
REMARK   3      S21:  -0.3531 S22:  -0.0053 S23:  -0.3769                       
REMARK   3      S31:   0.0831 S32:   0.3702 S33:  -0.0686                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 249 THROUGH 272 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  58.7904  -2.4060  15.0214              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1342 T22:   0.1296                                     
REMARK   3      T33:   0.1901 T12:  -0.0535                                     
REMARK   3      T13:  -0.0325 T23:   0.0170                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.8096 L22:   3.9718                                     
REMARK   3      L33:   3.7055 L12:   0.6708                                     
REMARK   3      L13:  -2.3851 L23:   1.1659                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0490 S12:  -0.0680 S13:  -0.0183                       
REMARK   3      S21:   0.2577 S22:   0.0078 S23:  -0.3823                       
REMARK   3      S31:  -0.0014 S32:   0.2094 S33:  -0.0640                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 273 THROUGH 282 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  56.3495   6.8500  12.1293              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1392 T22:   0.0864                                     
REMARK   3      T33:   0.1632 T12:  -0.0303                                     
REMARK   3      T13:   0.0166 T23:  -0.0165                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1549 L22:   5.1393                                     
REMARK   3      L33:   7.9126 L12:   0.8744                                     
REMARK   3      L13:   1.0519 L23:  -3.9873                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0856 S12:   0.1703 S13:   0.0542                       
REMARK   3      S21:   0.0526 S22:  -0.0399 S23:  -0.2959                       
REMARK   3      S31:  -0.1544 S32:   0.0837 S33:   0.0924                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 283 THROUGH 315 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  49.5408   3.8503   5.4267              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1737 T22:   0.1493                                     
REMARK   3      T33:   0.1169 T12:   0.0136                                     
REMARK   3      T13:  -0.0178 T23:  -0.0032                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.3609 L22:   3.5079                                     
REMARK   3      L33:   2.4341 L12:   1.6375                                     
REMARK   3      L13:  -0.7421 L23:  -0.4423                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0237 S12:   0.0578 S13:   0.0955                       
REMARK   3      S21:  -0.1896 S22:   0.1034 S23:   0.2108                       
REMARK   3      S31:  -0.4075 S32:  -0.1417 S33:  -0.0875                       
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 316 THROUGH 327 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  49.5097  -2.3803   7.3852              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0968 T22:   0.1444                                     
REMARK   3      T33:   0.0987 T12:  -0.0292                                     
REMARK   3      T13:  -0.0075 T23:  -0.0169                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.2749 L22:   3.3545                                     
REMARK   3      L33:   6.5703 L12:   2.2799                                     
REMARK   3      L13:  -6.0707 L23:  -2.4688                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0143 S12:  -0.0162 S13:   0.0999                       
REMARK   3      S21:  -0.1307 S22:   0.0499 S23:   0.0180                       
REMARK   3      S31:  -0.0761 S32:   0.0878 S33:  -0.0529                       
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 328 THROUGH 333 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  35.0292  -4.0235  25.9368              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3620 T22:   0.8444                                     
REMARK   3      T33:   0.4248 T12:  -0.0014                                     
REMARK   3      T13:   0.1472 T23:  -0.1024                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.1670 L22:   3.7980                                     
REMARK   3      L33:   6.5892 L12:   0.8628                                     
REMARK   3      L13:  -1.8867 L23:  -2.4847                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4482 S12:  -1.0979 S13:  -0.0380                       
REMARK   3      S21:   1.0822 S22:   0.3463 S23:   0.8227                       
REMARK   3      S31:   0.2528 S32:   0.7442 S33:  -0.0464                       
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 334 THROUGH 349 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  53.8072  -3.8193   7.7217              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1204 T22:   0.0995                                     
REMARK   3      T33:   0.1731 T12:  -0.0235                                     
REMARK   3      T13:   0.0010 T23:  -0.0354                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.7010 L22:   4.0178                                     
REMARK   3      L33:   3.4617 L12:   0.8987                                     
REMARK   3      L13:   0.3671 L23:  -0.3966                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0579 S12:  -0.0493 S13:   0.2242                       
REMARK   3      S21:  -0.1600 S22:   0.0811 S23:  -0.3167                       
REMARK   3      S31:  -0.0642 S32:   0.3081 S33:  -0.0814                       
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 4XT2 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-JAN-15.                  
REMARK 100 THE DEPOSITION ID IS D_1000206192.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 15-JUL-11                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
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) : 0.97926                            
REMARK 200  MONOCHROMATOR                  : DOUBLE CRYSTAL SI(111)             
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 V704                      
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000 V704                      
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 54343                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.698                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.8                               
REMARK 200  DATA REDUNDANCY                : 3.100                              
REMARK 200  R MERGE                    (I) : 0.05900                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 18.3000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.73                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.8                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.00                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.56200                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.800                              
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: PDB ENTRY 3F1P                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 45.59                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.26                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 2 UL 500 UM PROTEIN AGAINST 100 MM BIS   
REMARK 280  -TRIS, 25% PEG3350, PH 6.5, VAPOR DIFFUSION, HANGING DROP,          
REMARK 280  TEMPERATURE 293.15K                                                 
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       37.12650            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       42.19500            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000       37.12650            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       42.19500            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
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: 1970 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 11130 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -9.0 KCAL/MOL                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, 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                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
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: 1870 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 11060 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -12.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: D, C                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     GLY 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     GLN B   469                                                      
REMARK 465     GLU B   470                                                      
REMARK 465     GLY D   350                                                      
REMARK 465     GLU D   351                                                      
REMARK 465     PHE D   352                                                      
REMARK 465     LYS D   353                                                      
REMARK 465     GLY D   354                                                      
REMARK 465     LEU D   355                                                      
REMARK 465     ASN D   356                                                      
REMARK 465     VAL D   357                                                      
REMARK 465     CYS D   358                                                      
REMARK 465     GLN D   359                                                      
REMARK 465     SER D   467                                                      
REMARK 465     SER D   468                                                      
REMARK 465     GLN D   469                                                      
REMARK 465     GLU D   470                                                      
REMARK 465     ASN A   350                                                      
REMARK 465     GLY C   234                                                      
REMARK 465     GLU C   235                                                      
REMARK 465     ASN C   350                                                      
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     GLN B  359   CB   CG   CD   OE1  NE2                             
REMARK 480     GLN B  389   CG   CD   OE1                                       
REMARK 480     LYS B  394   CE   NZ                                             
REMARK 480     LYS B  417   NZ                                                  
REMARK 480     LYS B  419   CD   CE   NZ                                        
REMARK 480     LYS D  394   NZ                                                  
REMARK 480     LYS D  419   CE   NZ                                             
REMARK 480     ASP A  240   CG   OD1  OD2                                       
REMARK 480     LYS A  253   NZ                                                  
REMARK 480     ARG A  260   CD   NE   CZ   NH1  NH2                             
REMARK 480     GLU A  263   CG   CD   OE1  OE2                                  
REMARK 480     ARG A  275   NH1  NH2                                            
REMARK 480     LYS A  291   CG   CD   CE   NZ                                   
REMARK 480     GLN A  294   CG   CD   OE1  NE2                                  
REMARK 480     LYS A  299   CD   CE   NZ                                        
REMARK 480     GLN A  301   CD   OE1  NE2                                       
REMARK 480     GLN A  333   CG   CD   OE1  NE2                                  
REMARK 480     PHE C  236   CB   CG   CD1  CD2  CE1  CE2  CZ                    
REMARK 480     LYS C  237   CD   CE   NZ                                        
REMARK 480     GLU C  263   CD   OE1  OE2                                       
REMARK 480     GLN C  294   CG   CD   OE1  NE2                                  
REMARK 480     LYS C  299   CD   CE   NZ                                        
REMARK 480     LEU C  310   CG   CD1  CD2                                       
REMARK 480     ARG C  330   NE   CZ   NH1  NH2                                  
REMARK 480     GLN C  333   CB   CG   CD   OE1  NE2                             
REMARK 480     GLN C  335   CG   CD   OE1  NE2                                  
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   OG1  THR D   361     ND2  ASN D   463              2.10            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   OE2  GLU A   270     HE2  HIS C   268     1455     1.46            
REMARK 500   O    HOH B   543     O    HOH C   551     3445     2.14            
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 D 377   CB  -  CG  -  OD1 ANGL. DEV. =   6.8 DEGREES          
REMARK 500    ASP D 377   CB  -  CG  -  OD2 ANGL. DEV. =  -5.5 DEGREES          
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    ASP B 452       40.34   -109.15                                   
REMARK 500    GLN D 434       38.26     70.56                                   
REMARK 500    ASN C 331       -4.83    113.99                                   
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 43L A 401                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 43L C 401                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3F1P   RELATED DB: PDB                                   
REMARK 900 HIF2 ALPHA/ARNT C-TERMINAL PAS DOMAIN HETERODIMER WITH WATER IN THE  
REMARK 900 HIF-2 ALPHA PAS-B INTERNAL CAVITY                                    
REMARK 900 RELATED ID: 3F1O   RELATED DB: PDB                                   
REMARK 900 HIF2 ALPHA/ARNT C-TERMINAL PAS DOMAIN HETERODIMER WITH THE HIF-2     
REMARK 900 ALPHA PAS-B INTERNAL CAVITY OCCUPIED BY A MEDICINAL CHEMISTRY-       
REMARK 900 OPTIMIZED SMALL MOLECULE IDENTIFIED FROM AN NMR SCREEN OF A DRUG     
REMARK 900 FRAGMENT LIBRARY                                                     
REMARK 900 RELATED ID: 3HW7   RELATED DB: PDB                                   
REMARK 900 HIF2 ALPHA/ARNT C-TERMINAL PAS DOMAIN HETERODIMER WITH THE HIF-2     
REMARK 900 ALPHA PAS-B INTERNAL CAVITY OCCUPIED BY A MEDICINAL CHEMISTRY-       
REMARK 900 OPTIMIZED SMALL MOLECULE IDENTIFIED FROM AN NMR SCREEN OF A DRUG     
REMARK 900 FRAGMENT LIBRARY                                                     
REMARK 900 RELATED ID: 3H82   RELATED DB: PDB                                   
REMARK 900 HIF2 ALPHA/ARNT C-TERMINAL PAS DOMAIN HETERODIMER WITH THE HIF-2     
REMARK 900 ALPHA PAS-B INTERNAL CAVITY OCCUPIED BY A MEDICINAL CHEMISTRY-       
REMARK 900 OPTIMIZED SMALL MOLECULE IDENTIFIED FROM AN NMR SCREEN OF A DRUG     
REMARK 900 FRAGMENT LIBRARY                                                     
REMARK 900 RELATED ID: 4GHI   RELATED DB: PDB                                   
REMARK 900 HIF2 ALPHA/ARNT C-TERMINAL PAS DOMAIN HETERODIMER WITH THE HIF-2     
REMARK 900 ALPHA PAS-B INTERNAL CAVITY OCCUPIED BY A MEDICINAL CHEMISTRY-       
REMARK 900 OPTIMIZED SMALL MOLECULE IDENTIFIED FROM AN HTS SCREEN OF PROTEIN    
REMARK 900 HETERODIMER DISRUPTION THAT ATTENUATES HIF TRANSCRIPTION IN CELLS    
REMARK 900 RELATED ID: 4GS9   RELATED DB: PDB                                   
REMARK 900 HIF2 ALPHA/ARNT C-TERMINAL PAS DOMAIN HETERODIMER WITH THE HIF-2     
REMARK 900 ALPHA PAS-B INTERNAL CAVITY OCCUPIED BY AN INACTIVE ANALOG OF THE    
REMARK 900 SMALL MOLECULE IN PDB ENTRY 4GHI                                     
REMARK 900 RELATED ID: 4LPZ   RELATED DB: PDB                                   
REMARK 900 ARNT PAS-B DOMAIN IN COMPLEX WITH A COILED-COIL COACTIVATER          
DBREF  4XT2 B  356   470  UNP    P27540   ARNT_HUMAN     342    456             
DBREF  4XT2 D  356   470  UNP    P27540   ARNT_HUMAN     342    456             
DBREF  4XT2 C  239   350  UNP    Q99814   EPAS1_HUMAN    239    350             
DBREF  4XT2 A  239   350  UNP    Q99814   EPAS1_HUMAN    239    350             
SEQADV 4XT2 GLY B  350  UNP  P27540              EXPRESSION TAG                 
SEQADV 4XT2 GLU B  351  UNP  P27540              EXPRESSION TAG                 
SEQADV 4XT2 PHE B  352  UNP  P27540              EXPRESSION TAG                 
SEQADV 4XT2 LYS B  353  UNP  P27540              EXPRESSION TAG                 
SEQADV 4XT2 GLY B  354  UNP  P27540              EXPRESSION TAG                 
SEQADV 4XT2 LEU B  355  UNP  P27540              EXPRESSION TAG                 
SEQADV 4XT2 ARG B  362  UNP  P27540    GLU   348 ENGINEERED MUTATION            
SEQADV 4XT2 GLY D  350  UNP  P27540              EXPRESSION TAG                 
SEQADV 4XT2 GLU D  351  UNP  P27540              EXPRESSION TAG                 
SEQADV 4XT2 PHE D  352  UNP  P27540              EXPRESSION TAG                 
SEQADV 4XT2 LYS D  353  UNP  P27540              EXPRESSION TAG                 
SEQADV 4XT2 GLY D  354  UNP  P27540              EXPRESSION TAG                 
SEQADV 4XT2 LEU D  355  UNP  P27540              EXPRESSION TAG                 
SEQADV 4XT2 ARG D  362  UNP  P27540    GLU   348 ENGINEERED MUTATION            
SEQADV 4XT2 GLY C  234  UNP  Q99814              EXPRESSION TAG                 
SEQADV 4XT2 GLU C  235  UNP  Q99814              EXPRESSION TAG                 
SEQADV 4XT2 PHE C  236  UNP  Q99814              EXPRESSION TAG                 
SEQADV 4XT2 LYS C  237  UNP  Q99814              EXPRESSION TAG                 
SEQADV 4XT2 GLY C  238  UNP  Q99814              EXPRESSION TAG                 
SEQADV 4XT2 GLU C  247  UNP  Q99814    ARG   247 ENGINEERED MUTATION            
SEQADV 4XT2 GLY A  234  UNP  Q99814              EXPRESSION TAG                 
SEQADV 4XT2 GLU A  235  UNP  Q99814              EXPRESSION TAG                 
SEQADV 4XT2 PHE A  236  UNP  Q99814              EXPRESSION TAG                 
SEQADV 4XT2 LYS A  237  UNP  Q99814              EXPRESSION TAG                 
SEQADV 4XT2 GLY A  238  UNP  Q99814              EXPRESSION TAG                 
SEQADV 4XT2 GLU A  247  UNP  Q99814    ARG   247 ENGINEERED MUTATION            
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                                              
SEQRES   1 D  121  GLY GLU PHE LYS GLY LEU ASN VAL CYS GLN PRO THR ARG          
SEQRES   2 D  121  PHE ILE SER ARG HIS ASN ILE GLU GLY ILE PHE THR PHE          
SEQRES   3 D  121  VAL ASP HIS ARG CYS VAL ALA THR VAL GLY TYR GLN PRO          
SEQRES   4 D  121  GLN GLU LEU LEU GLY LYS ASN ILE VAL GLU PHE CYS HIS          
SEQRES   5 D  121  PRO GLU ASP GLN GLN LEU LEU ARG ASP SER PHE GLN GLN          
SEQRES   6 D  121  VAL VAL LYS LEU LYS GLY GLN VAL LEU SER VAL MET PHE          
SEQRES   7 D  121  ARG PHE ARG SER LYS ASN GLN GLU TRP LEU TRP MET ARG          
SEQRES   8 D  121  THR SER SER PHE THR PHE GLN ASN PRO TYR SER ASP GLU          
SEQRES   9 D  121  ILE GLU TYR ILE ILE CYS THR ASN THR ASN VAL LYS ASN          
SEQRES  10 D  121  SER SER GLN GLU                                              
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 C  117  GLY GLU PHE LYS GLY LEU ASP SER LYS THR PHE LEU SER          
SEQRES   2 C  117  GLU HIS SER MET ASP MET LYS PHE THR TYR CYS ASP ASP          
SEQRES   3 C  117  ARG ILE THR GLU LEU ILE GLY TYR HIS PRO GLU GLU LEU          
SEQRES   4 C  117  LEU GLY ARG SER ALA TYR GLU PHE TYR HIS ALA LEU ASP          
SEQRES   5 C  117  SER GLU ASN MET THR LYS SER HIS GLN ASN LEU CYS THR          
SEQRES   6 C  117  LYS GLY GLN VAL VAL SER GLY GLN TYR ARG MET LEU ALA          
SEQRES   7 C  117  LYS HIS GLY GLY TYR VAL TRP LEU GLU THR GLN GLY THR          
SEQRES   8 C  117  VAL ILE TYR ASN PRO ARG ASN LEU GLN PRO GLN CYS ILE          
SEQRES   9 C  117  MET CYS VAL ASN TYR VAL LEU SER GLU ILE GLU LYS ASN          
HET    43L  A 401      36                                                       
HET    43L  C 401      36                                                       
HETNAM     43L (5S,7R)-5,7-BIS(3-BROMOPHENYL)-4,5,6,7-                          
HETNAM   2 43L  TETRAHYDROTETRAZOLO[1,5-A]PYRIMIDINE                            
FORMUL   5  43L    2(C16 H13 BR2 N5)                                            
FORMUL   7  HOH   *310(H2 O)                                                    
HELIX    1 AA1 ARG B  379  GLY B  385  1                                   7    
HELIX    2 AA2 GLN B  387  LEU B  392  1                                   6    
HELIX    3 AA3 ASN B  395  CYS B  400  5                                   6    
HELIX    4 AA4 ASP B  404  LEU B  418  1                                  15    
HELIX    5 AA5 ARG D  379  GLY D  385  1                                   7    
HELIX    6 AA6 GLN D  387  LEU D  392  1                                   6    
HELIX    7 AA7 ASN D  395  CYS D  400  5                                   6    
HELIX    8 AA8 ASP D  404  LEU D  418  1                                  15    
HELIX    9 AA9 GLY A  238  SER A  241  5                                   4    
HELIX   10 AB1 ARG A  260  ILE A  265  1                                   6    
HELIX   11 AB2 HIS A  268  LEU A  273  1                                   6    
HELIX   12 AB3 SER A  276  PHE A  280  5                                   5    
HELIX   13 AB4 ASP A  285  GLY A  300  1                                  16    
HELIX   14 AB5 GLY C  238  SER C  241  5                                   4    
HELIX   15 AB6 ARG C  260  GLY C  266  1                                   7    
HELIX   16 AB7 HIS C  268  LEU C  272  5                                   5    
HELIX   17 AB8 SER C  276  PHE C  280  5                                   5    
HELIX   18 AB9 ASP C  285  GLY C  300  1                                  16    
SHEET    1 AA1 5 PHE B 373  VAL B 376  0                                        
SHEET    2 AA1 5 ARG B 362  HIS B 367 -1  N  ARG B 366   O  THR B 374           
SHEET    3 AA1 5 TYR B 456  ASN B 463 -1  O  CYS B 459   N  SER B 365           
SHEET    4 AA1 5 TRP B 436  PHE B 446 -1  N  PHE B 444   O  ILE B 458           
SHEET    5 AA1 5 LEU B 423  ARG B 430 -1  N  LEU B 423   O  SER B 443           
SHEET    1 AA2 5 PHE D 373  VAL D 376  0                                        
SHEET    2 AA2 5 ARG D 362  HIS D 367 -1  N  ARG D 366   O  THR D 374           
SHEET    3 AA2 5 TYR D 456  ASN D 463 -1  O  CYS D 459   N  SER D 365           
SHEET    4 AA2 5 TRP D 436  PHE D 446 -1  N  PHE D 444   O  ILE D 458           
SHEET    5 AA2 5 LEU D 423  ARG D 430 -1  N  LEU D 423   O  SER D 443           
SHEET    1 AA3 5 PHE A 254  CYS A 257  0                                        
SHEET    2 AA3 5 THR A 243  HIS A 248 -1  N  GLU A 247   O  THR A 255           
SHEET    3 AA3 5 PRO A 334  VAL A 343 -1  O  CYS A 339   N  SER A 246           
SHEET    4 AA3 5 TYR A 316  TYR A 327 -1  N  ILE A 326   O  GLN A 335           
SHEET    5 AA3 5 GLN A 301  VAL A 303 -1  N  VAL A 302   O  GLY A 323           
SHEET    1 AA4 5 PHE A 254  CYS A 257  0                                        
SHEET    2 AA4 5 THR A 243  HIS A 248 -1  N  GLU A 247   O  THR A 255           
SHEET    3 AA4 5 PRO A 334  VAL A 343 -1  O  CYS A 339   N  SER A 246           
SHEET    4 AA4 5 TYR A 316  TYR A 327 -1  N  ILE A 326   O  GLN A 335           
SHEET    5 AA4 5 TYR A 307  LEU A 310 -1  N  TYR A 307   O  LEU A 319           
SHEET    1 AA5 5 PHE C 254  CYS C 257  0                                        
SHEET    2 AA5 5 THR C 243  HIS C 248 -1  N  GLU C 247   O  THR C 255           
SHEET    3 AA5 5 PRO C 334  VAL C 343 -1  O  CYS C 339   N  SER C 246           
SHEET    4 AA5 5 TYR C 316  TYR C 327 -1  N  ILE C 326   O  GLN C 335           
SHEET    5 AA5 5 GLN C 301  VAL C 303 -1  N  VAL C 302   O  GLY C 323           
SHEET    1 AA6 5 PHE C 254  CYS C 257  0                                        
SHEET    2 AA6 5 THR C 243  HIS C 248 -1  N  GLU C 247   O  THR C 255           
SHEET    3 AA6 5 PRO C 334  VAL C 343 -1  O  CYS C 339   N  SER C 246           
SHEET    4 AA6 5 TYR C 316  TYR C 327 -1  N  ILE C 326   O  GLN C 335           
SHEET    5 AA6 5 TYR C 307  LEU C 310 -1  N  TYR C 307   O  LEU C 319           
SITE     1 AC1 12 HIS A 248  MET A 252  PHE A 280  TYR A 281                    
SITE     2 AC1 12 MET A 289  SER A 292  HIS A 293  VAL A 302                    
SITE     3 AC1 12 TYR A 307  GLY A 323  ASN A 341  HOH A 505                    
SITE     1 AC2 13 HIS C 248  MET C 252  TYR C 281  MET C 289                    
SITE     2 AC2 13 SER C 292  HIS C 293  VAL C 302  TYR C 307                    
SITE     3 AC2 13 GLY C 323  CYS C 339  ASN C 341  HOH C 515                    
SITE     4 AC2 13 HOH C 519                                                     
CRYST1   74.253   84.390   82.784  90.00 104.39  90.00 C 1 2 1       8          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.013467  0.000000  0.003455        0.00000                         
SCALE2      0.000000  0.011850  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.012471        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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