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Database: PDB
Entry: 5UQ3
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HEADER    TRANSFERASE/TRANSFERASE INHIBITOR       06-FEB-17   5UQ3              
TITLE     CRYSTAL STRUCTURE OF HUMAN CDK2-SPY1-P27 TERNARY COMPLEX              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CYCLIN-DEPENDENT KINASE 2;                                 
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: CELL DIVISION PROTEIN KINASE 2,P33 PROTEIN KINASE;          
COMPND   5 EC: 2.7.11.22;                                                       
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: SPEEDY PROTEIN A;                                          
COMPND   9 CHAIN: B;                                                            
COMPND  10 FRAGMENT: UNP RESIDUES 61-213;                                       
COMPND  11 SYNONYM: RAPID INDUCER OF G2/M PROGRESSION IN OOCYTES A,HSPY/RINGO A,
COMPND  12 SPEEDY-1,SPY1;                                                       
COMPND  13 ENGINEERED: YES;                                                     
COMPND  14 MOL_ID: 3;                                                           
COMPND  15 MOLECULE: CYCLIN-DEPENDENT KINASE INHIBITOR 1B;                      
COMPND  16 CHAIN: C;                                                            
COMPND  17 SYNONYM: CYCLIN-DEPENDENT KINASE INHIBITOR P27,P27KIP1;              
COMPND  18 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: CDK2, CDKN2;                                                   
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: SPDYA, SPDY1, SPY1;                                            
SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  15 MOL_ID: 3;                                                           
SOURCE  16 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  17 ORGANISM_COMMON: HUMAN;                                              
SOURCE  18 ORGANISM_TAXID: 9606;                                                
SOURCE  19 GENE: CDKN1B, KIP1;                                                  
SOURCE  20 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  21 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    PHOSPHOTRANSFERASE, PROTEIN KINASE, CELL CYCLE REGULATION,            
KEYWDS   2 TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX                            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    D.A.MCGRATH,S.M.TRIPATHI,S.M.RUBIN                                    
REVDAT   3   09-AUG-17 5UQ3    1       JRNL                                     
REVDAT   2   19-JUL-17 5UQ3    1       JRNL                                     
REVDAT   1   05-JUL-17 5UQ3    0                                                
JRNL        AUTH   D.A.MCGRATH,B.A.FIFIELD,A.H.MARCEAU,S.TRIPATHI,L.A.PORTER,   
JRNL        AUTH 2 S.M.RUBIN                                                    
JRNL        TITL   STRUCTURAL BASIS OF DIVERGENT CYCLIN-DEPENDENT KINASE        
JRNL        TITL 2 ACTIVATION BY SPY1/RINGO PROTEINS.                           
JRNL        REF    EMBO J.                       V.  36  2251 2017              
JRNL        REFN                   ESSN 1460-2075                               
JRNL        PMID   28666995                                                     
JRNL        DOI    10.15252/EMBJ.201796905                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    3.60 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.9_1692                                      
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) : 3.60                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 53.98                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.340                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 9448                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.251                           
REMARK   3   R VALUE            (WORKING SET) : 0.243                           
REMARK   3   FREE R VALUE                     : 0.324                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.090                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 953                             
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 53.9811 -  6.8828    1.00     1278   146  0.1910 0.2724        
REMARK   3     2  6.8828 -  5.4648    1.00     1223   139  0.2795 0.3318        
REMARK   3     3  5.4648 -  4.7745    1.00     1212   135  0.2472 0.3124        
REMARK   3     4  4.7745 -  4.3381    1.00     1202   138  0.2261 0.3183        
REMARK   3     5  4.3381 -  4.0273    1.00     1176   129  0.2657 0.4108        
REMARK   3     6  4.0273 -  3.7899    0.99     1218   131  0.2999 0.3517        
REMARK   3     7  3.7899 -  3.6002    1.00     1186   135  0.3308 0.4274        
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)     : 0.630            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 37.020           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.004           3783                                  
REMARK   3   ANGLE     :  1.022           5132                                  
REMARK   3   CHIRALITY :  0.041            557                                  
REMARK   3   PLANARITY :  0.007            654                                  
REMARK   3   DIHEDRAL  : 15.530           1388                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 22                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 19 THROUGH 45 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  31.1268  34.2020  15.5265              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1307 T22:  -1.1432                                     
REMARK   3      T33:   1.1199 T12:   0.8839                                     
REMARK   3      T13:  -0.3814 T23:   0.8494                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0815 L22:   0.2419                                     
REMARK   3      L33:   0.7096 L12:   0.2520                                     
REMARK   3      L13:   0.2998 L23:  -0.7971                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1526 S12:  -0.1603 S13:   1.3778                       
REMARK   3      S21:  -1.2932 S22:   0.2259 S23:   0.2215                       
REMARK   3      S31:  -0.7727 S32:   1.6844 S33:   0.0844                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 46 THROUGH 65 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  40.7481  23.8188  11.3182              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7208 T22:   0.4531                                     
REMARK   3      T33:   0.6753 T12:   0.0145                                     
REMARK   3      T13:   0.1642 T23:   0.0837                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5250 L22:   0.1525                                     
REMARK   3      L33:   0.0584 L12:   0.1781                                     
REMARK   3      L13:  -0.1870 L23:  -0.0732                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4376 S12:   0.1365 S13:  -0.5511                       
REMARK   3      S21:  -0.3793 S22:   0.2398 S23:   0.5490                       
REMARK   3      S31:  -0.3106 S32:  -0.8362 S33:  -0.1867                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 66 THROUGH 85 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  33.6950  32.1931  16.9392              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1942 T22:   0.4017                                     
REMARK   3      T33:   0.6321 T12:   0.1364                                     
REMARK   3      T13:   0.0784 T23:   0.0689                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0084 L22:   0.0321                                     
REMARK   3      L33:  -0.0273 L12:   0.2401                                     
REMARK   3      L13:   0.0331 L23:   0.0858                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2279 S12:   0.0868 S13:  -0.0056                       
REMARK   3      S21:  -0.3790 S22:   0.0234 S23:  -0.8229                       
REMARK   3      S31:  -0.3955 S32:  -0.5471 S33:   0.0274                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 86 THROUGH 100 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  17.7987  18.8778  -0.7720              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6388 T22:   0.7218                                     
REMARK   3      T33:   0.9641 T12:   0.1433                                     
REMARK   3      T13:  -0.0343 T23:   0.0595                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0359 L22:  -0.0088                                     
REMARK   3      L33:   0.0744 L12:   0.0071                                     
REMARK   3      L13:  -0.0508 L23:   0.0552                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.6939 S12:  -0.5127 S13:  -0.1878                       
REMARK   3      S21:  -0.0384 S22:  -0.0627 S23:  -0.1609                       
REMARK   3      S31:  -0.0837 S32:  -0.4818 S33:   0.0087                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 101 THROUGH 148 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  34.0223  18.9729   2.1043              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6575 T22:   0.6963                                     
REMARK   3      T33:   0.4667 T12:   0.0313                                     
REMARK   3      T13:   0.0265 T23:   0.1716                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2357 L22:   0.1739                                     
REMARK   3      L33:   0.4557 L12:   0.0041                                     
REMARK   3      L13:  -0.3237 L23:  -0.2336                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1637 S12:   0.3916 S13:   0.4866                       
REMARK   3      S21:  -1.0423 S22:  -0.1986 S23:   0.7156                       
REMARK   3      S31:   0.3714 S32:   0.3640 S33:   0.0027                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 149 THROUGH 168 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  39.5368   8.3132  14.0692              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0517 T22:   0.8712                                     
REMARK   3      T33:   0.3627 T12:   0.1892                                     
REMARK   3      T13:   0.2870 T23:   0.1972                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0276 L22:   0.2672                                     
REMARK   3      L33:   0.0013 L12:   0.1579                                     
REMARK   3      L13:   0.3202 L23:   0.0007                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5312 S12:  -0.3567 S13:  -1.3667                       
REMARK   3      S21:   1.2873 S22:   1.5507 S23:  -1.2915                       
REMARK   3      S31:   1.0638 S32:   0.9004 S33:   0.0215                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 169 THROUGH 181 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  37.5807   0.8239  11.0600              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0045 T22:   0.7673                                     
REMARK   3      T33:   0.8636 T12:   0.2059                                     
REMARK   3      T13:  -0.0146 T23:   0.1975                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0032 L22:  -0.0172                                     
REMARK   3      L33:   0.0418 L12:   0.0138                                     
REMARK   3      L13:   0.0374 L23:  -0.0408                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2170 S12:   0.5567 S13:   0.0009                       
REMARK   3      S21:  -0.0871 S22:  -0.3091 S23:   0.3348                       
REMARK   3      S31:   0.6204 S32:  -0.6971 S33:   0.0012                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 182 THROUGH 229 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  27.7776   0.9105   3.4754              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.5140 T22:  -1.8679                                     
REMARK   3      T33:   0.6535 T12:   0.5956                                     
REMARK   3      T13:   0.2591 T23:   0.3249                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4211 L22:   0.5921                                     
REMARK   3      L33:   0.0583 L12:  -0.0772                                     
REMARK   3      L13:   0.0330 L23:   0.0459                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.2660 S12:  -0.5104 S13:  -0.0872                       
REMARK   3      S21:   0.6984 S22:   1.0946 S23:   0.7669                       
REMARK   3      S31:   1.8985 S32:  -0.1239 S33:  -0.0439                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 230 THROUGH 247 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  30.4162 -10.7818   6.4113              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.1716 T22:   1.3940                                     
REMARK   3      T33:   0.8588 T12:   0.1502                                     
REMARK   3      T13:  -0.1890 T23:  -0.0581                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0858 L22:   0.0590                                     
REMARK   3      L33:   0.0679 L12:  -0.1605                                     
REMARK   3      L13:  -0.1422 L23:   0.2147                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1560 S12:   0.0365 S13:  -0.1108                       
REMARK   3      S21:  -0.2752 S22:  -0.0402 S23:   0.4847                       
REMARK   3      S31:   0.4348 S32:   0.4128 S33:  -0.0002                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 248 THROUGH 292 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  32.7006   7.0927  -8.4722              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7454 T22:   0.6676                                     
REMARK   3      T33:   0.4753 T12:   0.2145                                     
REMARK   3      T13:   0.0805 T23:   0.0291                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4952 L22:   0.2636                                     
REMARK   3      L33:   0.0267 L12:   0.1549                                     
REMARK   3      L13:  -0.0164 L23:   0.1541                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5591 S12:   1.3651 S13:  -0.3627                       
REMARK   3      S21:  -0.8794 S22:  -0.5255 S23:   0.7765                       
REMARK   3      S31:   0.7494 S32:   0.7860 S33:   0.6589                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 67 THROUGH 80 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  67.2404  22.2723  25.9010              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.4266 T22:   1.0391                                     
REMARK   3      T33:   0.6808 T12:  -0.8997                                     
REMARK   3      T13:  -0.5062 T23:  -0.1686                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2065 L22:   0.0788                                     
REMARK   3      L33:   0.0822 L12:  -0.1696                                     
REMARK   3      L13:   0.0573 L23:   0.1062                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1369 S12:   0.0721 S13:   0.8110                       
REMARK   3      S21:   0.7516 S22:  -0.2438 S23:  -1.2118                       
REMARK   3      S31:  -0.7995 S32:   0.7798 S33:  -0.0406                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 81 THROUGH 89 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  59.7963  10.9365  36.3969              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8897 T22:   0.6841                                     
REMARK   3      T33:   1.2205 T12:  -0.4692                                     
REMARK   3      T13:   0.0901 T23:  -0.5861                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1123 L22:   0.0985                                     
REMARK   3      L33:   0.1338 L12:   0.0329                                     
REMARK   3      L13:   0.0740 L23:   0.1224                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1191 S12:   0.3682 S13:   0.2050                       
REMARK   3      S21:   0.4727 S22:  -0.0838 S23:  -0.2222                       
REMARK   3      S31:   0.1384 S32:  -0.3820 S33:   0.0205                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 90 THROUGH 147 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  53.4864  17.4018  27.4358              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6392 T22:   0.1397                                     
REMARK   3      T33:   0.5206 T12:  -0.0777                                     
REMARK   3      T13:  -0.1269 T23:  -0.0834                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6053 L22:   0.2052                                     
REMARK   3      L33:   0.6939 L12:  -0.7288                                     
REMARK   3      L13:  -0.0061 L23:   0.0430                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5224 S12:   1.0526 S13:  -0.1838                       
REMARK   3      S21:   0.5039 S22:   0.6636 S23:  -0.5646                       
REMARK   3      S31:   0.0680 S32:   0.3313 S33:   0.0695                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 148 THROUGH 157 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  44.9813  17.7900  42.4422              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.7572 T22:   1.0911                                     
REMARK   3      T33:   0.6185 T12:   0.1866                                     
REMARK   3      T13:   0.0682 T23:  -0.0346                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4090 L22:   0.2138                                     
REMARK   3      L33:   0.2865 L12:  -0.0097                                     
REMARK   3      L13:  -0.2416 L23:  -0.2638                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0793 S12:  -0.0725 S13:  -0.3662                       
REMARK   3      S21:   0.4039 S22:   0.3017 S23:   0.2234                       
REMARK   3      S31:   0.0462 S32:  -1.1040 S33:   0.0155                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 158 THROUGH 178 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  47.4406  26.5242  25.3411              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7138 T22:   0.9049                                     
REMARK   3      T33:   0.8301 T12:  -0.0881                                     
REMARK   3      T13:  -0.1042 T23:  -0.0785                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6234 L22:   0.8243                                     
REMARK   3      L33:   1.1783 L12:   0.4009                                     
REMARK   3      L13:  -0.7438 L23:  -0.6180                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.0472 S12:   1.0133 S13:   1.7927                       
REMARK   3      S21:   1.2525 S22:   0.7862 S23:  -0.3216                       
REMARK   3      S31:  -0.8371 S32:  -0.5566 S33:   0.1273                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 179 THROUGH 193 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  64.6861  14.8718  16.5935              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7927 T22:   1.1503                                     
REMARK   3      T33:   1.0280 T12:   0.2664                                     
REMARK   3      T13:   0.0367 T23:  -0.1908                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1079 L22:   0.3236                                     
REMARK   3      L33:   0.2439 L12:   0.1022                                     
REMARK   3      L13:  -0.0940 L23:   0.1777                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4815 S12:  -0.2728 S13:  -0.2472                       
REMARK   3      S21:  -1.1870 S22:   0.2139 S23:  -0.8447                       
REMARK   3      S31:  -0.1256 S32:   0.9143 S33:   0.0119                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 194 THROUGH 201 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  60.5120   6.1900  21.8859              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9535 T22:   0.9273                                     
REMARK   3      T33:   0.9376 T12:   0.0833                                     
REMARK   3      T13:  -0.6826 T23:  -0.0705                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2393 L22:   0.5030                                     
REMARK   3      L33:   0.0024 L12:   0.1972                                     
REMARK   3      L13:  -0.1059 L23:  -0.1498                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2190 S12:   0.0426 S13:   0.1832                       
REMARK   3      S21:   0.4422 S22:   0.1085 S23:   0.1256                       
REMARK   3      S31:  -0.4247 S32:  -0.1215 S33:   0.0361                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 557 THROUGH 566 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  40.6613  42.3596  19.7505              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.5664 T22:   1.1910                                     
REMARK   3      T33:   0.8623 T12:   0.1422                                     
REMARK   3      T13:  -0.0171 T23:  -0.3641                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0061 L22:   0.0005                                     
REMARK   3      L33:   0.0279 L12:   0.0166                                     
REMARK   3      L13:   0.0268 L23:  -0.0117                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2770 S12:  -0.3495 S13:   0.3287                       
REMARK   3      S21:   0.2604 S22:   0.4510 S23:   0.4767                       
REMARK   3      S31:   0.1010 S32:  -0.0522 S33:   0.0011                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 567 THROUGH 576 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  30.0211  42.4719  22.2009              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.6059 T22:   0.7924                                     
REMARK   3      T33:   1.4898 T12:   0.2100                                     
REMARK   3      T13:  -0.2364 T23:  -0.0495                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6042 L22:   0.4749                                     
REMARK   3      L33:   0.1412 L12:  -0.0063                                     
REMARK   3      L13:  -0.3532 L23:  -0.0004                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5453 S12:  -0.1234 S13:  -0.5814                       
REMARK   3      S21:   0.4032 S22:  -0.6182 S23:   0.5124                       
REMARK   3      S31:  -0.5428 S32:  -0.1753 S33:  -0.0964                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 577 THROUGH 581 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  30.2787  46.4058  11.6750              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0351 T22:   0.9219                                     
REMARK   3      T33:   2.2080 T12:   0.0930                                     
REMARK   3      T13:   0.1173 T23:   0.1342                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1122 L22:   0.0142                                     
REMARK   3      L33:   0.0716 L12:  -0.0341                                     
REMARK   3      L13:   0.0362 L23:  -0.0276                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1739 S12:  -0.1343 S13:  -0.1391                       
REMARK   3      S21:  -0.3798 S22:  -0.3193 S23:  -0.0903                       
REMARK   3      S31:   0.4953 S32:  -0.1747 S33:   0.0021                       
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 582 THROUGH 595 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  22.6267  31.4301  13.7704              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6982 T22:   1.0933                                     
REMARK   3      T33:   1.7841 T12:   0.2622                                     
REMARK   3      T13:   0.7495 T23:   0.4168                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5565 L22:   0.2607                                     
REMARK   3      L33:   1.2940 L12:  -0.0603                                     
REMARK   3      L13:   0.7741 L23:  -0.2483                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   1.2561 S12:  -0.4829 S13:  -0.1300                       
REMARK   3      S21:  -0.2906 S22:   0.8846 S23:   0.6307                       
REMARK   3      S31:   0.4831 S32:  -1.5566 S33:   0.5447                       
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 596 THROUGH 602 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  29.4631  16.9472  22.3249              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.2771 T22:   1.4926                                     
REMARK   3      T33:   1.1057 T12:  -0.1369                                     
REMARK   3      T13:  -0.4077 T23:  -0.2990                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0873 L22:   0.0797                                     
REMARK   3      L33:   0.1780 L12:   0.0691                                     
REMARK   3      L13:   0.0175 L23:  -0.0579                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.7833 S12:   0.0980 S13:  -0.2566                       
REMARK   3      S21:   0.1877 S22:   0.2524 S23:  -0.6543                       
REMARK   3      S31:  -0.3974 S32:  -0.2176 S33:   0.0035                       
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 5UQ3 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-FEB-17.                  
REMARK 100 THE DEPOSITION ID IS D_1000226047.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 28-JUL-16                          
REMARK 200  TEMPERATURE           (KELVIN) : 273                                
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                       : 23-ID-D                            
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.000                              
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS3 S 6M              
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : IMOSFLM                            
REMARK 200  DATA SCALING SOFTWARE          : AIMLESS                            
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 9501                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 3.600                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 68.440                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY                : 7.000                              
REMARK 200  R MERGE                    (I) : 0.19000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 6.5000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.60                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 3.94                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 7.00                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.94000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.000                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 52.86                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.61                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 5% PEG 6000, 0.1M MES PH 5.0, VAPOR      
REMARK 280  DIFFUSION, SITTING DROP, TEMPERATURE 295K                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+1/3                                            
REMARK 290       3555   -X+Y,-X,Z+2/3                                           
REMARK 290       4555   Y,X,-Z                                                  
REMARK 290       5555   X-Y,-Y,-Z+2/3                                           
REMARK 290       6555   -X,-X+Y,-Z+1/3                                          
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       29.49667            
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       58.99333            
REMARK 290   SMTRY1   4 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   5  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       58.99333            
REMARK 290   SMTRY1   6 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       29.49667            
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: 5580 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 20870 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -24.0 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     GLY A    -2                                                      
REMARK 465     GLU A    -1                                                      
REMARK 465     PHE A     0                                                      
REMARK 465     MET A     1                                                      
REMARK 465     GLU A     2                                                      
REMARK 465     ASN A     3                                                      
REMARK 465     PHE A     4                                                      
REMARK 465     GLN A     5                                                      
REMARK 465     LYS A     6                                                      
REMARK 465     VAL A     7                                                      
REMARK 465     GLU A     8                                                      
REMARK 465     LYS A     9                                                      
REMARK 465     ILE A    10                                                      
REMARK 465     GLY A    11                                                      
REMARK 465     GLU A    12                                                      
REMARK 465     GLY A    13                                                      
REMARK 465     THR A    14                                                      
REMARK 465     TYR A    15                                                      
REMARK 465     GLY A    16                                                      
REMARK 465     VAL A    17                                                      
REMARK 465     VAL A    18                                                      
REMARK 465     LEU A    37                                                      
REMARK 465     ASP A    38                                                      
REMARK 465     THR A    39                                                      
REMARK 465     GLU A    40                                                      
REMARK 465     VAL A   293                                                      
REMARK 465     PRO A   294                                                      
REMARK 465     HIS A   295                                                      
REMARK 465     LEU A   296                                                      
REMARK 465     ARG A   297                                                      
REMARK 465     LEU A   298                                                      
REMARK 465     GLY B    54                                                      
REMARK 465     ALA B    55                                                      
REMARK 465     MET B    56                                                      
REMARK 465     ASP B    57                                                      
REMARK 465     PRO B    58                                                      
REMARK 465     GLU B    59                                                      
REMARK 465     PHE B    60                                                      
REMARK 465     GLY B    61                                                      
REMARK 465     PRO B    62                                                      
REMARK 465     CYS B    63                                                      
REMARK 465     LEU B    64                                                      
REMARK 465     VAL B    65                                                      
REMARK 465     ILE B    66                                                      
REMARK 465     HIS B   202                                                      
REMARK 465     HIS B   203                                                      
REMARK 465     SER B   204                                                      
REMARK 465     GLY B   205                                                      
REMARK 465     ALA B   206                                                      
REMARK 465     VAL B   207                                                      
REMARK 465     ARG B   208                                                      
REMARK 465     ASN B   209                                                      
REMARK 465     TYR B   210                                                      
REMARK 465     ASN B   211                                                      
REMARK 465     ARG B   212                                                      
REMARK 465     ASP B   213                                                      
REMARK 465     GLY C   504                                                      
REMARK 465     GLU C   505                                                      
REMARK 465     PHE C   506                                                      
REMARK 465     MET C   507                                                      
REMARK 465     SER C   508                                                      
REMARK 465     ASN C   509                                                      
REMARK 465     VAL C   510                                                      
REMARK 465     ARG C   511                                                      
REMARK 465     VAL C   512                                                      
REMARK 465     SER C   513                                                      
REMARK 465     ASN C   514                                                      
REMARK 465     GLY C   515                                                      
REMARK 465     SER C   516                                                      
REMARK 465     PRO C   517                                                      
REMARK 465     SER C   518                                                      
REMARK 465     LEU C   519                                                      
REMARK 465     GLU C   520                                                      
REMARK 465     ARG C   521                                                      
REMARK 465     MET C   522                                                      
REMARK 465     ASP C   523                                                      
REMARK 465     ALA C   524                                                      
REMARK 465     ARG C   525                                                      
REMARK 465     GLN C   526                                                      
REMARK 465     ALA C   527                                                      
REMARK 465     GLU C   528                                                      
REMARK 465     HIS C   529                                                      
REMARK 465     PRO C   530                                                      
REMARK 465     LYS C   531                                                      
REMARK 465     PRO C   532                                                      
REMARK 465     SER C   533                                                      
REMARK 465     ALA C   534                                                      
REMARK 465     CYS C   535                                                      
REMARK 465     ARG C   536                                                      
REMARK 465     ASN C   537                                                      
REMARK 465     LEU C   538                                                      
REMARK 465     PHE C   539                                                      
REMARK 465     GLY C   540                                                      
REMARK 465     PRO C   541                                                      
REMARK 465     VAL C   542                                                      
REMARK 465     ASP C   543                                                      
REMARK 465     HIS C   544                                                      
REMARK 465     GLU C   545                                                      
REMARK 465     GLU C   546                                                      
REMARK 465     LEU C   547                                                      
REMARK 465     THR C   548                                                      
REMARK 465     ARG C   549                                                      
REMARK 465     ASP C   550                                                      
REMARK 465     LEU C   551                                                      
REMARK 465     GLU C   552                                                      
REMARK 465     LYS C   553                                                      
REMARK 465     HIS C   554                                                      
REMARK 465     CYS C   555                                                      
REMARK 465     ARG C   556                                                      
REMARK 465     GLY C   603                                                      
REMARK 465     ALA C   604                                                      
REMARK 465     CYS C   605                                                      
REMARK 465     LYS C   606                                                      
REMARK 465     VAL C   607                                                      
REMARK 465     PRO C   608                                                      
REMARK 465     ALA C   609                                                      
REMARK 465     GLN C   610                                                      
REMARK 465     GLU C   611                                                      
REMARK 465     SER C   612                                                      
REMARK 465     GLN C   613                                                      
REMARK 465     ASP C   614                                                      
REMARK 465     VAL C   615                                                      
REMARK 465     SER C   616                                                      
REMARK 465     GLY C   617                                                      
REMARK 465     SER C   618                                                      
REMARK 465     ARG C   619                                                      
REMARK 465     PRO C   620                                                      
REMARK 465     ALA C   621                                                      
REMARK 465     ALA C   622                                                      
REMARK 465     PRO C   623                                                      
REMARK 465     LEU C   624                                                      
REMARK 465     ILE C   625                                                      
REMARK 465     GLY C   626                                                      
REMARK 465     ALA C   627                                                      
REMARK 465     PRO C   628                                                      
REMARK 465     ALA C   629                                                      
REMARK 465     ASN C   630                                                      
REMARK 465     SER C   631                                                      
REMARK 465     GLU C   632                                                      
REMARK 465     ASP C   633                                                      
REMARK 465     THR C   634                                                      
REMARK 465     HIS C   635                                                      
REMARK 465     LEU C   636                                                      
REMARK 465     VAL C   637                                                      
REMARK 465     ASP C   638                                                      
REMARK 465     PRO C   639                                                      
REMARK 465     LYS C   640                                                      
REMARK 465     THR C   641                                                      
REMARK 465     ASP C   642                                                      
REMARK 465     PRO C   643                                                      
REMARK 465     SER C   644                                                      
REMARK 465     ASP C   645                                                      
REMARK 465     SER C   646                                                      
REMARK 465     GLN C   647                                                      
REMARK 465     THR C   648                                                      
REMARK 465     GLY C   649                                                      
REMARK 465     LEU C   650                                                      
REMARK 465     ALA C   651                                                      
REMARK 465     GLU C   652                                                      
REMARK 465     GLN C   653                                                      
REMARK 465     CYS C   654                                                      
REMARK 465     ALA C   655                                                      
REMARK 465     GLY C   656                                                      
REMARK 465     ILE C   657                                                      
REMARK 465     ARG C   658                                                      
REMARK 465     LYS C   659                                                      
REMARK 465     ARG C   660                                                      
REMARK 465     PRO C   661                                                      
REMARK 465     ALA C   662                                                      
REMARK 465     THR C   663                                                      
REMARK 465     ASP C   664                                                      
REMARK 465     ASP C   665                                                      
REMARK 465     SER C   666                                                      
REMARK 465     SER C   667                                                      
REMARK 465     THR C   668                                                      
REMARK 465     GLN C   669                                                      
REMARK 465     ASN C   670                                                      
REMARK 465     LYS C   671                                                      
REMARK 465     ARG C   672                                                      
REMARK 465     ALA C   673                                                      
REMARK 465     ASN C   674                                                      
REMARK 465     ARG C   675                                                      
REMARK 465     THR C   676                                                      
REMARK 465     GLU C   677                                                      
REMARK 465     GLU C   678                                                      
REMARK 465     ASN C   679                                                      
REMARK 465     VAL C   680                                                      
REMARK 465     SER C   681                                                      
REMARK 465     ASP C   682                                                      
REMARK 465     GLY C   683                                                      
REMARK 465     SER C   684                                                      
REMARK 465     PRO C   685                                                      
REMARK 465     ASN C   686                                                      
REMARK 465     ALA C   687                                                      
REMARK 465     GLY C   688                                                      
REMARK 465     SER C   689                                                      
REMARK 465     VAL C   690                                                      
REMARK 465     GLU C   691                                                      
REMARK 465     GLN C   692                                                      
REMARK 465     THR C   693                                                      
REMARK 465     PRO C   694                                                      
REMARK 465     LYS C   695                                                      
REMARK 465     LYS C   696                                                      
REMARK 465     PRO C   697                                                      
REMARK 465     GLY C   698                                                      
REMARK 465     LEU C   699                                                      
REMARK 465     ARG C   700                                                      
REMARK 465     ARG C   701                                                      
REMARK 465     ARG C   702                                                      
REMARK 465     GLN C   703                                                      
REMARK 465     THR C   704                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     ARG A  22    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG A  36    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A  65    CG   CD   CE   NZ                                   
REMARK 470     LYS A 105    CG   CD   CE   NZ                                   
REMARK 470     TYR A 179    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470     GLN A 246    CG   CD   OE1  NE2                                  
REMARK 470     LYS A 250    CG   CD   CE   NZ                                   
REMARK 470     LYS B  76    CG   CD   CE   NZ                                   
REMARK 470     GLN B  84    CG   CD   OE1  NE2                                  
REMARK 470     TRP B  88    CG   CD1  CD2  NE1  CE2  CE3  CZ2                   
REMARK 470     TRP B  88    CZ3  CH2                                            
REMARK 470     LYS C 574    CG   CD   CE   NZ                                   
REMARK 470     GLU C 577    CG   CD   OE1  OE2                                  
REMARK 470     LYS C 579    CG   CD   CE   NZ                                   
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O    LYS C   565     ND2  ASN C   567              2.11            
REMARK 500   OD1  ASN C   567     O    GLY C   578              2.18            
REMARK 500   O    VAL A   197     NH1  ARG A   199              2.18            
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    LYS A  20     -144.90     53.89                                   
REMARK 500    ALA A  21      173.38    171.20                                   
REMARK 500    THR A  26      -12.35     68.47                                   
REMARK 500    LEU A  32      -68.71    -95.07                                   
REMARK 500    LYS A  33       75.28     59.53                                   
REMARK 500    ILE A  35      -64.94   -131.99                                   
REMARK 500    GLU A  42       73.90     59.27                                   
REMARK 500    GLU A  73     -120.09     41.87                                   
REMARK 500    ARG A 126       18.19     58.55                                   
REMARK 500    ASP A 145       73.58     60.28                                   
REMARK 500    VAL A 156       66.51     39.16                                   
REMARK 500    VAL A 163      -74.20   -123.76                                   
REMARK 500    LEU A 166     -115.63     56.52                                   
REMARK 500    VAL A 197      -62.17   -101.21                                   
REMARK 500    ARG A 199      -17.56     74.90                                   
REMARK 500    ILE A 209     -133.90     45.42                                   
REMARK 500    ASP A 210      -99.37     53.09                                   
REMARK 500    GLN A 211      -38.27    -37.78                                   
REMARK 500    PRO A 238       47.55    -81.19                                   
REMARK 500    ASP B  70      -77.60    -81.11                                   
REMARK 500    MET B  71      -10.43     62.17                                   
REMARK 500    CYS B  91      -67.04    -95.73                                   
REMARK 500    TYR B 173       -3.06     67.58                                   
REMARK 500    PHE C 568      147.52   -174.94                                   
REMARK 500    PHE C 570      -28.93     73.73                                   
REMARK 500    GLN C 571     -120.16     33.22                                   
REMARK 500    HIS C 573      -15.94     79.16                                   
REMARK 500    LYS C 574       57.07   -140.47                                   
REMARK 500    GLU C 577      -69.69   -133.21                                   
REMARK 500    LYS C 579      -17.69     75.59                                   
REMARK 500    PRO C 591       48.03    -73.63                                   
REMARK 500    GLU C 592      -21.26     65.12                                   
REMARK 500    PRO C 598     -174.72    -68.22                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 PHE C  570     GLN C  571                  132.79                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 5UQ2   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 5UQ1   RELATED DB: PDB                                   
DBREF  5UQ3 A    1   298  UNP    P24941   CDK2_HUMAN       1    298             
DBREF  5UQ3 B   61   213  UNP    Q5MJ70   SPDYA_HUMAN     61    213             
DBREF  5UQ3 C  507   704  UNP    P46527   CDN1B_HUMAN      1    198             
SEQADV 5UQ3 GLY A   -2  UNP  P24941              EXPRESSION TAG                 
SEQADV 5UQ3 GLU A   -1  UNP  P24941              EXPRESSION TAG                 
SEQADV 5UQ3 PHE A    0  UNP  P24941              EXPRESSION TAG                 
SEQADV 5UQ3 GLY B   54  UNP  Q5MJ70              EXPRESSION TAG                 
SEQADV 5UQ3 ALA B   55  UNP  Q5MJ70              EXPRESSION TAG                 
SEQADV 5UQ3 MET B   56  UNP  Q5MJ70              EXPRESSION TAG                 
SEQADV 5UQ3 ASP B   57  UNP  Q5MJ70              EXPRESSION TAG                 
SEQADV 5UQ3 PRO B   58  UNP  Q5MJ70              EXPRESSION TAG                 
SEQADV 5UQ3 GLU B   59  UNP  Q5MJ70              EXPRESSION TAG                 
SEQADV 5UQ3 PHE B   60  UNP  Q5MJ70              EXPRESSION TAG                 
SEQADV 5UQ3 GLY C  504  UNP  P46527              EXPRESSION TAG                 
SEQADV 5UQ3 GLU C  505  UNP  P46527              EXPRESSION TAG                 
SEQADV 5UQ3 PHE C  506  UNP  P46527              EXPRESSION TAG                 
SEQRES   1 A  301  GLY GLU PHE MET GLU ASN PHE GLN LYS VAL GLU LYS ILE          
SEQRES   2 A  301  GLY GLU GLY THR TYR GLY VAL VAL TYR LYS ALA ARG ASN          
SEQRES   3 A  301  LYS LEU THR GLY GLU VAL VAL ALA LEU LYS LYS ILE ARG          
SEQRES   4 A  301  LEU ASP THR GLU THR GLU GLY VAL PRO SER THR ALA ILE          
SEQRES   5 A  301  ARG GLU ILE SER LEU LEU LYS GLU LEU ASN HIS PRO ASN          
SEQRES   6 A  301  ILE VAL LYS LEU LEU ASP VAL ILE HIS THR GLU ASN LYS          
SEQRES   7 A  301  LEU TYR LEU VAL PHE GLU PHE LEU HIS GLN ASP LEU LYS          
SEQRES   8 A  301  LYS PHE MET ASP ALA SER ALA LEU THR GLY ILE PRO LEU          
SEQRES   9 A  301  PRO LEU ILE LYS SER TYR LEU PHE GLN LEU LEU GLN GLY          
SEQRES  10 A  301  LEU ALA PHE CYS HIS SER HIS ARG VAL LEU HIS ARG ASP          
SEQRES  11 A  301  LEU LYS PRO GLN ASN LEU LEU ILE ASN THR GLU GLY ALA          
SEQRES  12 A  301  ILE LYS LEU ALA ASP PHE GLY LEU ALA ARG ALA PHE GLY          
SEQRES  13 A  301  VAL PRO VAL ARG THR TYR THR HIS GLU VAL VAL THR LEU          
SEQRES  14 A  301  TRP TYR ARG ALA PRO GLU ILE LEU LEU GLY CYS LYS TYR          
SEQRES  15 A  301  TYR SER THR ALA VAL ASP ILE TRP SER LEU GLY CYS ILE          
SEQRES  16 A  301  PHE ALA GLU MET VAL THR ARG ARG ALA LEU PHE PRO GLY          
SEQRES  17 A  301  ASP SER GLU ILE ASP GLN LEU PHE ARG ILE PHE ARG THR          
SEQRES  18 A  301  LEU GLY THR PRO ASP GLU VAL VAL TRP PRO GLY VAL THR          
SEQRES  19 A  301  SER MET PRO ASP TYR LYS PRO SER PHE PRO LYS TRP ALA          
SEQRES  20 A  301  ARG GLN ASP PHE SER LYS VAL VAL PRO PRO LEU ASP GLU          
SEQRES  21 A  301  ASP GLY ARG SER LEU LEU SER GLN MET LEU HIS TYR ASP          
SEQRES  22 A  301  PRO ASN LYS ARG ILE SER ALA LYS ALA ALA LEU ALA HIS          
SEQRES  23 A  301  PRO PHE PHE GLN ASP VAL THR LYS PRO VAL PRO HIS LEU          
SEQRES  24 A  301  ARG LEU                                                      
SEQRES   1 B  160  GLY ALA MET ASP PRO GLU PHE GLY PRO CYS LEU VAL ILE          
SEQRES   2 B  160  GLN ARG GLN ASP MET THR ALA PHE PHE LYS LEU PHE ASP          
SEQRES   3 B  160  ASP ASP LEU ILE GLN ASP PHE LEU TRP MET ASP CYS CYS          
SEQRES   4 B  160  CYS LYS ILE ALA ASP LYS TYR LEU LEU ALA MET THR PHE          
SEQRES   5 B  160  VAL TYR PHE LYS ARG ALA LYS PHE THR ILE SER GLU HIS          
SEQRES   6 B  160  THR ARG ILE ASN PHE PHE ILE ALA LEU TYR LEU ALA ASN          
SEQRES   7 B  160  THR VAL GLU GLU ASP GLU GLU GLU THR LYS TYR GLU ILE          
SEQRES   8 B  160  PHE PRO TRP ALA LEU GLY LYS ASN TRP ARG LYS LEU PHE          
SEQRES   9 B  160  PRO ASN PHE LEU LYS LEU ARG ASP GLN LEU TRP ASP ARG          
SEQRES  10 B  160  ILE ASP TYR ARG ALA ILE VAL SER ARG ARG CYS CYS GLU          
SEQRES  11 B  160  GLU VAL MET ALA ILE ALA PRO THR HIS TYR ILE TRP GLN          
SEQRES  12 B  160  ARG GLU ARG SER VAL HIS HIS SER GLY ALA VAL ARG ASN          
SEQRES  13 B  160  TYR ASN ARG ASP                                              
SEQRES   1 C  201  GLY GLU PHE MET SER ASN VAL ARG VAL SER ASN GLY SER          
SEQRES   2 C  201  PRO SER LEU GLU ARG MET ASP ALA ARG GLN ALA GLU HIS          
SEQRES   3 C  201  PRO LYS PRO SER ALA CYS ARG ASN LEU PHE GLY PRO VAL          
SEQRES   4 C  201  ASP HIS GLU GLU LEU THR ARG ASP LEU GLU LYS HIS CYS          
SEQRES   5 C  201  ARG ASP MET GLU GLU ALA SER GLN ARG LYS TRP ASN PHE          
SEQRES   6 C  201  ASP PHE GLN ASN HIS LYS PRO LEU GLU GLY LYS TYR GLU          
SEQRES   7 C  201  TRP GLN GLU VAL GLU LYS GLY SER LEU PRO GLU PHE TYR          
SEQRES   8 C  201  TYR ARG PRO PRO ARG PRO PRO LYS GLY ALA CYS LYS VAL          
SEQRES   9 C  201  PRO ALA GLN GLU SER GLN ASP VAL SER GLY SER ARG PRO          
SEQRES  10 C  201  ALA ALA PRO LEU ILE GLY ALA PRO ALA ASN SER GLU ASP          
SEQRES  11 C  201  THR HIS LEU VAL ASP PRO LYS THR ASP PRO SER ASP SER          
SEQRES  12 C  201  GLN THR GLY LEU ALA GLU GLN CYS ALA GLY ILE ARG LYS          
SEQRES  13 C  201  ARG PRO ALA THR ASP ASP SER SER THR GLN ASN LYS ARG          
SEQRES  14 C  201  ALA ASN ARG THR GLU GLU ASN VAL SER ASP GLY SER PRO          
SEQRES  15 C  201  ASN ALA GLY SER VAL GLU GLN THR PRO LYS LYS PRO GLY          
SEQRES  16 C  201  LEU ARG ARG ARG GLN THR                                      
HELIX    1 AA1 PRO A   45  LYS A   56  1                                  12    
HELIX    2 AA2 LEU A   87  ASP A   92  1                                   6    
HELIX    3 AA3 PRO A  100  HIS A  121  1                                  22    
HELIX    4 AA4 LYS A  129  GLN A  131  5                                   3    
HELIX    5 AA5 THR A  165  ARG A  169  5                                   5    
HELIX    6 AA6 ALA A  170  LEU A  175  1                                   6    
HELIX    7 AA7 THR A  182  ARG A  199  1                                  18    
HELIX    8 AA8 ASP A  210  LEU A  219  1                                  10    
HELIX    9 AA9 GLY A  229  MET A  233  5                                   5    
HELIX   10 AB1 ASP A  247  VAL A  252  1                                   6    
HELIX   11 AB2 ASP A  256  LEU A  267  1                                  12    
HELIX   12 AB3 SER A  276  LEU A  281  1                                   6    
HELIX   13 AB4 HIS A  283  VAL A  289  5                                   7    
HELIX   14 AB5 MET B   71  LYS B   76  1                                   6    
HELIX   15 AB6 LEU B   77  ASP B   79  5                                   3    
HELIX   16 AB7 ASP B   80  ASP B   90  1                                  11    
HELIX   17 AB8 TYR B   99  ALA B  111  1                                  13    
HELIX   18 AB9 THR B  119  GLU B  135  1                                  17    
HELIX   19 AC1 GLU B  139  GLU B  143  5                                   5    
HELIX   20 AC2 ILE B  144  GLY B  150  1                                   7    
HELIX   21 AC3 PHE B  157  ILE B  171  1                                  15    
HELIX   22 AC4 SER B  178  MET B  186  1                                   9    
HELIX   23 AC5 HIS B  192  ARG B  197  5                                   6    
HELIX   24 AC6 MET C  558  ASN C  567  1                                  10    
HELIX   25 AC7 GLU C  586  LEU C  590  5                                   5    
SHEET    1 AA1 2 VAL A  30  ALA A  31  0                                        
SHEET    2 AA1 2 PHE A  80  GLU A  81 -1  O  PHE A  80   N  ALA A  31           
SHEET    1 AA2 3 GLN A  85  ASP A  86  0                                        
SHEET    2 AA2 3 LEU A 133  ILE A 135 -1  O  ILE A 135   N  GLN A  85           
SHEET    3 AA2 3 ILE A 141  LEU A 143 -1  O  LYS A 142   N  LEU A 134           
SSBOND   1 CYS B   91    CYS B   92                          1555   5555  2.03  
LINK         CB  CYS B  91                 SG  CYS B  92     1555   5555  1.98  
CRYST1  124.650  124.650   88.490  90.00  90.00 120.00 P 31 2 1      6          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.008022  0.004632  0.000000        0.00000                         
SCALE2      0.000000  0.009264  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.011301        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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