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Database: PDB
Entry: 6M93
LinkDB: 6M93
Original site: 6M93 
HEADER    LIGASE                                  22-AUG-18   6M93              
TITLE     MONOPHOSPHORYLATED PSER33 B-CATENIN PEPTIDE, B-TRCP/SKP1, NRX-1933    
TITLE    2 TERNARY COMPLEX                                                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: F-BOX/WD REPEAT-CONTAINING PROTEIN 1A;                     
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: E3RSIKAPPAB,EPIDIDYMIS TISSUE PROTEIN LI 2A,F-BOX AND WD    
COMPND   5 REPEATS PROTEIN BETA-TRCP,PIKAPPABALPHA-E3 RECEPTOR SUBUNIT;         
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: S-PHASE KINASE-ASSOCIATED PROTEIN 1;                       
COMPND   9 CHAIN: B;                                                            
COMPND  10 SYNONYM: CYCLIN-A/CDK2-ASSOCIATED PROTEIN P19,P19A,ORGAN OF CORTI    
COMPND  11 PROTEIN 2,OCP-2,ORGAN OF CORTI PROTEIN II,OCP-II,RNA POLYMERASE II   
COMPND  12 ELONGATION FACTOR-LIKE PROTEIN,SIII,TRANSCRIPTION ELONGATION FACTOR B
COMPND  13 POLYPEPTIDE 1-LIKE,P19SKP1;                                          
COMPND  14 ENGINEERED: YES;                                                     
COMPND  15 MOL_ID: 3;                                                           
COMPND  16 MOLECULE: CATENIN BETA-1;                                            
COMPND  17 CHAIN: C;                                                            
COMPND  18 SYNONYM: BETA-CATENIN;                                               
COMPND  19 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: BTRC, BTRCP, FBW1A, FBXW1A;                                    
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  10 ORGANISM_COMMON: HUMAN;                                              
SOURCE  11 ORGANISM_TAXID: 9606;                                                
SOURCE  12 GENE: SKP1, EMC19, OCP2, SKP1A, TCEB1L;                              
SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  15 MOL_ID: 3;                                                           
SOURCE  16 SYNTHETIC: YES;                                                      
SOURCE  17 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  18 ORGANISM_COMMON: HUMAN;                                              
SOURCE  19 ORGANISM_TAXID: 9606                                                 
KEYWDS    UBIQUITIN MOLECULAR GLUE ENHANCER, LIGASE                             
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    K.R.SIMONETTA,M.C.CLIFTON,R.L.WALTER,G.M.RANIERI,S.J.LEE              
REVDAT   2   10-APR-19 6M93    1       JRNL                                     
REVDAT   1   03-APR-19 6M93    0                                                
JRNL        AUTH   K.R.SIMONETTA,J.TAYGERLY,K.BOYLE,S.E.BASHAM,C.PADOVANI,      
JRNL        AUTH 2 Y.LOU,T.J.CUMMINS,S.L.YUNG,S.K.VON SOLY,F.KAYSER,J.KURIYAN,  
JRNL        AUTH 3 M.RAPE,M.CARDOZO,M.A.GALLOP,N.F.BENCE,P.A.BARSANTI,A.SAHA    
JRNL        TITL   PROSPECTIVE DISCOVERY OF SMALL MOLECULE ENHANCERS OF AN E3   
JRNL        TITL 2 LIGASE-SUBSTRATE INTERACTION.                                
JRNL        REF    NAT COMMUN                    V.  10  1402 2019              
JRNL        REFN                   ESSN 2041-1723                               
JRNL        PMID   30926793                                                     
JRNL        DOI    10.1038/S41467-019-09358-9                                   
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.50 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.13_2998                                     
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 41.27                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.980                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.4                           
REMARK   3   NUMBER OF REFLECTIONS             : 29129                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.215                           
REMARK   3   R VALUE            (WORKING SET) : 0.214                           
REMARK   3   FREE R VALUE                     : 0.230                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 6.910                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2013                            
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 41.2706 -  6.0198    0.95     1852   138  0.1995 0.1970        
REMARK   3     2  6.0198 -  4.7804    0.99     1915   152  0.1914 0.2045        
REMARK   3     3  4.7804 -  4.1768    0.99     1950   133  0.1653 0.1689        
REMARK   3     4  4.1768 -  3.7952    0.99     1949   149  0.2011 0.2219        
REMARK   3     5  3.7952 -  3.5233    1.00     1937   144  0.2138 0.2368        
REMARK   3     6  3.5233 -  3.3157    1.00     1928   135  0.2301 0.2588        
REMARK   3     7  3.3157 -  3.1497    1.00     1957   154  0.2512 0.2843        
REMARK   3     8  3.1497 -  3.0126    1.00     1955   148  0.2587 0.2835        
REMARK   3     9  3.0126 -  2.8967    1.00     1954   142  0.2680 0.3115        
REMARK   3    10  2.8967 -  2.7968    1.00     1966   144  0.2801 0.3263        
REMARK   3    11  2.7968 -  2.7093    1.00     1914   142  0.2859 0.3084        
REMARK   3    12  2.7093 -  2.6319    1.00     1966   154  0.2919 0.3353        
REMARK   3    13  2.6319 -  2.5626    1.00     1934   138  0.2904 0.3115        
REMARK   3    14  2.5626 -  2.5001    1.00     1939   140  0.3158 0.3464        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : NULL                                          
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.360            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 27.070           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 73.77                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 90.18                          
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      :   NULL           NULL                                  
REMARK   3   ANGLE     :   NULL           NULL                                  
REMARK   3   CHIRALITY :   NULL           NULL                                  
REMARK   3   PLANARITY :   NULL           NULL                                  
REMARK   3   DIHEDRAL  :   NULL           NULL                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 15                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 3 THROUGH 8 )                     
REMARK   3    ORIGIN FOR THE GROUP (A):   5.9045 -73.7519  -9.3383              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.3722 T22:   1.6259                                     
REMARK   3      T33:   1.1138 T12:  -0.3838                                     
REMARK   3      T13:   0.5326 T23:   0.0381                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0323 L22:   0.0314                                     
REMARK   3      L33:   0.0421 L12:  -0.0233                                     
REMARK   3      L13:  -0.0136 L23:   0.0453                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0724 S12:  -0.1369 S13:   0.0240                       
REMARK   3      S21:  -0.0584 S22:   0.0998 S23:   0.1171                       
REMARK   3      S31:   0.3695 S32:   0.0889 S33:   0.0002                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 9 THROUGH 17 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):   9.1319 -75.7508  -6.3631              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1043 T22:   1.6038                                     
REMARK   3      T33:   0.8145 T12:   0.0286                                     
REMARK   3      T13:   0.3042 T23:   0.1048                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0445 L22:   0.0198                                     
REMARK   3      L33:   0.0025 L12:   0.0156                                     
REMARK   3      L13:  -0.0074 L23:  -0.0101                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2445 S12:  -0.2798 S13:  -0.2067                       
REMARK   3      S21:   0.6800 S22:  -0.2632 S23:  -0.4150                       
REMARK   3      S31:  -0.0899 S32:  -0.2935 S33:   0.0000                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 18 THROUGH 24 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   5.1545 -62.3158  -8.3512              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1587 T22:   1.7964                                     
REMARK   3      T33:   1.2437 T12:   0.4659                                     
REMARK   3      T13:   0.1660 T23:  -0.2951                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0467 L22:   0.0142                                     
REMARK   3      L33:   0.0153 L12:   0.0245                                     
REMARK   3      L13:  -0.0038 L23:  -0.0096                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1072 S12:   0.0711 S13:   0.0183                       
REMARK   3      S21:  -0.1352 S22:  -0.3801 S23:   0.3026                       
REMARK   3      S31:  -0.1431 S32:   0.0956 S33:   0.0002                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 25 THROUGH 32 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   6.6697 -64.7422 -16.5233              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8086 T22:   1.6805                                     
REMARK   3      T33:   1.2689 T12:   0.3001                                     
REMARK   3      T13:   0.2659 T23:   0.1768                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0147 L22:   0.0280                                     
REMARK   3      L33:   0.0388 L12:  -0.0042                                     
REMARK   3      L13:  -0.0077 L23:  -0.0148                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3482 S12:   0.0547 S13:   0.0429                       
REMARK   3      S21:  -0.1861 S22:   0.4170 S23:   0.5253                       
REMARK   3      S31:  -0.0127 S32:  -0.1984 S33:   0.0000                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 33 THROUGH 38 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   3.2850 -70.9967 -18.9775              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1032 T22:   2.3719                                     
REMARK   3      T33:   1.2644 T12:   0.1654                                     
REMARK   3      T13:   0.2886 T23:   0.1162                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0320 L22:   0.0505                                     
REMARK   3      L33:   0.1086 L12:   0.0352                                     
REMARK   3      L13:   0.0567 L23:   0.0688                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.8626 S12:  -0.3827 S13:   0.1820                       
REMARK   3      S21:   0.0342 S22:  -0.2917 S23:   0.2314                       
REMARK   3      S31:  -0.2306 S32:  -0.2635 S33:  -0.0064                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 39 THROUGH 45 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  14.5934 -73.1369 -12.4196              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9542 T22:   1.3395                                     
REMARK   3      T33:   0.9530 T12:   0.0688                                     
REMARK   3      T13:   0.3828 T23:   0.0655                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0737 L22:   0.2174                                     
REMARK   3      L33:   0.0688 L12:  -0.1319                                     
REMARK   3      L13:   0.0676 L23:  -0.1227                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4253 S12:   0.1910 S13:  -0.1073                       
REMARK   3      S21:   0.5238 S22:  -0.4234 S23:  -0.6325                       
REMARK   3      S31:  -0.2210 S32:  -0.4692 S33:   0.0002                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 46 THROUGH 58 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  12.9095 -66.1704  -0.9685              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.3017 T22:   1.4383                                     
REMARK   3      T33:   0.9736 T12:   0.1216                                     
REMARK   3      T13:   0.6095 T23:   0.1400                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0621 L22:   0.4457                                     
REMARK   3      L33:   0.3138 L12:  -0.4817                                     
REMARK   3      L13:   0.5707 L23:  -0.1694                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2490 S12:  -1.0092 S13:   0.6281                       
REMARK   3      S21:   0.4006 S22:  -0.5381 S23:  -0.2242                       
REMARK   3      S31:  -0.5779 S32:  -0.5956 S33:  -0.0766                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 59 THROUGH 78 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  18.6302 -59.6652   4.9669              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.3942 T22:   1.6664                                     
REMARK   3      T33:   0.8228 T12:   0.1634                                     
REMARK   3      T13:   0.2777 T23:  -0.1819                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2459 L22:   3.3032                                     
REMARK   3      L33:   0.7081 L12:   0.8422                                     
REMARK   3      L13:  -0.3644 L23:  -1.5072                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4499 S12:  -0.6602 S13:  -0.2394                       
REMARK   3      S21:   0.5987 S22:  -1.4013 S23:  -0.1395                       
REMARK   3      S31:  -0.2668 S32:  -0.2625 S33:  -0.3058                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 79 THROUGH 94 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  21.4563 -64.5247  -7.9146              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1624 T22:   1.2131                                     
REMARK   3      T33:   0.8487 T12:   0.3238                                     
REMARK   3      T13:   0.2307 T23:   0.0687                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1641 L22:   0.1771                                     
REMARK   3      L33:   0.0297 L12:   0.1902                                     
REMARK   3      L13:  -0.0134 L23:  -0.0293                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3115 S12:   0.0111 S13:  -0.5566                       
REMARK   3      S21:   1.3742 S22:  -0.1470 S23:   0.6355                       
REMARK   3      S31:   0.4986 S32:  -0.3916 S33:   0.0006                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 95 THROUGH 109 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  24.0109 -55.3601  -3.4367              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.3059 T22:   1.1411                                     
REMARK   3      T33:   0.7955 T12:   0.4843                                     
REMARK   3      T13:   0.2738 T23:  -0.1048                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3291 L22:   0.7677                                     
REMARK   3      L33:   0.9382 L12:  -0.9851                                     
REMARK   3      L13:   1.0355 L23:  -0.8258                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3071 S12:   0.0787 S13:   0.2896                       
REMARK   3      S21:   0.9273 S22:  -0.1751 S23:   0.4426                       
REMARK   3      S31:  -0.5525 S32:  -0.2169 S33:  -0.1322                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 110 THROUGH 128 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  42.6849 -57.4814  -2.6423              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.4101 T22:   0.7917                                     
REMARK   3      T33:   0.7494 T12:   0.4612                                     
REMARK   3      T13:  -0.0792 T23:  -0.1901                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6929 L22:   1.7777                                     
REMARK   3      L33:   0.0279 L12:   1.2296                                     
REMARK   3      L13:  -0.0913 L23:  -0.1924                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1676 S12:  -1.0641 S13:  -0.4583                       
REMARK   3      S21:   1.0566 S22:  -0.4007 S23:  -0.5570                       
REMARK   3      S31:   0.2677 S32:   0.5007 S33:  -0.0775                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 129 THROUGH 139 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  50.8056 -48.7889 -10.1095              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9806 T22:   1.0541                                     
REMARK   3      T33:   1.5731 T12:   0.2432                                     
REMARK   3      T13:  -0.1645 T23:   0.2768                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0510 L22:   0.0080                                     
REMARK   3      L33:   0.0228 L12:   0.0195                                     
REMARK   3      L13:  -0.0415 L23:  -0.0139                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6743 S12:   0.1917 S13:  -0.0112                       
REMARK   3      S21:   0.0392 S22:   0.4799 S23:   0.3116                       
REMARK   3      S31:   0.1156 S32:  -0.4099 S33:   0.0000                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 30 THROUGH 40 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   6.0739  -0.6324   5.7470              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8749 T22:   0.5826                                     
REMARK   3      T33:   0.7157 T12:   0.0619                                     
REMARK   3      T13:   0.0657 T23:  -0.0775                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0239 L22:   0.0374                                     
REMARK   3      L33:   0.0490 L12:   0.0179                                     
REMARK   3      L13:  -0.0055 L23:   0.0615                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4903 S12:  -0.2848 S13:   0.4348                       
REMARK   3      S21:   0.4458 S22:  -0.0988 S23:  -0.1291                       
REMARK   3      S31:   0.3256 S32:  -0.0774 S33:   0.0000                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 138 THROUGH 252 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  33.6870 -43.6490 -11.4505              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0058 T22:   0.6642                                     
REMARK   3      T33:   0.9171 T12:   0.3337                                     
REMARK   3      T13:   0.0701 T23:  -0.0633                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0197 L22:   0.8509                                     
REMARK   3      L33:   0.2892 L12:  -0.2683                                     
REMARK   3      L13:   0.3016 L23:   0.5285                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0115 S12:  -0.0743 S13:   0.4641                       
REMARK   3      S21:  -0.0711 S22:  -0.0811 S23:  -0.2577                       
REMARK   3      S31:   0.2009 S32:   0.1101 S33:   0.0118                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 253 THROUGH 547 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  11.4286 -13.1670  -1.5616              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7688 T22:   0.4175                                     
REMARK   3      T33:   0.6475 T12:   0.1370                                     
REMARK   3      T13:  -0.0701 T23:  -0.0315                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.8972 L22:   1.9711                                     
REMARK   3      L33:   2.4874 L12:  -0.2947                                     
REMARK   3      L13:  -0.3378 L23:  -0.3127                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1646 S12:   0.0856 S13:  -0.1186                       
REMARK   3      S21:  -0.0004 S22:   0.0106 S23:  -0.2834                       
REMARK   3      S31:   0.1610 S32:  -0.1397 S33:  -0.0000                       
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 6M93 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-AUG-18.                  
REMARK 100 THE DEPOSITION ID IS D_1000236369.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 27-JAN-14                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : CLSI                               
REMARK 200  BEAMLINE                       : 08ID-1                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9795                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : RAYONIX MX-300                     
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : XSCALE                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 29168                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.500                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 41.265                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.5                               
REMARK 200  DATA REDUNDANCY                : 4.115                              
REMARK 200  R MERGE                    (I) : 0.11500                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 10.9100                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.50                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.57                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.44                               
REMARK 200  R MERGE FOR SHELL          (I) : 1.94000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 0.940                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL                         
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 60.97                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.15                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 8% PEG 4000 0.1M BTP PH 5.5, VAPOR       
REMARK 280  DIFFUSION, HANGING DROP, TEMPERATURE 293K                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31                             
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+1/3                                            
REMARK 290       3555   -X+Y,-X,Z+2/3                                           
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       37.08667            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       74.17333            
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: TRIMERIC                          
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC                   
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 4090 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 23160 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -40.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, 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     ASN A   219                                                      
REMARK 465     LYS A   220                                                      
REMARK 465     PRO A   221                                                      
REMARK 465     PRO A   222                                                      
REMARK 465     ASP A   223                                                      
REMARK 465     GLY A   224                                                      
REMARK 465     ASN A   225                                                      
REMARK 465     ALA A   226                                                      
REMARK 465     ASN A   548                                                      
REMARK 465     ASP A   549                                                      
REMARK 465     PRO A   550                                                      
REMARK 465     ALA A   551                                                      
REMARK 465     ALA A   552                                                      
REMARK 465     GLN A   553                                                      
REMARK 465     ALA A   554                                                      
REMARK 465     GLU A   555                                                      
REMARK 465     PRO A   556                                                      
REMARK 465     PRO A   557                                                      
REMARK 465     ARG A   558                                                      
REMARK 465     SER A   559                                                      
REMARK 465     PRO A   560                                                      
REMARK 465     SER A   561                                                      
REMARK 465     ARG A   562                                                      
REMARK 465     THR A   563                                                      
REMARK 465     TYR A   564                                                      
REMARK 465     THR A   565                                                      
REMARK 465     TYR A   566                                                      
REMARK 465     ILE A   567                                                      
REMARK 465     SER A   568                                                      
REMARK 465     ARG A   569                                                      
REMARK 465     PRO B     2                                                      
REMARK 465     LYS B    60                                                      
REMARK 465     ASP B    61                                                      
REMARK 465     ASP B    62                                                      
REMARK 465     PRO B    63                                                      
REMARK 465     PRO B    64                                                      
REMARK 465     ASP B    65                                                      
REMARK 465     ASP B    66                                                      
REMARK 465     ILE B    67                                                      
REMARK 465     GLN B   140                                                      
REMARK 465     TRP B   141                                                      
REMARK 465     CYS B   142                                                      
REMARK 465     GLU B   143                                                      
REMARK 465     GLU B   144                                                      
REMARK 465     LYS B   145                                                      
REMARK 465     CYS C    16                                                      
REMARK 465     ASP C    17                                                      
REMARK 465     ARG C    18                                                      
REMARK 465     LYS C    19                                                      
REMARK 465     ALA C    20                                                      
REMARK 465     ALA C    21                                                      
REMARK 465     VAL C    22                                                      
REMARK 465     SER C    23                                                      
REMARK 465     HIS C    24                                                      
REMARK 465     TRP C    25                                                      
REMARK 465     GLN C    26                                                      
REMARK 465     GLN C    27                                                      
REMARK 465     GLN C    28                                                      
REMARK 465     SER C    29                                                      
REMARK 465     THR C    41                                                      
REMARK 465     THR C    42                                                      
REMARK 465     ALA C    43                                                      
REMARK 465     PRO C    44                                                      
REMARK 465     SER C    45                                                      
REMARK 465     LEU C    46                                                      
REMARK 465     SER C    47                                                      
REMARK 465     GLY C    48                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     SER A 138    OG                                                  
REMARK 470     LEU A 140    CG   CD1  CD2                                       
REMARK 470     LYS A 167    CG   CD   CE   NZ                                   
REMARK 470     LYS A 177    CG   CD   CE   NZ                                   
REMARK 470     LYS A 191    CG   CD   CE   NZ                                   
REMARK 470     ARG A 198    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG A 204    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU A 208    CG   CD   OE1  OE2                                  
REMARK 470     ARG A 209    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLN A 214    CG   CD   OE1  NE2                                  
REMARK 470     LYS A 218    CG   CD   CE   NZ                                   
REMARK 470     GLN A 241    CG   CD   OE1  NE2                                  
REMARK 470     GLU A 244    CG   CD   OE1  OE2                                  
REMARK 470     GLU A 247    CG   CD   OE1  OE2                                  
REMARK 470     ARG A 251    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG A 254    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU A 265    CG   CD   OE1  OE2                                  
REMARK 470     LYS A 300    CG   CD   CE   NZ                                   
REMARK 470     ARG A 301    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU A 317    CG   CD   OE1  OE2                                  
REMARK 470     ARG A 318    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU A 338    CG   CD   OE1  OE2                                  
REMARK 470     ASN A 357    CG   OD1  ND2                                       
REMARK 470     LYS A 430    CG   CD   CE   NZ                                   
REMARK 470     ARG A 439    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU A 470    CG   CD   OE1  OE2                                  
REMARK 470     GLU A 471    CG   CD   OE1  OE2                                  
REMARK 470     ASN A 480    CG   OD1  ND2                                       
REMARK 470     ARG A 504    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS B   5    CG   CD   CE   NZ                                   
REMARK 470     GLU B  12    CG   CD   OE1  OE2                                  
REMARK 470     GLU B  15    CG   CD   OE1  OE2                                  
REMARK 470     ASP B  17    CG   OD1  OD2                                       
REMARK 470     GLU B  19    CG   CD   OE1  OE2                                  
REMARK 470     ILE B  20    CG1  CG2  CD1                                       
REMARK 470     LYS B  22    CG   CD   CE   NZ                                   
REMARK 470     LYS B  28    CG   CD   CE   NZ                                   
REMARK 470     GLU B  32    CG   CD   OE1  OE2                                  
REMARK 470     LYS B  50    CG   CD   CE   NZ                                   
REMARK 470     ASP B  71    CG   OD1  OD2                                       
REMARK 470     GLU B  73    CG   CD   OE1  OE2                                  
REMARK 470     LYS B  76    CG   CD   CE   NZ                                   
REMARK 470     ASP B  78    CG   OD1  OD2                                       
REMARK 470     LYS B 103    CG   CD   CE   NZ                                   
REMARK 470     LYS B 110    CG   CD   CE   NZ                                   
REMARK 470     GLU B 115    CG   CD   OE1  OE2                                  
REMARK 470     LYS B 119    CG   CD   CE   NZ                                   
REMARK 470     GLU B 130    CG   CD   OE1  OE2                                  
REMARK 470     GLN B 134    CG   CD   OE1  NE2                                  
REMARK 470     LYS B 137    CG   CD   CE   NZ                                   
REMARK 470     GLU B 138    CG   CD   OE1  OE2                                  
REMARK 470     TYR C  30    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470     THR C  40    OG1  CG2                                            
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   OG   SER B    24     O    LEU B    92              2.09            
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    THR A 266      -79.29   -118.62                                   
REMARK 500    ASN A 287        4.14     87.96                                   
REMARK 500    ASP A 316     -159.37   -130.31                                   
REMARK 500    SER A 327        6.76     80.01                                   
REMARK 500    HIS A 345      -53.19   -145.14                                   
REMARK 500    ASN A 356      139.74   -178.53                                   
REMARK 500    ARG A 367        7.29     83.33                                   
REMARK 500    ASP A 440     -113.06     59.96                                   
REMARK 500    ARG A 464      136.81   -172.05                                   
REMARK 500    ASP A 479     -148.95   -123.32                                   
REMARK 500    SER C  37     -164.78   -104.69                                   
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 J8Y A 601                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue PO4 A 602                 
DBREF  6M93 A  139   569  UNP    Q9Y297   FBW1A_HUMAN    175    605             
DBREF  6M93 B    2   145  UNP    P63208   SKP1_HUMAN       2    163             
DBREF  6M93 C   17    48  UNP    P35222   CTNB1_HUMAN     17     48             
SEQADV 6M93 SER A  138  UNP  Q9Y297              EXPRESSION TAG                 
SEQADV 6M93     B       UNP  P63208    ASP    37 DELETION                       
SEQADV 6M93     B       UNP  P63208    ASP    38 DELETION                       
SEQADV 6M93     B       UNP  P63208    GLU    39 DELETION                       
SEQADV 6M93     B       UNP  P63208    GLY    40 DELETION                       
SEQADV 6M93     B       UNP  P63208    ASP    41 DELETION                       
SEQADV 6M93     B       UNP  P63208    ASP    42 DELETION                       
SEQADV 6M93     B       UNP  P63208    PRO    71 DELETION                       
SEQADV 6M93     B       UNP  P63208    PRO    72 DELETION                       
SEQADV 6M93     B       UNP  P63208    GLU    73 DELETION                       
SEQADV 6M93     B       UNP  P63208    ASP    74 DELETION                       
SEQADV 6M93     B       UNP  P63208    ASP    75 DELETION                       
SEQADV 6M93     B       UNP  P63208    GLU    76 DELETION                       
SEQADV 6M93     B       UNP  P63208    ASN    77 DELETION                       
SEQADV 6M93     B       UNP  P63208    LYS    78 DELETION                       
SEQADV 6M93     B       UNP  P63208    GLU    79 DELETION                       
SEQADV 6M93     B       UNP  P63208    LYS    80 DELETION                       
SEQADV 6M93     B       UNP  P63208    ARG    81 DELETION                       
SEQADV 6M93     B       UNP  P63208    THR    82 DELETION                       
SEQADV 6M93 CYS C   16  UNP  P35222              EXPRESSION TAG                 
SEQRES   1 A  432  SER MET LEU GLN ARG ASP PHE ILE THR ALA LEU PRO ALA          
SEQRES   2 A  432  ARG GLY LEU ASP HIS ILE ALA GLU ASN ILE LEU SER TYR          
SEQRES   3 A  432  LEU ASP ALA LYS SER LEU CYS ALA ALA GLU LEU VAL CYS          
SEQRES   4 A  432  LYS GLU TRP TYR ARG VAL THR SER ASP GLY MET LEU TRP          
SEQRES   5 A  432  LYS LYS LEU ILE GLU ARG MET VAL ARG THR ASP SER LEU          
SEQRES   6 A  432  TRP ARG GLY LEU ALA GLU ARG ARG GLY TRP GLY GLN TYR          
SEQRES   7 A  432  LEU PHE LYS ASN LYS PRO PRO ASP GLY ASN ALA PRO PRO          
SEQRES   8 A  432  ASN SER PHE TYR ARG ALA LEU TYR PRO LYS ILE ILE GLN          
SEQRES   9 A  432  ASP ILE GLU THR ILE GLU SER ASN TRP ARG CYS GLY ARG          
SEQRES  10 A  432  HIS SER LEU GLN ARG ILE HIS CYS ARG SER GLU THR SER          
SEQRES  11 A  432  LYS GLY VAL TYR CYS LEU GLN TYR ASP ASP GLN LYS ILE          
SEQRES  12 A  432  VAL SER GLY LEU ARG ASP ASN THR ILE LYS ILE TRP ASP          
SEQRES  13 A  432  LYS ASN THR LEU GLU CYS LYS ARG ILE LEU THR GLY HIS          
SEQRES  14 A  432  THR GLY SER VAL LEU CYS LEU GLN TYR ASP GLU ARG VAL          
SEQRES  15 A  432  ILE ILE THR GLY SER SER ASP SER THR VAL ARG VAL TRP          
SEQRES  16 A  432  ASP VAL ASN THR GLY GLU MET LEU ASN THR LEU ILE HIS          
SEQRES  17 A  432  HIS CYS GLU ALA VAL LEU HIS LEU ARG PHE ASN ASN GLY          
SEQRES  18 A  432  MET MET VAL THR CYS SER LYS ASP ARG SER ILE ALA VAL          
SEQRES  19 A  432  TRP ASP MET ALA SER PRO THR ASP ILE THR LEU ARG ARG          
SEQRES  20 A  432  VAL LEU VAL GLY HIS ARG ALA ALA VAL ASN VAL VAL ASP          
SEQRES  21 A  432  PHE ASP ASP LYS TYR ILE VAL SER ALA SER GLY ASP ARG          
SEQRES  22 A  432  THR ILE LYS VAL TRP ASN THR SER THR CYS GLU PHE VAL          
SEQRES  23 A  432  ARG THR LEU ASN GLY HIS LYS ARG GLY ILE ALA CYS LEU          
SEQRES  24 A  432  GLN TYR ARG ASP ARG LEU VAL VAL SER GLY SER SER ASP          
SEQRES  25 A  432  ASN THR ILE ARG LEU TRP ASP ILE GLU CYS GLY ALA CYS          
SEQRES  26 A  432  LEU ARG VAL LEU GLU GLY HIS GLU GLU LEU VAL ARG CYS          
SEQRES  27 A  432  ILE ARG PHE ASP ASN LYS ARG ILE VAL SER GLY ALA TYR          
SEQRES  28 A  432  ASP GLY LYS ILE LYS VAL TRP ASP LEU VAL ALA ALA LEU          
SEQRES  29 A  432  ASP PRO ARG ALA PRO ALA GLY THR LEU CYS LEU ARG THR          
SEQRES  30 A  432  LEU VAL GLU HIS SER GLY ARG VAL PHE ARG LEU GLN PHE          
SEQRES  31 A  432  ASP GLU PHE GLN ILE VAL SER SER SER HIS ASP ASP THR          
SEQRES  32 A  432  ILE LEU ILE TRP ASP PHE LEU ASN ASP PRO ALA ALA GLN          
SEQRES  33 A  432  ALA GLU PRO PRO ARG SER PRO SER ARG THR TYR THR TYR          
SEQRES  34 A  432  ILE SER ARG                                                  
SEQRES   1 B  144  PRO SER ILE LYS LEU GLN SER SER ASP GLY GLU ILE PHE          
SEQRES   2 B  144  GLU VAL ASP VAL GLU ILE ALA LYS GLN SER VAL THR ILE          
SEQRES   3 B  144  LYS THR MET LEU GLU ASP LEU GLY MET ASP PRO VAL PRO          
SEQRES   4 B  144  LEU PRO ASN VAL ASN ALA ALA ILE LEU LYS LYS VAL ILE          
SEQRES   5 B  144  GLN TRP CYS THR HIS HIS LYS ASP ASP PRO PRO ASP ASP          
SEQRES   6 B  144  ILE PRO VAL TRP ASP GLN GLU PHE LEU LYS VAL ASP GLN          
SEQRES   7 B  144  GLY THR LEU PHE GLU LEU ILE LEU ALA ALA ASN TYR LEU          
SEQRES   8 B  144  ASP ILE LYS GLY LEU LEU ASP VAL THR CYS LYS THR VAL          
SEQRES   9 B  144  ALA ASN MET ILE LYS GLY LYS THR PRO GLU GLU ILE ARG          
SEQRES  10 B  144  LYS THR PHE ASN ILE LYS ASN ASP PHE THR GLU GLU GLU          
SEQRES  11 B  144  GLU ALA GLN VAL ARG LYS GLU ASN GLN TRP CYS GLU GLU          
SEQRES  12 B  144  LYS                                                          
SEQRES   1 C   33  CYS ASP ARG LYS ALA ALA VAL SER HIS TRP GLN GLN GLN          
SEQRES   2 C   33  SER TYR LEU ASP SEP GLY ILE HIS SER GLY ALA THR THR          
SEQRES   3 C   33  THR ALA PRO SER LEU SER GLY                                  
MODRES 6M93 SEP C   33  SER  MODIFIED RESIDUE                                   
HET    SEP  C  33      10                                                       
HET    J8Y  A 601      25                                                       
HET    PO4  A 602       5                                                       
HETNAM     SEP PHOSPHOSERINE                                                    
HETNAM     J8Y 2-OXO-N-[3-(1H-TETRAZOL-5-YL)PHENYL]-6-                          
HETNAM   2 J8Y  (TRIFLUOROMETHYL)-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE             
HETNAM     PO4 PHOSPHATE ION                                                    
HETSYN     SEP PHOSPHONOSERINE                                                  
FORMUL   3  SEP    C3 H8 N O6 P                                                 
FORMUL   4  J8Y    C14 H9 F3 N6 O2                                              
FORMUL   5  PO4    O4 P 3-                                                      
FORMUL   6  HOH   *14(H2 O)                                                     
HELIX    1 AA1 ASP A  143  ARG A  151  1                                   9    
HELIX    2 AA2 LEU A  153  SER A  162  1                                  10    
HELIX    3 AA3 ASP A  165  LEU A  174  1                                  10    
HELIX    4 AA4 CYS A  176  GLY A  186  1                                  11    
HELIX    5 AA5 MET A  187  ASP A  200  1                                  14    
HELIX    6 AA6 ASP A  200  GLY A  211  1                                  12    
HELIX    7 AA7 TRP A  212  LEU A  216  5                                   5    
HELIX    8 AA8 PRO A  228  GLY A  253  1                                  26    
HELIX    9 AA9 LEU A  497  ASP A  502  1                                   6    
HELIX   10 AB1 PRO A  506  THR A  509  5                                   4    
HELIX   11 AB2 ASP B   17  LYS B   22  1                                   6    
HELIX   12 AB3 SER B   24  ASP B   33  1                                  10    
HELIX   13 AB4 ASN B   45  HIS B   59  1                                  15    
HELIX   14 AB5 VAL B   69  LEU B   75  1                                   7    
HELIX   15 AB6 ASP B   78  ASP B   93  1                                  16    
HELIX   16 AB7 ILE B   94  LYS B  110  1                                  17    
HELIX   17 AB8 THR B  113  ASN B  122  1                                  10    
HELIX   18 AB9 THR B  128  GLU B  138  1                                  11    
SHEET    1 AA1 4 SER A 256  HIS A 261  0                                        
SHEET    2 AA1 4 THR A 540  ASP A 545 -1  O  ASP A 545   N  SER A 256           
SHEET    3 AA1 4 GLN A 531  SER A 536 -1  N  ILE A 532   O  TRP A 544           
SHEET    4 AA1 4 VAL A 522  PHE A 527 -1  N  GLN A 526   O  VAL A 533           
SHEET    1 AA2 4 VAL A 270  TYR A 275  0                                        
SHEET    2 AA2 4 LYS A 279  LEU A 284 -1  O  VAL A 281   N  GLN A 274           
SHEET    3 AA2 4 ILE A 289  ASP A 293 -1  O  TRP A 292   N  ILE A 280           
SHEET    4 AA2 4 CYS A 299  LEU A 303 -1  O  LYS A 300   N  ILE A 291           
SHEET    1 AA3 4 VAL A 310  TYR A 315  0                                        
SHEET    2 AA3 4 VAL A 319  SER A 324 -1  O  ILE A 321   N  GLN A 314           
SHEET    3 AA3 4 THR A 328  ASP A 333 -1  O  TRP A 332   N  ILE A 320           
SHEET    4 AA3 4 MET A 339  ILE A 344 -1  O  LEU A 340   N  VAL A 331           
SHEET    1 AA4 4 VAL A 350  ASN A 356  0                                        
SHEET    2 AA4 4 MET A 359  SER A 364 -1  O  VAL A 361   N  ARG A 354           
SHEET    3 AA4 4 SER A 368  SER A 376 -1  O  TRP A 372   N  MET A 360           
SHEET    4 AA4 4 ASP A 379  VAL A 387 -1  O  LEU A 386   N  ILE A 369           
SHEET    1 AA5 4 VAL A 393  PHE A 398  0                                        
SHEET    2 AA5 4 TYR A 402  SER A 407 -1  O  VAL A 404   N  ASP A 397           
SHEET    3 AA5 4 ILE A 412  ASN A 416 -1  O  TRP A 415   N  ILE A 403           
SHEET    4 AA5 4 PHE A 422  LEU A 426 -1  O  LEU A 426   N  ILE A 412           
SHEET    1 AA6 4 ILE A 433  ARG A 439  0                                        
SHEET    2 AA6 4 LEU A 442  SER A 447 -1  O  VAL A 444   N  GLN A 437           
SHEET    3 AA6 4 ILE A 452  ASP A 456 -1  O  TRP A 455   N  VAL A 443           
SHEET    4 AA6 4 CYS A 462  LEU A 466 -1  O  LEU A 466   N  ILE A 452           
SHEET    1 AA7 4 VAL A 473  PHE A 478  0                                        
SHEET    2 AA7 4 ARG A 482  ALA A 487 -1  O  VAL A 484   N  ARG A 477           
SHEET    3 AA7 4 LYS A 491  ASP A 496 -1  O  TRP A 495   N  ILE A 483           
SHEET    4 AA7 4 CYS A 511  VAL A 516 -1  O  LEU A 515   N  ILE A 492           
SHEET    1 AA8 3 ILE B  13  VAL B  16  0                                        
SHEET    2 AA8 3 ILE B   4  SER B   8 -1  N  ILE B   4   O  VAL B  16           
SHEET    3 AA8 3 VAL B  39  LEU B  41  1  O  LEU B  41   N  GLN B   7           
LINK         C   ASP C  32                 N   SEP C  33     1555   1555  1.33  
LINK         C   SEP C  33                 N   GLY C  34     1555   1555  1.33  
CISPEP   1 ASP B   37    PRO B   38          0        -6.17                     
SITE     1 AC1 14 ARG A 330  LEU A 340  ASN A 341  THR A 342                    
SITE     2 AC1 14 ASN A 394  GLY A 408  ARG A 431  GLY A 432                    
SITE     3 AC1 14 ILE A 433  ALA A 434  SER A 448  ILE C  35                    
SITE     4 AC1 14 HIS C  36  SER C  37                                          
SITE     1 AC2  5 ARG A 477  PHE A 478  GLN A 526  PHE A 527                    
SITE     2 AC2  5 HOH A 707                                                     
CRYST1   82.530   82.530  111.260  90.00  90.00 120.00 P 31          3          
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      0.012117  0.006996  0.000000        0.00000                         
SCALE2      0.000000  0.013991  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.008988        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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