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Database: PDB
Entry: 4EAJ
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HEADER    TRANSFERASE                             22-MAR-12   4EAJ              
TITLE     CO-CRYSTAL OF AMPK CORE WITH AMP SOAKED WITH ATP                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1; 
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: AMPK SUBUNIT ALPHA-1,ACETYL-COA CARBOXYLASE KINASE,ACACA    
COMPND   5 KINASE,HYDROXYMETHYLGLUTARYL-COA REDUCTASE KINASE,HMGCR KINASE,TAU-  
COMPND   6 PROTEIN KINASE PRKAA1;                                               
COMPND   7 EC: 2.7.11.1,2.7.11.27,2.7.11.31,2.7.11.26;                          
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 OTHER_DETAILS: CHIMERA PROTEIN OF RESIDUES 405-479 AND RESIDUES 540- 
COMPND  10 559 FROM 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1   
COMPND  11 (UNIPROT P54645), LINKED BY LINKER GGGGGG;                           
COMPND  12 MOL_ID: 2;                                                           
COMPND  13 MOLECULE: 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2;            
COMPND  14 CHAIN: B;                                                            
COMPND  15 FRAGMENT: UNP RESIDUES 189-272;                                      
COMPND  16 SYNONYM: AMPK SUBUNIT BETA-2;                                        
COMPND  17 ENGINEERED: YES;                                                     
COMPND  18 MOL_ID: 3;                                                           
COMPND  19 MOLECULE: 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1;           
COMPND  20 CHAIN: C;                                                            
COMPND  21 SYNONYM: AMPKG;                                                      
COMPND  22 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                              
SOURCE   3 ORGANISM_COMMON: RAT;                                                
SOURCE   4 ORGANISM_TAXID: 10116;                                               
SOURCE   5 GENE: PRKAA1, AMPK1;                                                 
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 MOL_ID: 2;                                                           
SOURCE  10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  11 ORGANISM_COMMON: HUMAN;                                              
SOURCE  12 ORGANISM_TAXID: 9606;                                                
SOURCE  13 GENE: PRKAB2;                                                        
SOURCE  14 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  15 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  16 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  17 MOL_ID: 3;                                                           
SOURCE  18 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                              
SOURCE  19 ORGANISM_COMMON: RAT;                                                
SOURCE  20 ORGANISM_TAXID: 10116;                                               
SOURCE  21 GENE: PRKAG1;                                                        
SOURCE  22 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  23 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  24 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID                               
KEYWDS    AMPK, TRANSFERASE                                                     
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    L.CHEN,J.WANG,Y.-Y.ZHANG,S.F.YAN,D.NEUMANN,U.SCHLATTNER,Z.-X.WANG,J.- 
AUTHOR   2 W.WU                                                                 
REVDAT   3   21-JUN-17 4EAJ    1       COMPND SOURCE                            
REVDAT   2   12-MAR-14 4EAJ    1       JRNL                                     
REVDAT   1   06-JUN-12 4EAJ    0                                                
JRNL        AUTH   L.CHEN,J.WANG,Y.-Y.ZHANG,S.F.YAN,D.NEUMANN,U.SCHLATTNER,     
JRNL        AUTH 2 Z.-X.WANG,J.-W.WU                                            
JRNL        TITL   AMP-ACTIVATED PROTEIN KINASE UNDERGOES NUCLEOTIDE-DEPENDENT  
JRNL        TITL 2 CONFORMATIONAL CHANGES                                       
JRNL        REF    NAT.STRUCT.MOL.BIOL.          V.  19   716 2012              
JRNL        REFN                   ISSN 1545-9993                               
JRNL        PMID   22659875                                                     
JRNL        DOI    10.1038/NSMB.2319                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.61 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.5_2                                         
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.61                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 29.61                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.080                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 94.2                           
REMARK   3   NUMBER OF REFLECTIONS             : 16423                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.204                           
REMARK   3   R VALUE            (WORKING SET) : 0.202                           
REMARK   3   FREE R VALUE                     : 0.258                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.030                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 826                             
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 29.6106 -  4.7362    0.99     2889   146  0.2043 0.2409        
REMARK   3     2  4.7362 -  3.7617    0.99     2751   138  0.1637 0.2266        
REMARK   3     3  3.7617 -  3.2869    0.98     2682   147  0.1938 0.2515        
REMARK   3     4  3.2869 -  2.9867    0.96     2647   121  0.2192 0.3068        
REMARK   3     5  2.9867 -  2.7728    0.92     2472   144  0.2241 0.2787        
REMARK   3     6  2.7728 -  2.6094    0.81     2156   130  0.2388 0.3013        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.00                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3   K_SOL              : 0.33                                          
REMARK   3   B_SOL              : 42.54                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.350            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 24.030           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 48.95                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 5.70780                                              
REMARK   3    B22 (A**2) : -1.09580                                             
REMARK   3    B33 (A**2) : -4.61210                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.005           3710                                  
REMARK   3   ANGLE     :  1.032           5045                                  
REMARK   3   CHIRALITY :  0.060            591                                  
REMARK   3   PLANARITY :  0.004            604                                  
REMARK   3   DIHEDRAL  : 19.957           1349                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 15                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 394:425)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   3.9430  39.4771 -13.7987              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3575 T22:   0.2586                                     
REMARK   3      T33:   0.4204 T12:  -0.0881                                     
REMARK   3      T13:  -0.1803 T23:  -0.0537                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1846 L22:   1.0215                                     
REMARK   3      L33:   0.3190 L12:   0.1709                                     
REMARK   3      L13:  -0.1847 L23:  -0.7870                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1682 S12:  -0.1258 S13:   0.0905                       
REMARK   3      S21:   0.4877 S22:  -0.1605 S23:  -0.1210                       
REMARK   3      S31:  -0.2292 S32:   0.0999 S33:  -0.0000                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 426:445)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  10.7158  29.0297 -18.8639              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2910 T22:   0.4335                                     
REMARK   3      T33:   0.6857 T12:   0.0026                                     
REMARK   3      T13:   0.0410 T23:   0.0803                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1596 L22:   0.2300                                     
REMARK   3      L33:   0.3040 L12:   0.2085                                     
REMARK   3      L13:   0.1359 L23:   0.2685                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0495 S12:   0.2103 S13:   0.3176                       
REMARK   3      S21:   0.0562 S22:  -0.2308 S23:  -0.9936                       
REMARK   3      S31:   0.1494 S32:   0.1475 S33:  -0.0000                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 446:472)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   0.4458  36.6045 -21.2222              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2977 T22:   0.2366                                     
REMARK   3      T33:   0.4089 T12:   0.0197                                     
REMARK   3      T13:  -0.0637 T23:  -0.0179                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5774 L22:   0.3306                                     
REMARK   3      L33:   1.0967 L12:   0.5081                                     
REMARK   3      L13:  -0.4769 L23:  -0.1622                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1442 S12:   0.3915 S13:  -0.0852                       
REMARK   3      S21:  -0.1705 S22:  -0.1159 S23:   0.3544                       
REMARK   3      S31:  -0.1464 S32:   0.1419 S33:  -0.0000                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 473:493)                            
REMARK   3    ORIGIN FOR THE GROUP (A):   2.0857  26.8124 -12.0190              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2790 T22:   0.3323                                     
REMARK   3      T33:   0.3227 T12:   0.0106                                     
REMARK   3      T13:  -0.0920 T23:  -0.0354                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1278 L22:   0.1341                                     
REMARK   3      L33:   0.0099 L12:   0.1403                                     
REMARK   3      L13:   0.0464 L23:   0.0329                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2629 S12:  -0.0466 S13:   0.0421                       
REMARK   3      S21:   0.4627 S22:   0.4970 S23:  -0.7557                       
REMARK   3      S31:  -0.1635 S32:   0.6414 S33:   0.0000                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: (CHAIN B AND RESID 204:210)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -3.4007  44.1068 -27.5856              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4654 T22:   0.2457                                     
REMARK   3      T33:   0.5539 T12:   0.0011                                     
REMARK   3      T13:  -0.2784 T23:   0.0744                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2983 L22:   0.0843                                     
REMARK   3      L33:   0.1990 L12:   0.0672                                     
REMARK   3      L13:  -0.1443 L23:  -0.0546                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1251 S12:  -0.0994 S13:   0.5586                       
REMARK   3      S21:  -0.4295 S22:  -0.5449 S23:  -0.5137                       
REMARK   3      S31:  -0.3789 S32:   0.4332 S33:   0.0074                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: (CHAIN B AND RESID 211:236)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -13.2337  34.9134 -23.0428              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5387 T22:   0.3622                                     
REMARK   3      T33:   0.5623 T12:  -0.0347                                     
REMARK   3      T13:   0.0291 T23:   0.0465                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0690 L22:   0.0657                                     
REMARK   3      L33:   0.0184 L12:  -0.0679                                     
REMARK   3      L13:  -0.0072 L23:  -0.0455                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.7054 S12:   0.5620 S13:   0.8820                       
REMARK   3      S21:  -0.4064 S22:   0.2743 S23:   0.9339                       
REMARK   3      S31:   0.1816 S32:   0.2674 S33:  -0.0000                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: (CHAIN B AND RESID 237:245)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.2918  30.7039 -19.4036              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2626 T22:   0.2939                                     
REMARK   3      T33:   0.2553 T12:  -0.0690                                     
REMARK   3      T13:   0.0489 T23:  -0.0710                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1310 L22:   0.2148                                     
REMARK   3      L33:   0.1051 L12:   0.0463                                     
REMARK   3      L13:   0.0946 L23:  -0.1117                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0023 S12:  -0.1708 S13:   0.5654                       
REMARK   3      S21:  -0.0423 S22:   0.1704 S23:  -0.0300                       
REMARK   3      S31:  -0.0072 S32:   0.1850 S33:   0.0000                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: (CHAIN B AND RESID 246:251)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -9.8863  30.5189  -2.6683              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4765 T22:   0.4272                                     
REMARK   3      T33:   0.4747 T12:   0.0906                                     
REMARK   3      T13:   0.0483 T23:  -0.1826                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0238 L22:   0.0488                                     
REMARK   3      L33:   0.0298 L12:  -0.0323                                     
REMARK   3      L13:   0.0276 L23:  -0.0137                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3993 S12:   0.1609 S13:   0.2752                       
REMARK   3      S21:  -0.0521 S22:  -0.0809 S23:   0.1718                       
REMARK   3      S31:  -0.2219 S32:   0.0776 S33:   0.0000                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: (CHAIN B AND RESID 252:271)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.0490  21.2012 -19.7473              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2500 T22:   0.2422                                     
REMARK   3      T33:   0.1984 T12:  -0.0118                                     
REMARK   3      T13:  -0.0170 T23:  -0.0323                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2407 L22:   0.3589                                     
REMARK   3      L33:   0.1395 L12:   0.2945                                     
REMARK   3      L13:  -0.2011 L23:  -0.1258                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0167 S12:  -0.0393 S13:   0.2574                       
REMARK   3      S21:  -0.1255 S22:  -0.0528 S23:  -0.2971                       
REMARK   3      S31:  -0.3491 S32:   0.1565 S33:   0.0000                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 26:106)                             
REMARK   3    ORIGIN FOR THE GROUP (A): -12.6630  10.9400  -8.3677              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1261 T22:   0.1708                                     
REMARK   3      T33:   0.1640 T12:   0.0443                                     
REMARK   3      T13:  -0.0236 T23:  -0.0317                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4739 L22:   0.6155                                     
REMARK   3      L33:   1.2874 L12:  -0.0406                                     
REMARK   3      L13:  -0.0666 L23:  -0.4273                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0325 S12:  -0.0077 S13:  -0.0259                       
REMARK   3      S21:   0.0738 S22:  -0.0255 S23:  -0.1330                       
REMARK   3      S31:  -0.2273 S32:  -0.0772 S33:  -0.0000                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 107:126)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -8.6769  11.9947   5.0542              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5580 T22:   0.6174                                     
REMARK   3      T33:   0.2328 T12:  -0.0991                                     
REMARK   3      T13:   0.0450 T23:   0.0485                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1784 L22:   0.1505                                     
REMARK   3      L33:   0.0186 L12:   0.1533                                     
REMARK   3      L13:  -0.0765 L23:   0.0123                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0853 S12:  -0.6106 S13:   0.0879                       
REMARK   3      S21:  -0.7245 S22:  -0.2927 S23:   0.3098                       
REMARK   3      S31:  -0.3830 S32:   0.8008 S33:  -0.0000                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 127:222)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -18.3300  -1.4163 -16.7417              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1877 T22:   0.1319                                     
REMARK   3      T33:   0.1190 T12:   0.0384                                     
REMARK   3      T13:  -0.0394 T23:  -0.0074                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0354 L22:   1.4018                                     
REMARK   3      L33:   0.9517 L12:   0.9954                                     
REMARK   3      L13:   0.1252 L23:   0.1934                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0424 S12:   0.0358 S13:  -0.1029                       
REMARK   3      S21:  -0.0891 S22:   0.0289 S23:  -0.1192                       
REMARK   3      S31:   0.2667 S32:  -0.0551 S33:   0.0000                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 223:265)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -32.6491   5.3370  -2.9323              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3305 T22:   0.3424                                     
REMARK   3      T33:   0.2579 T12:  -0.0256                                     
REMARK   3      T13:  -0.0206 T23:  -0.1052                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1122 L22:   0.4347                                     
REMARK   3      L33:   0.5869 L12:   0.3710                                     
REMARK   3      L13:  -0.0918 L23:   0.1447                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0037 S12:  -0.2785 S13:  -0.0369                       
REMARK   3      S21:   0.3381 S22:  -0.2354 S23:   0.1311                       
REMARK   3      S31:  -0.0801 S32:  -0.3489 S33:  -0.0000                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 266:273)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -36.6541  12.5014 -12.2365              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.3488 T22:   0.6683                                     
REMARK   3      T33:   0.9235 T12:   0.0299                                     
REMARK   3      T13:  -0.1740 T23:  -0.0366                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0644 L22:   0.0250                                     
REMARK   3      L33:   0.0332 L12:  -0.0638                                     
REMARK   3      L13:   0.0848 L23:  -0.0265                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4252 S12:   0.3741 S13:   0.5014                       
REMARK   3      S21:   0.0410 S22:   0.3590 S23:  -0.4703                       
REMARK   3      S31:   0.0607 S32:  -0.5708 S33:   0.0000                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 274:324)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -30.4124  -5.9549 -18.2541              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2343 T22:   0.2491                                     
REMARK   3      T33:   0.2098 T12:  -0.0507                                     
REMARK   3      T13:  -0.0058 T23:  -0.0228                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3711 L22:   0.6795                                     
REMARK   3      L33:   0.3771 L12:   0.0673                                     
REMARK   3      L13:  -0.3459 L23:   0.3010                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1564 S12:   0.0925 S13:  -0.0198                       
REMARK   3      S21:   0.0111 S22:  -0.1774 S23:  -0.0200                       
REMARK   3      S31:  -0.0015 S32:  -0.2940 S33:   0.0000                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4EAJ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 05-APR-12.                  
REMARK 100 THE DEPOSITION ID IS D_1000071375.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 14-SEP-10                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.26                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRF                               
REMARK 200  BEAMLINE                       : BL17U                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.99583                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARMOSAIC 225 MM CCD               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 17204                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.600                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 30.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.7                               
REMARK 200  DATA REDUNDANCY                : NULL                               
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.60                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.64                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 85.8                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: PDB ENTRY 2V92                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 46.86                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.31                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: MES PH 6.26, 16% IPP, 1% 1,4             
REMARK 280  -BUTANEDIOL, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298 K       
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 2                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z                                                 
REMARK 290       3555   -X+1/2,Y+1/2,-Z                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000       48.55200            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       58.00300            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       48.55200            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       58.00300            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC                          
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC                   
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 7800 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 21190 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -37.0 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   389                                                      
REMARK 465     PRO A   390                                                      
REMARK 465     HIS A   391                                                      
REMARK 465     MET A   392                                                      
REMARK 465     GLY A   393                                                      
REMARK 465     GLN A   494                                                      
REMARK 465     MET B   188                                                      
REMARK 465     TYR B   189                                                      
REMARK 465     GLY B   190                                                      
REMARK 465     GLN B   191                                                      
REMARK 465     GLU B   192                                                      
REMARK 465     MET B   193                                                      
REMARK 465     TYR B   194                                                      
REMARK 465     ALA B   195                                                      
REMARK 465     PHE B   196                                                      
REMARK 465     ARG B   197                                                      
REMARK 465     SER B   198                                                      
REMARK 465     GLU B   199                                                      
REMARK 465     GLU B   200                                                      
REMARK 465     ARG B   201                                                      
REMARK 465     PHE B   202                                                      
REMARK 465     LYS B   203                                                      
REMARK 465     LYS B   219                                                      
REMARK 465     ASP B   220                                                      
REMARK 465     THR B   221                                                      
REMARK 465     ASN B   222                                                      
REMARK 465     ILE B   223                                                      
REMARK 465     SER B   224                                                      
REMARK 465     CYS B   225                                                      
REMARK 465     ASP B   226                                                      
REMARK 465     PRO B   227                                                      
REMARK 465     ALA B   228                                                      
REMARK 465     LEU B   229                                                      
REMARK 465     LEU B   230                                                      
REMARK 465     PRO B   231                                                      
REMARK 465     GLU B   232                                                      
REMARK 465     PRO B   233                                                      
REMARK 465     ASN B   234                                                      
REMARK 465     HIS B   235                                                      
REMARK 465     ILE B   272                                                      
REMARK 465     MET C     1                                                      
REMARK 465     GLU C     2                                                      
REMARK 465     SER C     3                                                      
REMARK 465     VAL C     4                                                      
REMARK 465     ALA C     5                                                      
REMARK 465     ALA C     6                                                      
REMARK 465     GLU C     7                                                      
REMARK 465     SER C     8                                                      
REMARK 465     ALA C     9                                                      
REMARK 465     PRO C    10                                                      
REMARK 465     ALA C    11                                                      
REMARK 465     PRO C    12                                                      
REMARK 465     GLU C    13                                                      
REMARK 465     ASN C    14                                                      
REMARK 465     GLU C    15                                                      
REMARK 465     HIS C    16                                                      
REMARK 465     SER C    17                                                      
REMARK 465     GLN C    18                                                      
REMARK 465     GLU C    19                                                      
REMARK 465     THR C    20                                                      
REMARK 465     PRO C    21                                                      
REMARK 465     GLU C    22                                                      
REMARK 465     SER C    23                                                      
REMARK 465     ASN C    24                                                      
REMARK 465     SER C    25                                                      
REMARK 465     LEU C   121                                                      
REMARK 465     GLN C   122                                                      
REMARK 465     ASP C   123                                                      
REMARK 465     SER C   124                                                      
REMARK 465     PHE C   125                                                      
REMARK 465     GLU C   251                                                      
REMARK 465     LYS C   252                                                      
REMARK 465     THR C   253                                                      
REMARK 465     TYR C   254                                                      
REMARK 465     ASN C   255                                                      
REMARK 465     GLY C   325                                                      
REMARK 465     GLY C   326                                                      
REMARK 465     GLU C   327                                                      
REMARK 465     LYS C   328                                                      
REMARK 465     LYS C   329                                                      
REMARK 465     PRO C   330                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ASP A 421       32.81     75.95                                   
REMARK 500    LEU A 492     -133.11    -65.99                                   
REMARK 500    ASN B 239       -3.07     76.80                                   
REMARK 500    LYS B 260     -129.89     55.78                                   
REMARK 500    THR C 209       33.92    -96.30                                   
REMARK 500    ASP C 231     -165.61   -114.42                                   
REMARK 500    ASN C 247       -9.33    -52.86                                   
REMARK 500    HIS C 267       28.23    -77.25                                   
REMARK 500    ARG C 268      106.13    -55.04                                   
REMARK 500    ASP C 303     -167.24   -108.00                                   
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 ATP C 401                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ATP C 402                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE AMP C 403                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4EAG   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4EAI   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4EAK   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4EAL   RELATED DB: PDB                                   
DBREF  4EAJ A  394   468  UNP    P54645   AAPK1_RAT      405    479             
DBREF  4EAJ A  475   494  UNP    P54645   AAPK1_RAT      540    559             
DBREF  4EAJ B  189   272  UNP    O43741   AAKB2_HUMAN    189    272             
DBREF  4EAJ C    1   330  UNP    P80385   AAKG1_RAT        1    330             
SEQADV 4EAJ GLY A  389  UNP  P54645              EXPRESSION TAG                 
SEQADV 4EAJ PRO A  390  UNP  P54645              EXPRESSION TAG                 
SEQADV 4EAJ HIS A  391  UNP  P54645              EXPRESSION TAG                 
SEQADV 4EAJ MET A  392  UNP  P54645              EXPRESSION TAG                 
SEQADV 4EAJ GLY A  393  UNP  P54645              EXPRESSION TAG                 
SEQADV 4EAJ GLY A  469  UNP  P54645              LINKER                         
SEQADV 4EAJ GLY A  470  UNP  P54645              LINKER                         
SEQADV 4EAJ GLY A  471  UNP  P54645              LINKER                         
SEQADV 4EAJ GLY A  472  UNP  P54645              LINKER                         
SEQADV 4EAJ GLY A  473  UNP  P54645              LINKER                         
SEQADV 4EAJ GLY A  474  UNP  P54645              LINKER                         
SEQADV 4EAJ MET B  188  UNP  O43741              EXPRESSION TAG                 
SEQRES   1 A  106  GLY PRO HIS MET GLY ALA LYS TRP HIS LEU GLY ILE ARG          
SEQRES   2 A  106  SER GLN SER ARG PRO ASN ASP ILE MET ALA GLU VAL CYS          
SEQRES   3 A  106  ARG ALA ILE LYS GLN LEU ASP TYR GLU TRP LYS VAL VAL          
SEQRES   4 A  106  ASN PRO TYR TYR LEU ARG VAL ARG ARG LYS ASN PRO VAL          
SEQRES   5 A  106  THR SER THR PHE SER LYS MET SER LEU GLN LEU TYR GLN          
SEQRES   6 A  106  VAL ASP SER ARG THR TYR LEU LEU ASP PHE ARG SER ILE          
SEQRES   7 A  106  ASP ASP GLY GLY GLY GLY GLY GLY GLY SER HIS THR ILE          
SEQRES   8 A  106  GLU PHE PHE GLU MET CYS ALA ASN LEU ILE LYS ILE LEU          
SEQRES   9 A  106  ALA GLN                                                      
SEQRES   1 B   85  MET TYR GLY GLN GLU MET TYR ALA PHE ARG SER GLU GLU          
SEQRES   2 B   85  ARG PHE LYS SER PRO PRO ILE LEU PRO PRO HIS LEU LEU          
SEQRES   3 B   85  GLN VAL ILE LEU ASN LYS ASP THR ASN ILE SER CYS ASP          
SEQRES   4 B   85  PRO ALA LEU LEU PRO GLU PRO ASN HIS VAL MET LEU ASN          
SEQRES   5 B   85  HIS LEU TYR ALA LEU SER ILE LYS ASP SER VAL MET VAL          
SEQRES   6 B   85  LEU SER ALA THR HIS ARG TYR LYS LYS LYS TYR VAL THR          
SEQRES   7 B   85  THR LEU LEU TYR LYS PRO ILE                                  
SEQRES   1 C  330  MET GLU SER VAL ALA ALA GLU SER ALA PRO ALA PRO GLU          
SEQRES   2 C  330  ASN GLU HIS SER GLN GLU THR PRO GLU SER ASN SER SER          
SEQRES   3 C  330  VAL TYR THR THR PHE MET LYS SER HIS ARG CYS TYR ASP          
SEQRES   4 C  330  LEU ILE PRO THR SER SER LYS LEU VAL VAL PHE ASP THR          
SEQRES   5 C  330  SER LEU GLN VAL LYS LYS ALA PHE PHE ALA LEU VAL THR          
SEQRES   6 C  330  ASN GLY VAL ARG ALA ALA PRO LEU TRP ASP SER LYS LYS          
SEQRES   7 C  330  GLN SER PHE VAL GLY MET LEU THR ILE THR ASP PHE ILE          
SEQRES   8 C  330  ASN ILE LEU HIS ARG TYR TYR LYS SER ALA LEU VAL GLN          
SEQRES   9 C  330  ILE TYR GLU LEU GLU GLU HIS LYS ILE GLU THR TRP ARG          
SEQRES  10 C  330  GLU VAL TYR LEU GLN ASP SER PHE LYS PRO LEU VAL CYS          
SEQRES  11 C  330  ILE SER PRO ASN ALA SER LEU PHE ASP ALA VAL SER SER          
SEQRES  12 C  330  LEU ILE ARG ASN LYS ILE HIS ARG LEU PRO VAL ILE ASP          
SEQRES  13 C  330  PRO GLU SER GLY ASN THR LEU TYR ILE LEU THR HIS LYS          
SEQRES  14 C  330  ARG ILE LEU LYS PHE LEU LYS LEU PHE ILE THR GLU PHE          
SEQRES  15 C  330  PRO LYS PRO GLU PHE MET SER LYS SER LEU GLU GLU LEU          
SEQRES  16 C  330  GLN ILE GLY THR TYR ALA ASN ILE ALA MET VAL ARG THR          
SEQRES  17 C  330  THR THR PRO VAL TYR VAL ALA LEU GLY ILE PHE VAL GLN          
SEQRES  18 C  330  HIS ARG VAL SER ALA LEU PRO VAL VAL ASP GLU LYS GLY          
SEQRES  19 C  330  ARG VAL VAL ASP ILE TYR SER LYS PHE ASP VAL ILE ASN          
SEQRES  20 C  330  LEU ALA ALA GLU LYS THR TYR ASN ASN LEU ASP VAL SER          
SEQRES  21 C  330  VAL THR LYS ALA LEU GLN HIS ARG SER HIS TYR PHE GLU          
SEQRES  22 C  330  GLY VAL LEU LYS CYS TYR LEU HIS GLU THR LEU GLU ALA          
SEQRES  23 C  330  ILE ILE ASN ARG LEU VAL GLU ALA GLU VAL HIS ARG LEU          
SEQRES  24 C  330  VAL VAL VAL ASP GLU HIS ASP VAL VAL LYS GLY ILE VAL          
SEQRES  25 C  330  SER LEU SER ASP ILE LEU GLN ALA LEU VAL LEU THR GLY          
SEQRES  26 C  330  GLY GLU LYS LYS PRO                                          
HET    ATP  C 401      31                                                       
HET    ATP  C 402      31                                                       
HET    AMP  C 403      23                                                       
HETNAM     ATP ADENOSINE-5'-TRIPHOSPHATE                                        
HETNAM     AMP ADENOSINE MONOPHOSPHATE                                          
FORMUL   4  ATP    2(C10 H16 N5 O13 P3)                                         
FORMUL   6  AMP    C10 H14 N5 O7 P                                              
FORMUL   7  HOH   *54(H2 O)                                                     
HELIX    1   1 ARG A  405  ASP A  421  1                                  17    
HELIX    2   2 SER A  476  LEU A  492  1                                  17    
HELIX    3   3 VAL C   27  SER C   34  1                                   8    
HELIX    4   4 ARG C   36  ILE C   41  5                                   6    
HELIX    5   5 GLN C   55  GLY C   67  1                                  13    
HELIX    6   6 ILE C   87  LEU C  102  1                                  16    
HELIX    7   7 LYS C  112  TYR C  120  1                                   9    
HELIX    8   8 SER C  136  LYS C  148  1                                  13    
HELIX    9   9 THR C  167  ILE C  179  1                                  13    
HELIX   10  10 PRO C  185  LYS C  190  5                                   6    
HELIX   11  11 SER C  191  GLN C  196  1                                   6    
HELIX   12  12 PRO C  211  ARG C  223  1                                  13    
HELIX   13  13 VAL C  245  ALA C  249  5                                   5    
HELIX   14  14 SER C  260  LEU C  265  1                                   6    
HELIX   15  15 THR C  283  GLU C  295  1                                  13    
HELIX   16  16 LEU C  314  LEU C  323  1                                  10    
SHEET    1   A 8 VAL B 215  LEU B 217  0                                        
SHEET    2   A 8 LYS A 395  LEU A 398 -1  N  TRP A 396   O  ILE B 216           
SHEET    3   A 8 TYR B 242  LEU B 244 -1  O  ALA B 243   N  HIS A 397           
SHEET    4   A 8 MET B 251  TYR B 259 -1  O  SER B 254   N  TYR B 242           
SHEET    5   A 8 LYS B 262  LYS B 270 -1  O  LYS B 270   N  MET B 251           
SHEET    6   A 8 SER C  44  ASP C  51  1  O  VAL C  49   N  LEU B 267           
SHEET    7   A 8 ALA C  70  ASP C  75  1  O  TRP C  74   N  PHE C  50           
SHEET    8   A 8 SER C  80  THR C  86 -1  O  LEU C  85   N  ALA C  71           
SHEET    1   B 5 ILE A 400  SER A 402  0                                        
SHEET    2   B 5 TYR A 459  SER A 465 -1  O  TYR A 459   N  SER A 402           
SHEET    3   B 5 PHE A 444  GLN A 453 -1  N  GLN A 450   O  ASP A 462           
SHEET    4   B 5 TYR A 431  LYS A 437 -1  N  LEU A 432   O  LEU A 449           
SHEET    5   B 5 GLU A 423  ASN A 428 -1  N  GLU A 423   O  ARG A 435           
SHEET    1   C 2 LEU C 152  ILE C 155  0                                        
SHEET    2   C 2 THR C 162  LEU C 166 -1  O  LEU C 163   N  VAL C 154           
SHEET    1   D 3 VAL C 206  ARG C 207  0                                        
SHEET    2   D 3 ALA C 226  VAL C 230  1  O  PRO C 228   N  VAL C 206           
SHEET    3   D 3 VAL C 236  SER C 241 -1  O  TYR C 240   N  LEU C 227           
SHEET    1   E 3 LYS C 277  CYS C 278  0                                        
SHEET    2   E 3 ARG C 298  VAL C 302  1  O  VAL C 302   N  CYS C 278           
SHEET    3   E 3 VAL C 308  SER C 313 -1  O  VAL C 312   N  LEU C 299           
CISPEP   1 GLY A  470    GLY A  471          0        -2.80                     
CISPEP   2 GLY A  472    GLY A  473          0         0.00                     
CISPEP   3 GLY A  473    GLY A  474          0         2.78                     
CISPEP   4 PRO B  210    HIS B  211          0        11.96                     
CISPEP   5 PHE C  182    PRO C  183          0        11.66                     
SITE     1 AC1 15 ARG C  69  ARG C 151  LYS C 169  ILE C 239                    
SITE     2 AC1 15 SER C 241  PHE C 243  ASP C 244  ARG C 268                    
SITE     3 AC1 15 PHE C 272  GLY C 274  VAL C 275  LEU C 276                    
SITE     4 AC1 15 VAL C 296  HIS C 297  ARG C 298                               
SITE     1 AC2 13 ARG C  69  MET C  84  THR C  86  ILE C  87                    
SITE     2 AC2 13 THR C  88  ASP C  89  PRO C 127  VAL C 129                    
SITE     3 AC2 13 HIS C 150  ARG C 151  PRO C 153  SER C 225                    
SITE     4 AC2 13 HOH C 507                                                     
SITE     1 AC3 15 HIS C 150  THR C 199  ASN C 202  ILE C 203                    
SITE     2 AC3 15 ALA C 204  VAL C 224  SER C 225  ALA C 226                    
SITE     3 AC3 15 PRO C 228  HIS C 297  SER C 313  SER C 315                    
SITE     4 AC3 15 ASP C 316  HOH C 502  HOH C 507                               
CRYST1   97.104  116.006   48.840  90.00  90.00  90.00 P 21 21 2     4          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.010298  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.008620  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.020475        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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