GenomeNet

Database: PDB
Entry: 6M90
LinkDB: 6M90
Original site: 6M90 
HEADER    LIGASE                                  22-AUG-18   6M90              
TITLE     MONOPHOSPHORYLATED PSER33 B-CATENIN PEPTIDE, B-TRCP/SKP1, NRX-2776    
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: SKP1;                                                      
COMPND   9 CHAIN: B;                                                            
COMPND  10 ENGINEERED: YES;                                                     
COMPND  11 MOL_ID: 3;                                                           
COMPND  12 MOLECULE: CATENIN BETA-1;                                            
COMPND  13 CHAIN: C;                                                            
COMPND  14 SYNONYM: BETA-CATENIN;                                               
COMPND  15 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_TAXID: 9606;                                                
SOURCE  11 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  12 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  13 MOL_ID: 3;                                                           
SOURCE  14 SYNTHETIC: YES;                                                      
SOURCE  15 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  16 ORGANISM_COMMON: HUMAN;                                              
SOURCE  17 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,J.J.CARTER           
REVDAT   2   10-APR-19 6M90    1       JRNL                                     
REVDAT   1   03-APR-19 6M90    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.    2.05 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) : 2.05                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 27.70                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.980                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.2                           
REMARK   3   NUMBER OF REFLECTIONS             : 53265                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.180                           
REMARK   3   R VALUE            (WORKING SET) : 0.178                           
REMARK   3   FREE R VALUE                     : 0.212                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 3.770                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2010                            
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 27.6971 -  4.9325    0.95     3498   137  0.1629 0.1851        
REMARK   3     2  4.9325 -  3.9186    1.00     3701   144  0.1379 0.1656        
REMARK   3     3  3.9186 -  3.4243    1.00     3701   132  0.1713 0.2017        
REMARK   3     4  3.4243 -  3.1117    1.00     3693   142  0.1933 0.2446        
REMARK   3     5  3.1117 -  2.8889    1.00     3681   142  0.2050 0.2311        
REMARK   3     6  2.8889 -  2.7187    1.00     3696   146  0.1984 0.2528        
REMARK   3     7  2.7187 -  2.5827    1.00     3659   144  0.2002 0.2415        
REMARK   3     8  2.5827 -  2.4703    1.00     3682   154  0.1995 0.2536        
REMARK   3     9  2.4703 -  2.3753    1.00     3675   146  0.2089 0.2573        
REMARK   3    10  2.3753 -  2.2934    0.99     3660   146  0.2122 0.2346        
REMARK   3    11  2.2934 -  2.2217    0.99     3692   146  0.2284 0.2833        
REMARK   3    12  2.2217 -  2.1582    0.99     3649   140  0.2490 0.2836        
REMARK   3    13  2.1582 -  2.1014    0.99     3648   150  0.2703 0.2940        
REMARK   3    14  2.1014 -  2.0501    0.99     3620   141  0.2986 0.3418        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : NULL                                          
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.260            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 22.320           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 51.39                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 66.86                          
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  : 20                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 122 THROUGH 139 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -21.3833  69.4606   8.0972              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7600 T22:   0.4756                                     
REMARK   3      T33:   0.8498 T12:   0.2354                                     
REMARK   3      T13:   0.0507 T23:   0.0589                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2856 L22:   0.4819                                     
REMARK   3      L33:   0.6700 L12:   0.1944                                     
REMARK   3      L13:   0.1556 L23:  -0.4093                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3094 S12:   0.3296 S13:   0.6804                       
REMARK   3      S21:  -0.3632 S22:  -0.2075 S23:  -0.5615                       
REMARK   3      S31:   0.0928 S32:  -0.0406 S33:   0.0031                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 31 THROUGH 40 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   2.3350   5.8318  -6.7921              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6680 T22:   0.7091                                     
REMARK   3      T33:   0.5798 T12:   0.1774                                     
REMARK   3      T13:   0.0488 T23:  -0.0009                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1036 L22:   0.1865                                     
REMARK   3      L33:   0.1901 L12:  -0.1938                                     
REMARK   3      L13:  -0.0527 L23:   0.1251                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0625 S12:   0.3859 S13:  -0.7271                       
REMARK   3      S21:  -0.3346 S22:   0.4042 S23:  -0.0990                       
REMARK   3      S31:   0.4040 S32:   0.1270 S33:   0.0118                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 138 THROUGH 163 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -36.9504  56.9660   8.5273              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8808 T22:   0.5219                                     
REMARK   3      T33:   0.5114 T12:   0.2610                                     
REMARK   3      T13:  -0.0556 T23:  -0.0920                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2120 L22:   0.7508                                     
REMARK   3      L33:   0.4075 L12:   0.7330                                     
REMARK   3      L13:  -0.6825 L23:  -0.2865                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2659 S12:   0.1111 S13:  -0.3326                       
REMARK   3      S21:  -0.1117 S22:  -0.2052 S23:   0.1252                       
REMARK   3      S31:   0.2847 S32:   0.1517 S33:   0.0000                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 164 THROUGH 199 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -23.3050  54.4374   9.8502              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7688 T22:   0.4959                                     
REMARK   3      T33:   0.6072 T12:   0.2636                                     
REMARK   3      T13:   0.0661 T23:  -0.0808                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8704 L22:   1.1191                                     
REMARK   3      L33:  -0.0658 L12:   0.2729                                     
REMARK   3      L13:   0.0844 L23:   0.2002                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0170 S12:   0.3249 S13:   0.0285                       
REMARK   3      S21:   0.0864 S22:  -0.1840 S23:  -0.4968                       
REMARK   3      S31:   0.0166 S32:  -0.1938 S33:  -0.0001                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 200 THROUGH 210 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -10.1639  39.3078  10.2934              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9194 T22:   0.5525                                     
REMARK   3      T33:   1.1011 T12:   0.3389                                     
REMARK   3      T13:   0.0012 T23:  -0.0565                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1173 L22:   0.1432                                     
REMARK   3      L33:   3.2976 L12:  -0.0828                                     
REMARK   3      L13:   0.4742 L23:  -0.6178                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.7587 S12:   0.0658 S13:  -1.3634                       
REMARK   3      S21:   0.2005 S22:  -0.2871 S23:   0.4815                       
REMARK   3      S31:  -0.0288 S32:  -0.0452 S33:  -0.1079                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 211 THROUGH 217 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -13.9076  43.6443  18.9031              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0260 T22:   0.7745                                     
REMARK   3      T33:   0.8553 T12:   0.3965                                     
REMARK   3      T13:  -0.0551 T23:   0.1035                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0509 L22:   0.0633                                     
REMARK   3      L33:   0.0158 L12:  -0.0557                                     
REMARK   3      L13:   0.0188 L23:  -0.0246                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3280 S12:  -1.2017 S13:  -0.0807                       
REMARK   3      S21:   0.4854 S22:   0.3832 S23:  -0.7197                       
REMARK   3      S31:   0.8540 S32:   0.6341 S33:  -0.0043                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 227 THROUGH 252 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -8.0095  48.0505   7.4979              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7531 T22:   0.4928                                     
REMARK   3      T33:   0.9998 T12:   0.2145                                     
REMARK   3      T13:  -0.0426 T23:   0.0027                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2481 L22:   0.2957                                     
REMARK   3      L33:   0.4296 L12:   0.1791                                     
REMARK   3      L13:   0.5453 L23:  -0.0228                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0598 S12:   0.0380 S13:   0.6177                       
REMARK   3      S21:  -0.0661 S22:   0.0582 S23:  -1.0145                       
REMARK   3      S31:  -0.3453 S32:  -0.0373 S33:  -0.0782                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 253 THROUGH 293 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   4.1645  18.8531  10.5282              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6291 T22:   0.5568                                     
REMARK   3      T33:   0.6105 T12:   0.2167                                     
REMARK   3      T13:  -0.0918 T23:  -0.0905                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9565 L22:   1.6854                                     
REMARK   3      L33:   0.7753 L12:   0.9131                                     
REMARK   3      L13:  -0.3097 L23:  -0.9357                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1456 S12:  -0.2094 S13:   0.4423                       
REMARK   3      S21:   0.8614 S22:   0.2066 S23:  -0.4954                       
REMARK   3      S31:  -0.0424 S32:   0.1871 S33:  -0.0143                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 294 THROUGH 315 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.2285  14.3506  13.7431              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6758 T22:   0.5183                                     
REMARK   3      T33:   0.4675 T12:   0.2501                                     
REMARK   3      T13:  -0.0360 T23:  -0.0640                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1305 L22:   0.5872                                     
REMARK   3      L33:   0.6076 L12:  -0.1139                                     
REMARK   3      L13:  -0.6223 L23:  -0.3193                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0044 S12:  -0.2728 S13:   0.1197                       
REMARK   3      S21:   0.6056 S22:   0.1382 S23:   0.0036                       
REMARK   3      S31:   0.0233 S32:  -0.2737 S33:   0.1015                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 316 THROUGH 333 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -8.0867   8.1425  11.5305              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7825 T22:   0.6332                                     
REMARK   3      T33:   0.4955 T12:   0.2270                                     
REMARK   3      T13:   0.0963 T23:  -0.0008                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9179 L22:   0.5823                                     
REMARK   3      L33:   0.7629 L12:   0.4592                                     
REMARK   3      L13:  -0.0526 L23:  -0.6289                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2585 S12:  -0.1394 S13:   0.4093                       
REMARK   3      S21:   0.4085 S22:  -0.1407 S23:  -0.0744                       
REMARK   3      S31:  -0.2274 S32:  -0.3692 S33:  -0.0015                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 334 THROUGH 356 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -9.6889   6.2584   8.5835              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6586 T22:   0.5251                                     
REMARK   3      T33:   0.4516 T12:   0.1877                                     
REMARK   3      T13:   0.0437 T23:   0.0276                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3545 L22:   1.2025                                     
REMARK   3      L33:   0.2621 L12:   0.4655                                     
REMARK   3      L13:  -0.1209 L23:  -0.5190                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0178 S12:   0.0287 S13:   0.0211                       
REMARK   3      S21:   0.4301 S22:   0.1655 S23:   0.2237                       
REMARK   3      S31:  -0.0729 S32:  -0.2140 S33:  -0.0001                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 357 THROUGH 374 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -14.4985   5.5043   0.6701              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6556 T22:   0.6683                                     
REMARK   3      T33:   0.5964 T12:   0.1284                                     
REMARK   3      T13:   0.0568 T23:   0.0866                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0143 L22:   1.1324                                     
REMARK   3      L33:   0.6687 L12:   0.8627                                     
REMARK   3      L13:  -0.0377 L23:  -0.6242                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1240 S12:  -0.0994 S13:  -0.2403                       
REMARK   3      S21:  -0.1717 S22:   0.0711 S23:   0.5798                       
REMARK   3      S31:   0.0854 S32:  -0.5364 S33:   0.0007                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 375 THROUGH 416 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -15.6989   8.5876  -4.5906              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5127 T22:   0.6110                                     
REMARK   3      T33:   0.5461 T12:   0.1398                                     
REMARK   3      T13:   0.0089 T23:   0.0780                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5960 L22:   1.5474                                     
REMARK   3      L33:   1.1035 L12:  -0.2470                                     
REMARK   3      L13:   0.4678 L23:  -0.4440                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0087 S12:   0.2199 S13:   0.0043                       
REMARK   3      S21:  -0.0341 S22:   0.1076 S23:   0.4555                       
REMARK   3      S31:   0.1727 S32:  -0.4905 S33:   0.0001                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 417 THROUGH 439 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -13.9725  14.0415 -11.0169              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4937 T22:   0.6447                                     
REMARK   3      T33:   0.5502 T12:   0.1814                                     
REMARK   3      T13:   0.0086 T23:   0.0535                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4143 L22:   1.4763                                     
REMARK   3      L33:   1.5273 L12:   0.0657                                     
REMARK   3      L13:   0.8280 L23:  -0.0686                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0819 S12:   0.3233 S13:   0.3477                       
REMARK   3      S21:  -0.0213 S22:  -0.0144 S23:   0.1553                       
REMARK   3      S31:  -0.0821 S32:  -0.3452 S33:   0.0001                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 440 THROUGH 516 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.4529  26.3126 -10.8355              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5459 T22:   0.5383                                     
REMARK   3      T33:   0.6561 T12:   0.1780                                     
REMARK   3      T13:   0.0475 T23:   0.1366                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2060 L22:   2.4551                                     
REMARK   3      L33:   2.4763 L12:   0.9778                                     
REMARK   3      L13:   0.2660 L23:   0.4885                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0965 S12:   0.3911 S13:   0.5712                       
REMARK   3      S21:  -0.3247 S22:   0.0782 S23:   0.0214                       
REMARK   3      S31:  -0.4926 S32:  -0.0321 S33:   0.1706                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 517 THROUGH 548 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   3.2128  25.7968   3.7750              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5771 T22:   0.4841                                     
REMARK   3      T33:   0.7386 T12:   0.1709                                     
REMARK   3      T13:   0.0071 T23:  -0.0376                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7337 L22:   1.2303                                     
REMARK   3      L33:   1.4858 L12:   0.7165                                     
REMARK   3      L13:   0.8223 L23:   0.0664                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1029 S12:  -0.1378 S13:   0.4560                       
REMARK   3      S21:   0.3208 S22:   0.0293 S23:  -0.2861                       
REMARK   3      S31:  -0.1738 S32:   0.3749 S33:   0.0000                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 2 THROUGH 58 )                    
REMARK   3    ORIGIN FOR THE GROUP (A): -55.8219  42.7392   7.4935              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.2010 T22:   0.6053                                     
REMARK   3      T33:   0.7521 T12:  -0.1355                                     
REMARK   3      T13:  -0.1876 T23:  -0.2778                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6619 L22:   0.4703                                     
REMARK   3      L33:   0.7133 L12:   0.4880                                     
REMARK   3      L13:  -1.2571 L23:  -0.0368                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1112 S12:   0.6240 S13:  -0.5979                       
REMARK   3      S21:  -0.4191 S22:  -0.0750 S23:   0.5098                       
REMARK   3      S31:   0.9327 S32:  -0.5743 S33:  -0.0119                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 59 THROUGH 68 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -39.4297  39.4907  -2.6786              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.5423 T22:   0.8977                                     
REMARK   3      T33:   1.0789 T12:   0.0427                                     
REMARK   3      T13:   0.0398 T23:  -0.3888                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2020 L22:   0.2199                                     
REMARK   3      L33:   0.1625 L12:   0.1002                                     
REMARK   3      L13:   0.0437 L23:  -0.1363                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3569 S12:   0.5490 S13:  -0.5125                       
REMARK   3      S21:  -0.3715 S22:  -0.1938 S23:  -0.2827                       
REMARK   3      S31:   0.3965 S32:   0.5561 S33:  -0.0067                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 69 THROUGH 109 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -41.6853  49.9045   1.5561              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0603 T22:   0.5644                                     
REMARK   3      T33:   0.5221 T12:   0.1552                                     
REMARK   3      T13:  -0.0993 T23:  -0.1734                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5695 L22:   1.3157                                     
REMARK   3      L33:   0.7537 L12:   1.5753                                     
REMARK   3      L13:   0.3133 L23:   0.2431                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0527 S12:   0.5878 S13:  -0.3270                       
REMARK   3      S21:  -0.3723 S22:  -0.0933 S23:   0.1817                       
REMARK   3      S31:   0.5431 S32:  -0.1590 S33:   0.0128                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 110 THROUGH 121 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -28.2730  63.6255  -2.0495              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9457 T22:   0.6404                                     
REMARK   3      T33:   0.4859 T12:   0.2597                                     
REMARK   3      T13:   0.1543 T23:  -0.0544                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5920 L22:   0.7322                                     
REMARK   3      L33:   0.2834 L12:  -0.3780                                     
REMARK   3      L13:   1.0133 L23:  -0.0865                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3772 S12:   1.0107 S13:   1.1427                       
REMARK   3      S21:  -0.8674 S22:   0.2363 S23:  -0.6517                       
REMARK   3      S31:  -0.6285 S32:   0.1200 S33:  -0.1727                       
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 6M90 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_1000236363.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 16-NOV-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               : APS                                
REMARK 200  BEAMLINE                       : 22-BM                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1                                  
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : RAYONIX MX300-HS                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : XSCALE                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 53275                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.050                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 27.695                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.2                               
REMARK 200  DATA REDUNDANCY                : 4.849                              
REMARK 200  R MERGE                    (I) : 0.04300                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 18.3300                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.05                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.10                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.8                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.80                               
REMARK 200  R MERGE FOR SHELL          (I) : 1.43400                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.090                              
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: 1P22                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 62.77                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.30                     
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       37.27333            
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       74.54667            
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: 4220 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 24000 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -41.0 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     LYS A   218                                                      
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     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     ASP B    61                                                      
REMARK 465     ASP B    62                                                      
REMARK 465     PRO B    63                                                      
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     TYR C    30                                                      
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     GLU A 208    CG   CD   OE1  OE2                                  
REMARK 470     ARG A 254    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU A 265    CG   CD   OE1  OE2                                  
REMARK 470     ARG A 301    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG A 318    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASN A 357    CG   OD1  ND2                                       
REMARK 470     LYS A 430    CG   CD   CE   NZ                                   
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     PRO B   2    CG   CD                                             
REMARK 470     ILE B   4    CG1  CG2  CD1                                       
REMARK 470     LYS B   5    CG   CD   CE   NZ                                   
REMARK 470     GLU B  15    CG   CD   OE1  OE2                                  
REMARK 470     VAL B  18    CG1  CG2                                            
REMARK 470     GLU B  19    CG   CD   OE1  OE2                                  
REMARK 470     ILE B  20    CG1  CG2  CD1                                       
REMARK 470     LYS B  50    CG   CD   CE   NZ                                   
REMARK 470     LYS B  60    CG   CD   CE   NZ                                   
REMARK 470     ASP B  65    CG   OD1  OD2                                       
REMARK 470     ASP B  66    CG   OD1  OD2                                       
REMARK 470     GLU B  73    CG   CD   OE1  OE2                                  
REMARK 470     LYS B  76    CG   CD   CE   NZ                                   
REMARK 470     LYS B 103    CG   CD   CE   NZ                                   
REMARK 470     LYS B 110    CG   CD   CE   NZ                                   
REMARK 470     GLU B 130    CG   CD   OE1  OE2                                  
REMARK 470     LEU C  31    CG   CD1  CD2                                       
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   OD2  ASP A   400     O    HOH A   701              2.07            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    LEU A 153       51.00   -116.08                                   
REMARK 500    THR A 266      -79.12   -117.58                                   
REMARK 500    ASN A 287        4.96     82.51                                   
REMARK 500    ASP A 316     -154.81   -123.87                                   
REMARK 500    HIS A 345      -55.31   -161.82                                   
REMARK 500    ASN A 356      135.81   -175.14                                   
REMARK 500    ASP A 440     -112.24     60.48                                   
REMARK 500    ASP A 479     -149.23   -123.65                                   
REMARK 500    ASP A 528     -158.33   -147.39                                   
REMARK 500    ASP A 538        4.66    -69.86                                   
REMARK 500    ASP B  66     -135.02     58.63                                   
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 J91 A 601                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue J91 A 602                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue PO4 A 603                 
DBREF  6M90 A  139   569  UNP    Q9Y297   FBW1A_HUMAN    175    605             
DBREF  6M90 B    2   145  UNP    P63208   SKP1_HUMAN       2    163             
DBREF  6M90 C   17    48  UNP    P35222   CTNB1_HUMAN     17     48             
SEQADV 6M90 SER A  138  UNP  Q9Y297              EXPRESSION TAG                 
SEQADV 6M90     B       UNP  P63208    ASP    37 DELETION                       
SEQADV 6M90     B       UNP  P63208    ASP    38 DELETION                       
SEQADV 6M90     B       UNP  P63208    GLU    39 DELETION                       
SEQADV 6M90     B       UNP  P63208    GLY    40 DELETION                       
SEQADV 6M90     B       UNP  P63208    ASP    41 DELETION                       
SEQADV 6M90     B       UNP  P63208    ASP    42 DELETION                       
SEQADV 6M90     B       UNP  P63208    PRO    71 DELETION                       
SEQADV 6M90     B       UNP  P63208    PRO    72 DELETION                       
SEQADV 6M90     B       UNP  P63208    GLU    73 DELETION                       
SEQADV 6M90     B       UNP  P63208    ASP    74 DELETION                       
SEQADV 6M90     B       UNP  P63208    ASP    75 DELETION                       
SEQADV 6M90     B       UNP  P63208    GLU    76 DELETION                       
SEQADV 6M90     B       UNP  P63208    ASN    77 DELETION                       
SEQADV 6M90     B       UNP  P63208    LYS    78 DELETION                       
SEQADV 6M90     B       UNP  P63208    GLU    79 DELETION                       
SEQADV 6M90     B       UNP  P63208    LYS    80 DELETION                       
SEQADV 6M90     B       UNP  P63208    ARG    81 DELETION                       
SEQADV 6M90     B       UNP  P63208    THR    82 DELETION                       
SEQADV 6M90 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 6M90 SEP C   33  SER  MODIFIED RESIDUE                                   
HET    SEP  C  33      10                                                       
HET    J91  A 601      31                                                       
HET    J91  A 602      31                                                       
HET    PO4  A 603       5                                                       
HETNAM     SEP PHOSPHOSERINE                                                    
HETNAM     J91 2-(2-FLUOROPHENOXY)-3-{[2-OXO-6-(TRIFLUOROMETHYL)-1,2-           
HETNAM   2 J91  DIHYDROPYRIDINE-3-CARBONYL]AMINO}BENZOIC ACID                   
HETNAM     PO4 PHOSPHATE ION                                                    
HETSYN     SEP PHOSPHONOSERINE                                                  
FORMUL   3  SEP    C3 H8 N O6 P                                                 
FORMUL   4  J91    2(C20 H12 F4 N2 O5)                                          
FORMUL   6  PO4    O4 P 3-                                                      
FORMUL   7  HOH   *74(H2 O)                                                     
HELIX    1 AA1 ASP A  143  ARG A  151  1                                   9    
HELIX    2 AA2 LEU A  153  TYR A  163  1                                  11    
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  LEU A  501  1                                   5    
HELIX   10 AB1 PRO A  506  THR A  509  5                                   4    
HELIX   11 AB2 VAL B   18  LYS B   22  1                                   5    
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 PRO B   68  LEU B   75  1                                   8    
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  ILE A 541   N  ILE A 260           
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  LEU A 303   N  ILE A 289           
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 343   N  VAL A 329           
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 ILE A 369  SER A 376 -1  O  TRP A 372   N  MET A 360           
SHEET    4 AA4 4 ASP A 379  LEU A 386 -1  O  ARG A 383   N  VAL A 371           
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  LYS A 413   N  SER A 405           
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  GLY A 486   N  CYS A 475           
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  ASP B  17  0                                        
SHEET    2 AA8 3 SER B   3  GLN B   7 -1  N  ILE B   4   O  VAL B  16           
SHEET    3 AA8 3 VAL B  39  PRO B  40  1  O  VAL B  39   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        -2.12                     
SITE     1 AC1 15 MET A 339  THR A 342  ASN A 394  GLY A 408                    
SITE     2 AC1 15 ARG A 410  ARG A 431  GLY A 432  ILE A 433                    
SITE     3 AC1 15 ALA A 434  SER A 448  HOH A 705  ILE C  35                    
SITE     4 AC1 15 HIS C  36  SER C  37  GLY C  38                               
SITE     1 AC2 13 ARG A 142  ASP A 143  THR A 146  ALA A 150                    
SITE     2 AC2 13 ARG A 151  THR A 307  ASP A 409  ARG A 410                    
SITE     3 AC2 13 HIS A 429  HOH A 708  HOH A 710  HOH A 732                    
SITE     4 AC2 13 HOH A 742                                                     
SITE     1 AC3  5 GLN A 437  ARG A 477  PHE A 478  GLN A 526                    
SITE     2 AC3  5 PHE A 527                                                     
CRYST1   82.760   82.760  111.820  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      0.012083  0.006976  0.000000        0.00000                         
SCALE2      0.000000  0.013952  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.008943        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system