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Database: PDB
Entry: 4EAL
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HEADER    TRANSFERASE                             22-MAR-12   4EAL              
TITLE     CO-CRYSTAL OF AMPK CORE WITH ATP SOAKED WITH AMP                      
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-1;            
COMPND  14 CHAIN: B;                                                            
COMPND  15 FRAGMENT: UNP RESIDUES 200-270;                                      
COMPND  16 SYNONYM: AMPKB,5'-AMP-ACTIVATED PROTEIN KINASE 40 KDA SUBUNIT;       
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: RATTUS NORVEGICUS;                              
SOURCE  11 ORGANISM_COMMON: RAT;                                                
SOURCE  12 ORGANISM_TAXID: 10116;                                               
SOURCE  13 GENE: PRKAB1;                                                        
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 4EAL    1       COMPND SOURCE                            
REVDAT   2   12-MAR-14 4EAL    1       JRNL                                     
REVDAT   1   06-JUN-12 4EAL    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.    2.51 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) : 2.51                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 24.97                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.070                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 96.0                           
REMARK   3   NUMBER OF REFLECTIONS             : 17779                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.235                           
REMARK   3   R VALUE            (WORKING SET) : 0.232                           
REMARK   3   FREE R VALUE                     : 0.277                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.970                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 884                             
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 24.9680 -  4.5462    0.98     2963   156  0.2188 0.2776        
REMARK   3     2  4.5462 -  3.6119    0.99     2932   165  0.1997 0.2194        
REMARK   3     3  3.6119 -  3.1564    0.99     2874   170  0.2383 0.3077        
REMARK   3     4  3.1564 -  2.8682    0.97     2836   127  0.2537 0.2861        
REMARK   3     5  2.8682 -  2.6629    0.94     2721   137  0.2647 0.3175        
REMARK   3     6  2.6629 -  2.5061    0.89     2569   129  0.2723 0.2997        
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              : 0.34                                          
REMARK   3   B_SOL              : 62.15                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.400            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 28.890           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 58.77                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 75.92                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -1.86840                                             
REMARK   3    B22 (A**2) : 1.11130                                              
REMARK   3    B33 (A**2) : 0.75710                                              
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : -9.12710                                             
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      :  0.003           3505                                  
REMARK   3   ANGLE     :  0.729           4754                                  
REMARK   3   CHIRALITY :  0.046            566                                  
REMARK   3   PLANARITY :  0.002            575                                  
REMARK   3   DIHEDRAL  : 16.538           1280                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 18                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 396:403)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  26.3452 394.3026 -22.8760              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4418 T22:   1.0472                                     
REMARK   3      T33:   0.9614 T12:  -0.0252                                     
REMARK   3      T13:  -0.2307 T23:   0.3152                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2752 L22:   0.8817                                     
REMARK   3      L33:   1.2560 L12:  -0.1350                                     
REMARK   3      L13:  -0.8925 L23:  -0.1342                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3333 S12:   0.6355 S13:  -0.7548                       
REMARK   3      S21:  -0.0510 S22:  -0.4902 S23:   0.2804                       
REMARK   3      S31:  -0.1053 S32:   1.1566 S33:   0.7069                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 404:408)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  40.8558 399.6048 -15.4670              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6855 T22:   2.3058                                     
REMARK   3      T33:   0.9693 T12:  -0.0294                                     
REMARK   3      T13:  -0.2768 T23:   1.0319                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3168 L22:   0.0066                                     
REMARK   3      L33:   0.0512 L12:  -0.0372                                     
REMARK   3      L13:   0.1356 L23:  -0.0252                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0179 S12:  -0.2916 S13:  -0.0066                       
REMARK   3      S21:  -0.1322 S22:   0.2242 S23:  -0.0719                       
REMARK   3      S31:  -0.0874 S32:   0.2357 S33:  -0.0302                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 409:417)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  33.4782 404.1052 -11.2575              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5251 T22:   1.5570                                     
REMARK   3      T33:   1.2704 T12:  -0.2047                                     
REMARK   3      T13:  -0.3730 T23:   0.5577                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2226 L22:   0.1616                                     
REMARK   3      L33:   0.7603 L12:   0.4500                                     
REMARK   3      L13:  -1.5374 L23:  -0.1453                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1924 S12:  -1.0478 S13:   1.3754                       
REMARK   3      S21:  -0.2238 S22:   0.2851 S23:  -0.1134                       
REMARK   3      S31:  -0.1152 S32:   0.4884 S33:  -0.1084                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 418:431)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  29.6410 401.7625  -4.6297              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8852 T22:   1.6750                                     
REMARK   3      T33:   0.9956 T12:  -0.3104                                     
REMARK   3      T13:  -0.3579 T23:   0.2398                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9576 L22:   2.3617                                     
REMARK   3      L33:   2.8219 L12:   0.8501                                     
REMARK   3      L13:  -1.5111 L23:  -0.7651                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2790 S12:  -1.1524 S13:  -0.0344                       
REMARK   3      S21:  -0.0328 S22:  -0.4204 S23:   0.5463                       
REMARK   3      S31:  -0.4279 S32:   2.0798 S33:   0.0989                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 432:443)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  17.5158 404.8183  -2.2409              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7738 T22:   1.1485                                     
REMARK   3      T33:   0.6914 T12:  -0.1516                                     
REMARK   3      T13:  -0.0894 T23:  -0.1099                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3838 L22:   1.8289                                     
REMARK   3      L33:   2.7941 L12:   1.1413                                     
REMARK   3      L13:  -1.3130 L23:  -1.2447                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5967 S12:  -1.2381 S13:   0.0604                       
REMARK   3      S21:   0.1731 S22:  -0.5480 S23:  -0.0440                       
REMARK   3      S31:  -0.4029 S32:   1.1325 S33:  -0.0704                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 444:453)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  25.7087 395.1745  -8.5839              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5523 T22:   1.3138                                     
REMARK   3      T33:   0.4790 T12:  -0.2734                                     
REMARK   3      T13:  -0.1872 T23:   0.4648                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3288 L22:   0.9037                                     
REMARK   3      L33:   2.4665 L12:   0.3662                                     
REMARK   3      L13:   0.7996 L23:  -0.3874                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4353 S12:  -0.8214 S13:  -0.1691                       
REMARK   3      S21:   0.5806 S22:  -0.6414 S23:  -0.2674                       
REMARK   3      S31:  -0.4977 S32:  -0.5475 S33:   0.0932                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 454:461)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  35.7616 391.6132 -21.0745              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5774 T22:   1.4138                                     
REMARK   3      T33:   0.8303 T12:   0.0664                                     
REMARK   3      T13:   0.1212 T23:   0.6499                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8674 L22:   2.0818                                     
REMARK   3      L33:   0.8285 L12:  -0.4262                                     
REMARK   3      L13:   0.6643 L23:  -1.0949                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5284 S12:   0.0705 S13:  -0.2848                       
REMARK   3      S21:   0.0605 S22:  -1.5912 S23:  -1.1924                       
REMARK   3      S31:   0.3743 S32:   1.4677 S33:   1.0086                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 462:548)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  19.2893 400.9454 -12.5462              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3779 T22:   0.5867                                     
REMARK   3      T33:   0.5689 T12:  -0.1246                                     
REMARK   3      T13:  -0.1346 T23:   0.1691                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2814 L22:   3.0057                                     
REMARK   3      L33:   2.0642 L12:   1.9953                                     
REMARK   3      L13:  -1.0671 L23:  -1.9265                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3100 S12:  -1.0398 S13:  -0.2000                       
REMARK   3      S21:   0.6167 S22:  -0.8822 S23:  -0.8145                       
REMARK   3      S31:  -0.2270 S32:   1.0466 S33:   0.5142                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: (CHAIN B AND RESID 202:235)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  27.4021 385.3287 -13.9294              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.3385 T22:   1.1630                                     
REMARK   3      T33:   0.7365 T12:   0.5979                                     
REMARK   3      T13:   0.5122 T23:   1.1180                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0898 L22:   0.8154                                     
REMARK   3      L33:   1.3024 L12:  -0.1697                                     
REMARK   3      L13:  -0.0225 L23:  -0.8305                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3954 S12:   0.1214 S13:  -0.2952                       
REMARK   3      S21:  -0.9248 S22:  -1.4820 S23:   0.6477                       
REMARK   3      S31:   0.6310 S32:   0.5355 S33:   0.6309                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 236:246)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  18.1441 395.7566 -21.7937              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6989 T22:   0.4785                                     
REMARK   3      T33:   0.4999 T12:   0.0275                                     
REMARK   3      T13:  -0.0594 T23:   0.1647                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4444 L22:   0.9302                                     
REMARK   3      L33:   1.7860 L12:   0.1178                                     
REMARK   3      L13:   0.2403 L23:   1.2767                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.6405 S12:   0.4474 S13:  -0.4842                       
REMARK   3      S21:  -0.6231 S22:   0.3854 S23:  -0.0310                       
REMARK   3      S31:   0.0470 S32:   0.1339 S33:  -0.7342                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: (CHAIN B AND RESID 247:270)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  10.5421 394.7141 -16.7450              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4364 T22:   0.4188                                     
REMARK   3      T33:   0.3073 T12:   0.1458                                     
REMARK   3      T13:   0.0221 T23:   0.0535                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6856 L22:   2.1772                                     
REMARK   3      L33:   1.2551 L12:   0.7590                                     
REMARK   3      L13:   0.0397 L23:  -1.6766                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0867 S12:  -0.0093 S13:  -0.0630                       
REMARK   3      S21:   0.4446 S22:  -0.3819 S23:  -0.2792                       
REMARK   3      S31:  -0.4721 S32:   0.0580 S33:   0.1213                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 23:68)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  -3.6642 393.2004 -18.4279              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4301 T22:   0.2823                                     
REMARK   3      T33:   0.2242 T12:   0.0768                                     
REMARK   3      T13:   0.0294 T23:  -0.1159                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6279 L22:   0.7244                                     
REMARK   3      L33:   0.4863 L12:  -0.1802                                     
REMARK   3      L13:   0.2520 L23:  -0.9568                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0202 S12:  -0.1031 S13:  -0.0894                       
REMARK   3      S21:  -0.0197 S22:  -0.1475 S23:  -0.1437                       
REMARK   3      S31:  -0.1423 S32:  -0.1687 S33:   0.1246                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 69:107)                             
REMARK   3    ORIGIN FOR THE GROUP (A):  -1.1739 408.4439 -22.1685              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5256 T22:   0.2382                                     
REMARK   3      T33:   0.3153 T12:   0.0508                                     
REMARK   3      T13:  -0.0449 T23:  -0.1074                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4309 L22:  -0.0378                                     
REMARK   3      L33:   0.2329 L12:  -0.1866                                     
REMARK   3      L13:  -0.1587 L23:  -0.2649                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1307 S12:  -0.0673 S13:   0.2111                       
REMARK   3      S21:  -0.2863 S22:  -0.0646 S23:   0.2039                       
REMARK   3      S31:  -0.2657 S32:  -0.0200 S33:  -0.0267                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 108:179)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  -6.5931 399.9839 -16.0998              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3307 T22:   0.2712                                     
REMARK   3      T33:   0.2794 T12:   0.1060                                     
REMARK   3      T13:   0.0327 T23:  -0.1180                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2574 L22:   1.0491                                     
REMARK   3      L33:   1.5202 L12:  -0.0930                                     
REMARK   3      L13:   0.0537 L23:   0.1543                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1012 S12:  -0.2512 S13:   0.2555                       
REMARK   3      S21:   0.2019 S22:  -0.1836 S23:   0.0597                       
REMARK   3      S31:  -0.2219 S32:  -0.1076 S33:   0.0403                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 180:207)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -27.8748 389.0327 -24.0179              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3915 T22:   0.9934                                     
REMARK   3      T33:   0.5289 T12:  -0.0548                                     
REMARK   3      T13:  -0.0980 T23:  -0.0690                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4086 L22:   2.2634                                     
REMARK   3      L33:   2.9109 L12:   0.5534                                     
REMARK   3      L13:   0.9305 L23:  -1.3958                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2141 S12:  -0.3900 S13:   0.1922                       
REMARK   3      S21:   0.2966 S22:   0.3646 S23:   0.8834                       
REMARK   3      S31:  -0.0225 S32:  -1.5160 S33:  -0.2448                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 208:252)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -16.1058 404.8410 -38.3903              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4715 T22:   0.6182                                     
REMARK   3      T33:   0.4525 T12:   0.2312                                     
REMARK   3      T13:  -0.0306 T23:  -0.1476                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2013 L22:   1.4972                                     
REMARK   3      L33:   1.0166 L12:   0.4867                                     
REMARK   3      L13:  -0.2749 L23:  -0.2400                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1224 S12:   0.5420 S13:  -0.1103                       
REMARK   3      S21:  -0.0059 S22:   0.1036 S23:  -0.1461                       
REMARK   3      S31:  -0.3910 S32:  -0.5297 S33:  -0.0084                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 253:287)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -18.2448 395.5077 -38.7672              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3332 T22:   0.6641                                     
REMARK   3      T33:   0.6089 T12:   0.0318                                     
REMARK   3      T13:  -0.1031 T23:  -0.0504                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9634 L22:   1.1440                                     
REMARK   3      L33:   2.7078 L12:   1.4686                                     
REMARK   3      L13:  -1.4449 L23:  -0.7821                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0900 S12:   0.5783 S13:  -0.6013                       
REMARK   3      S21:  -0.1544 S22:  -0.0556 S23:  -0.4327                       
REMARK   3      S31:   0.0395 S32:  -0.7949 S33:   0.0624                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: (CHAIN C AND RESID 288:324)                            
REMARK   3    ORIGIN FOR THE GROUP (A): -22.8112 390.8084 -28.1721              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2310 T22:   0.5543                                     
REMARK   3      T33:   0.5101 T12:  -0.0059                                     
REMARK   3      T13:  -0.0472 T23:  -0.1261                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3926 L22:   0.5064                                     
REMARK   3      L33:   0.8030 L12:   0.0903                                     
REMARK   3      L13:  -0.3843 L23:  -0.2667                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1607 S12:   0.4999 S13:   0.2978                       
REMARK   3      S21:  -0.0827 S22:   0.1310 S23:   0.0207                       
REMARK   3      S31:   0.0998 S32:  -0.7133 S33:   0.0181                       
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 4EAL COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 10-APR-12.                  
REMARK 100 THE DEPOSITION ID IS D_1000071377.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 03-JUL-10                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 5.9                                
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) : NULL                               
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   : 18431                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.500                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.6                               
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) : 2.50                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.54                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.4                               
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 2V8Q                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 46.82                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.31                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M MES PH5.9, 18% IPP, PH 5.9, VAPOR   
REMARK 280  DIFFUSION, HANGING DROP, TEMPERATURE 298K                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y,-Z                                                 
REMARK 290       3555   X+1/2,Y+1/2,Z                                           
REMARK 290       4555   -X+1/2,Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   3  1.000000  0.000000  0.000000       87.92500            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       20.25150            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000       87.92500            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       20.25150            
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: 5910 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 20520 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -32.0 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 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375      HOH B 306  LIES ON A SPECIAL POSITION.                          
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     ALA A   394                                                      
REMARK 465     LYS A   395                                                      
REMARK 465     ASP A   522                                                      
REMARK 465     GLY A   523                                                      
REMARK 465     GLY A   524                                                      
REMARK 465     GLY A   525                                                      
REMARK 465     GLY A   526                                                      
REMARK 465     GLY A   527                                                      
REMARK 465     GLY A   528                                                      
REMARK 465     MET B   199                                                      
REMARK 465     PHE B   200                                                      
REMARK 465     LYS B   201                                                      
REMARK 465     LEU B   206                                                      
REMARK 465     PRO B   207                                                      
REMARK 465     PRO B   208                                                      
REMARK 465     HIS B   209                                                      
REMARK 465     LEU B   210                                                      
REMARK 465     LEU B   211                                                      
REMARK 465     GLN B   212                                                      
REMARK 465     VAL B   213                                                      
REMARK 465     ILE B   214                                                      
REMARK 465     LEU B   215                                                      
REMARK 465     ASN B   216                                                      
REMARK 465     LYS B   217                                                      
REMARK 465     ASP B   218                                                      
REMARK 465     THR B   219                                                      
REMARK 465     GLY B   220                                                      
REMARK 465     ILE B   221                                                      
REMARK 465     SER B   222                                                      
REMARK 465     CYS B   223                                                      
REMARK 465     ASP B   224                                                      
REMARK 465     PRO B   225                                                      
REMARK 465     ALA B   226                                                      
REMARK 465     LEU B   227                                                      
REMARK 465     LEU B   228                                                      
REMARK 465     PRO B   229                                                      
REMARK 465     GLU B   230                                                      
REMARK 465     PRO B   231                                                      
REMARK 465     ASN B   232                                                      
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     TYR C    97                                                      
REMARK 465     TYR C    98                                                      
REMARK 465     LYS C    99                                                      
REMARK 465     SER C   100                                                      
REMARK 465     ALA C   101                                                      
REMARK 465     LEU C   102                                                      
REMARK 465     VAL C   103                                                      
REMARK 465     GLN C   104                                                      
REMARK 465     ILE C   105                                                      
REMARK 465     TYR C   106                                                      
REMARK 465     TYR C   254                                                      
REMARK 465     ASN C   255                                                      
REMARK 465     HIS C   270                                                      
REMARK 465     TYR C   271                                                      
REMARK 465     PHE C   272                                                      
REMARK 465     GLU C   273                                                      
REMARK 465     GLY C   274                                                      
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: 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    THR C   253     N    ASN C   256              1.86            
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    SER A 404     -155.05    -69.46                                   
REMARK 500    VAL A 426       99.87    -68.29                                   
REMARK 500    ARG A 436      111.09   -167.84                                   
REMARK 500    ASN B 237       -2.85     73.61                                   
REMARK 500    LYS B 258     -121.11     47.83                                   
REMARK 500    SER C  26       24.49   -145.74                                   
REMARK 500    GLU C 181       25.47   -143.76                                   
REMARK 500    PRO C 183      121.65    -34.73                                   
REMARK 500    ASN C 202       10.84     59.19                                   
REMARK 500    ASP C 231     -152.34    -84.10                                   
REMARK 500    LEU C 257      -20.95    111.59                                   
REMARK 500    VAL C 322      -60.03    -94.41                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH A 606        DISTANCE =  8.47 ANGSTROMS                       
REMARK 525    HOH A 607        DISTANCE =  6.10 ANGSTROMS                       
REMARK 525    HOH C 541        DISTANCE =  6.41 ANGSTROMS                       
REMARK 525    HOH C 544        DISTANCE =  8.34 ANGSTROMS                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE AMP C 401                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE AMP C 402                 
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: 4EAJ   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4EAK   RELATED DB: PDB                                   
DBREF  4EAL A  394   522  UNP    P54645   AAPK1_RAT      405    479             
DBREF  4EAL A  529   548  UNP    P54645   AAPK1_RAT      540    559             
DBREF  4EAL B  200   270  UNP    P80386   AAKB1_RAT      200    270             
DBREF  4EAL C    1   330  UNP    P80385   AAKG1_RAT        1    330             
SEQADV 4EAL GLY A  389  UNP  P54645              EXPRESSION TAG                 
SEQADV 4EAL PRO A  390  UNP  P54645              EXPRESSION TAG                 
SEQADV 4EAL HIS A  391  UNP  P54645              EXPRESSION TAG                 
SEQADV 4EAL MET A  392  UNP  P54645              EXPRESSION TAG                 
SEQADV 4EAL GLY A  393  UNP  P54645              EXPRESSION TAG                 
SEQADV 4EAL GLY A  523  UNP  P54645              LINKER                         
SEQADV 4EAL GLY A  524  UNP  P54645              LINKER                         
SEQADV 4EAL GLY A  525  UNP  P54645              LINKER                         
SEQADV 4EAL GLY A  526  UNP  P54645              LINKER                         
SEQADV 4EAL GLY A  527  UNP  P54645              LINKER                         
SEQADV 4EAL GLY A  528  UNP  P54645              LINKER                         
SEQADV 4EAL MET B  199  UNP  P80386              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   72  MET PHE LYS ALA PRO PRO ILE LEU PRO PRO HIS LEU LEU          
SEQRES   2 B   72  GLN VAL ILE LEU ASN LYS ASP THR GLY ILE SER CYS ASP          
SEQRES   3 B   72  PRO ALA LEU LEU PRO GLU PRO ASN HIS VAL MET LEU ASN          
SEQRES   4 B   72  HIS LEU TYR ALA LEU SER ILE LYS ASP GLY VAL MET VAL          
SEQRES   5 B   72  LEU SER ALA THR HIS ARG TYR LYS LYS LYS TYR VAL THR          
SEQRES   6 B   72  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    AMP  C 401      23                                                       
HET    AMP  C 402      23                                                       
HETNAM     AMP ADENOSINE MONOPHOSPHATE                                          
FORMUL   4  AMP    2(C10 H14 N5 O7 P)                                           
FORMUL   6  HOH   *58(H2 O)                                                     
HELIX    1   1 ARG A  405  LEU A  420  1                                  16    
HELIX    2   2 SER A  530  GLN A  548  1                                  19    
HELIX    3   3 SER C   23  SER C   25  5                                   3    
HELIX    4   4 SER C   26  SER C   34  1                                   9    
HELIX    5   5 ARG C   36  ILE C   41  5                                   6    
HELIX    6   6 GLN C   55  GLY C   67  1                                  13    
HELIX    7   7 THR C   86  ARG C   96  1                                  11    
HELIX    8   8 LYS C  112  TYR C  120  1                                   9    
HELIX    9   9 LEU C  121  LYS C  126  1                                   6    
HELIX   10  10 SER C  136  ASN C  147  1                                  12    
HELIX   11  11 THR C  167  THR C  180  1                                  14    
HELIX   12  12 PRO C  185  SER C  189  5                                   5    
HELIX   13  13 SER C  191  GLN C  196  1                                   6    
HELIX   14  14 PRO C  211  ARG C  223  1                                  13    
HELIX   15  15 LYS C  242  LYS C  252  1                                  11    
HELIX   16  16 SER C  260  GLN C  266  1                                   7    
HELIX   17  17 THR C  283  ALA C  294  1                                  12    
HELIX   18  18 LEU C  314  VAL C  322  1                                   9    
SHEET    1   A 7 HIS A 397  LEU A 398  0                                        
SHEET    2   A 7 TYR B 240  LYS B 245 -1  O  ALA B 241   N  HIS A 397           
SHEET    3   A 7 VAL B 248  TYR B 257 -1  O  SER B 252   N  TYR B 240           
SHEET    4   A 7 LYS B 260  PRO B 269 -1  O  LEU B 266   N  LEU B 251           
SHEET    5   A 7 SER C  44  ASP C  51  1  O  VAL C  49   N  LEU B 265           
SHEET    6   A 7 ALA C  71  ASP C  75  1  O  TRP C  74   N  PHE C  50           
SHEET    7   A 7 SER C  80  LEU C  85 -1  O  SER C  80   N  ASP C  75           
SHEET    1   B 3 ILE A 400  SER A 402  0                                        
SHEET    2   B 3 TYR A 459  SER A 465 -1  O  LEU A 461   N  ILE A 400           
SHEET    3   B 3 MET A 447  GLN A 453 -1  N  TYR A 452   O  LEU A 460           
SHEET    1   C 2 GLU A 423  TRP A 424  0                                        
SHEET    2   C 2 VAL A 434  ARG A 435 -1  O  ARG A 435   N  GLU A 423           
SHEET    1   D 2 LEU C 152  ILE C 155  0                                        
SHEET    2   D 2 THR C 162  LEU C 166 -1  O  LEU C 163   N  VAL C 154           
SHEET    1   E 3 VAL C 206  ARG C 207  0                                        
SHEET    2   E 3 ALA C 226  VAL C 230  1  O  VAL C 230   N  VAL C 206           
SHEET    3   E 3 VAL C 236  SER C 241 -1  O  TYR C 240   N  LEU C 227           
SHEET    1   F 3 LYS C 277  CYS C 278  0                                        
SHEET    2   F 3 ARG C 298  VAL C 302  1  O  VAL C 302   N  CYS C 278           
SHEET    3   F 3 VAL C 308  SER C 313 -1  O  VAL C 312   N  LEU C 299           
SITE     1 AC1 11 MET C  84  THR C  86  THR C  88  ASP C  89                    
SITE     2 AC1 11 GLN C 122  PRO C 127  VAL C 129  ILE C 149                    
SITE     3 AC1 11 HIS C 150  ARG C 151  PRO C 153                               
SITE     1 AC2 12 HIS C 150  THR C 199  ILE C 203  ALA C 204                    
SITE     2 AC2 12 VAL C 224  SER C 225  ALA C 226  PRO C 228                    
SITE     3 AC2 12 ILE C 311  SER C 313  SER C 315  ASP C 316                    
CRYST1  175.850   40.503   77.738  90.00 105.53  90.00 C 1 2 1       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      0.005687  0.000000  0.001580        0.00000                         
SCALE2      0.000000  0.024690  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.013351        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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