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Database: PDB
Entry: 4FVP
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HEADER    TRANSFERASE                             29-JUN-12   4FVP              
TITLE     CRYSTAL STRUCTURE OF THE JAK2 PSEUDOKINASE DOMAIN (APO FORM)          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: TYROSINE-PROTEIN KINASE JAK2;                              
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: JAK2 PSEUDOKINASE DOMAIN, UNP RESIDUES 536-812;            
COMPND   5 SYNONYM: JANUS KINASE 2, JAK-2;                                      
COMPND   6 EC: 2.7.10.2;                                                        
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: JAK2;                                                          
SOURCE   6 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA;                            
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 7108;                                       
SOURCE   8 EXPRESSION_SYSTEM_CELL_LINE: SF9;                                    
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: BACULOVIRUS;                          
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PFASTBAC                                  
KEYWDS    JANUS PROTEIN KINASE, PSEUDOKINASE, ATP BINDING, PHOSPHORYLATION,     
KEYWDS   2 TRANSFERASE                                                          
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    R.M.BANDARANAYAKE,S.R.HUBBARD                                         
REVDAT   3   22-AUG-12 4FVP    1       JRNL                                     
REVDAT   2   08-AUG-12 4FVP    1       JRNL                                     
REVDAT   1   25-JUL-12 4FVP    0                                                
JRNL        AUTH   R.M.BANDARANAYAKE,D.UNGUREANU,Y.SHAN,D.E.SHAW,               
JRNL        AUTH 2 O.SILVENNOINEN,S.R.HUBBARD                                   
JRNL        TITL   CRYSTAL STRUCTURES OF THE JAK2 PSEUDOKINASE DOMAIN AND THE   
JRNL        TITL 2 PATHOGENIC MUTANT V617F.                                     
JRNL        REF    NAT.STRUCT.MOL.BIOL.          V.  19   754 2012              
JRNL        REFN                   ISSN 1545-9993                               
JRNL        PMID   22820988                                                     
JRNL        DOI    10.1038/NSMB.2348                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.01 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.6.0117                                      
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.01                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 33.60                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 19090                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.181                           
REMARK   3   R VALUE            (WORKING SET) : 0.180                           
REMARK   3   FREE R VALUE                     : 0.212                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.100                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 981                             
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.01                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.06                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 1261                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 97.81                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2010                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 79                           
REMARK   3   BIN FREE R VALUE                    : 0.2460                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 2140                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 12                                      
REMARK   3   SOLVENT ATOMS            : 154                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 25.65                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 1.46000                                              
REMARK   3    B22 (A**2) : -0.48000                                             
REMARK   3    B33 (A**2) : -0.96000                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.02000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.188         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.155         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.097         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 6.646         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.953                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.935                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  2198 ; 0.007 ; 0.020       
REMARK   3   BOND LENGTHS OTHERS               (A):  1459 ; 0.006 ; 0.020       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  2983 ; 1.198 ; 1.964       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  3582 ; 0.799 ; 3.000       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   273 ; 5.856 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   101 ;38.583 ;25.248       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   367 ;13.190 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):     8 ;19.222 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   338 ; 0.069 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  2441 ; 0.005 ; 0.021       
REMARK   3   GENERAL PLANES OTHERS             (A):   423 ; 0.001 ; 0.020       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 20                                         
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   536        A   547                          
REMARK   3    ORIGIN FOR THE GROUP (A):   0.3650  27.9550  26.3100              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1093 T22:   0.0609                                     
REMARK   3      T33:   0.0643 T12:  -0.0430                                     
REMARK   3      T13:  -0.0273 T23:  -0.0098                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.4240 L22:   5.4224                                     
REMARK   3      L33:   7.1221 L12:  -0.2761                                     
REMARK   3      L13:  -3.5804 L23:   0.1994                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0258 S12:  -0.0642 S13:   0.4238                       
REMARK   3      S21:  -0.0383 S22:   0.0253 S23:  -0.3704                       
REMARK   3      S31:  -0.4419 S32:   0.4236 S33:  -0.0510                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   548        A   558                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -6.0630  12.1320  28.6580              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1578 T22:   0.0621                                     
REMARK   3      T33:   0.1025 T12:  -0.0001                                     
REMARK   3      T13:   0.0113 T23:  -0.0002                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  12.9081 L22:   5.3874                                     
REMARK   3      L33:   2.4434 L12:  -7.3248                                     
REMARK   3      L13:  -2.1211 L23:   2.0009                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1427 S12:  -0.0261 S13:  -0.9363                       
REMARK   3      S21:   0.1772 S22:   0.0258 S23:   0.4224                       
REMARK   3      S31:   0.0979 S32:   0.0741 S33:   0.1169                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   559        A   573                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.1860  30.9350  20.7250              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1764 T22:   0.0781                                     
REMARK   3      T33:   0.1015 T12:   0.0007                                     
REMARK   3      T13:   0.0313 T23:  -0.0091                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6264 L22:  14.9817                                     
REMARK   3      L33:   3.4297 L12:   1.4536                                     
REMARK   3      L13:  -0.7958 L23:  -7.0950                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0723 S12:   0.0271 S13:   0.0858                       
REMARK   3      S21:  -0.2517 S22:   0.1532 S23:   0.0172                       
REMARK   3      S31:   0.0760 S32:  -0.1046 S33:  -0.0809                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   574        A   584                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.8050  22.2330  24.5250              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0983 T22:   0.0473                                     
REMARK   3      T33:   0.0265 T12:  -0.0320                                     
REMARK   3      T13:   0.0302 T23:  -0.0066                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.7577 L22:  10.0458                                     
REMARK   3      L33:   4.8446 L12:  -3.8158                                     
REMARK   3      L13:   3.1339 L23:  -4.3747                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0570 S12:   0.0053 S13:  -0.1338                       
REMARK   3      S21:  -0.0315 S22:   0.1576 S23:   0.3392                       
REMARK   3      S31:  -0.1614 S32:   0.0293 S33:  -0.1005                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   585        A   593                          
REMARK   3    ORIGIN FOR THE GROUP (A):   8.5420  11.9930  30.2950              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0855 T22:   0.1391                                     
REMARK   3      T33:   0.0610 T12:  -0.0133                                     
REMARK   3      T13:  -0.0640 T23:  -0.0148                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.0194 L22:   6.9925                                     
REMARK   3      L33:  15.3296 L12:  -3.7940                                     
REMARK   3      L13:  -2.9879 L23:   2.1798                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0825 S12:  -0.6655 S13:   0.0206                       
REMARK   3      S21:   0.3418 S22:   0.1262 S23:  -0.1965                       
REMARK   3      S31:   0.0567 S32:   0.7550 S33:  -0.0436                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   594        A   604                          
REMARK   3    ORIGIN FOR THE GROUP (A):   7.0610  17.3000  16.1380              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1606 T22:   0.1692                                     
REMARK   3      T33:   0.2066 T12:  -0.0330                                     
REMARK   3      T13:   0.0152 T23:  -0.0543                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.8453 L22:   5.0646                                     
REMARK   3      L33:  30.4134 L12:  -0.5477                                     
REMARK   3      L13:   2.0440 L23:  -9.6555                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1679 S12:   0.2824 S13:  -0.1463                       
REMARK   3      S21:  -0.0607 S22:   0.2453 S23:  -0.2828                       
REMARK   3      S31:  -0.2230 S32:   0.7113 S33:  -0.4132                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   605        A   621                          
REMARK   3    ORIGIN FOR THE GROUP (A):   0.3390  21.0900  17.9920              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1141 T22:   0.0929                                     
REMARK   3      T33:   0.0805 T12:  -0.0106                                     
REMARK   3      T13:   0.0112 T23:   0.0061                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8629 L22:   1.7460                                     
REMARK   3      L33:   2.0783 L12:   0.3728                                     
REMARK   3      L13:   0.5606 L23:   1.0246                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0056 S12:  -0.1384 S13:   0.1125                       
REMARK   3      S21:   0.0494 S22:  -0.0250 S23:  -0.0911                       
REMARK   3      S31:  -0.1127 S32:   0.0329 S33:   0.0305                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   622        A   629                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -3.9090  19.9140  21.4780              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1615 T22:   0.0490                                     
REMARK   3      T33:   0.0742 T12:  -0.0116                                     
REMARK   3      T13:   0.0208 T23:   0.0162                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.8481 L22:   0.9147                                     
REMARK   3      L33:   8.0353 L12:  -0.7286                                     
REMARK   3      L13:   6.0790 L23:   0.1412                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1201 S12:   0.0375 S13:  -0.1820                       
REMARK   3      S21:  -0.0684 S22:  -0.0867 S23:  -0.1271                       
REMARK   3      S31:   0.2063 S32:   0.0853 S33:  -0.0335                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   630        A   640                          
REMARK   3    ORIGIN FOR THE GROUP (A): -15.3100   8.8770  15.6140              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0717 T22:   0.0890                                     
REMARK   3      T33:   0.0673 T12:   0.0102                                     
REMARK   3      T13:   0.0574 T23:  -0.0169                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  10.2383 L22:   8.3690                                     
REMARK   3      L33:   5.3469 L12:  -2.7233                                     
REMARK   3      L13:   0.7994 L23:  -1.0713                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1287 S12:  -0.1065 S13:  -0.0217                       
REMARK   3      S21:   0.1103 S22:  -0.1454 S23:   0.2959                       
REMARK   3      S31:   0.0367 S32:  -0.3143 S33:   0.2741                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   641        A   646                          
REMARK   3    ORIGIN FOR THE GROUP (A): -21.4630   2.6420   9.6190              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2821 T22:   1.2110                                     
REMARK   3      T33:   0.6200 T12:  -0.2040                                     
REMARK   3      T13:   0.0314 T23:  -0.3165                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.9258 L22:   0.5786                                     
REMARK   3      L33:  86.6141 L12:   1.6616                                     
REMARK   3      L13: -13.7585 L23:  -5.5337                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4390 S12:  -1.0963 S13:   0.5531                       
REMARK   3      S21:   0.1001 S22:  -0.2603 S23:   0.1760                       
REMARK   3      S31:   0.4906 S32:  -3.4403 S33:  -0.1788                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   647        A   654                          
REMARK   3    ORIGIN FOR THE GROUP (A): -14.2110   4.7830   2.6020              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1289 T22:   0.1341                                     
REMARK   3      T33:   0.0591 T12:  -0.0107                                     
REMARK   3      T13:  -0.0394 T23:  -0.0167                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  15.1682 L22:   6.0646                                     
REMARK   3      L33:   5.3187 L12:   1.5038                                     
REMARK   3      L13:   0.7101 L23:  -0.7004                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1021 S12:   0.4519 S13:  -0.0133                       
REMARK   3      S21:  -0.5026 S22:  -0.1448 S23:   0.4886                       
REMARK   3      S31:   0.1829 S32:  -0.3198 S33:   0.0427                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   655        A   669                          
REMARK   3    ORIGIN FOR THE GROUP (A):   2.3330  10.4030   3.0390              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0938 T22:   0.0725                                     
REMARK   3      T33:   0.0349 T12:   0.0125                                     
REMARK   3      T13:   0.0221 T23:   0.0170                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.2661 L22:   2.4364                                     
REMARK   3      L33:   1.7347 L12:   0.5784                                     
REMARK   3      L13:   1.3498 L23:  -0.7595                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0408 S12:   0.1596 S13:   0.1565                       
REMARK   3      S21:  -0.1882 S22:  -0.1057 S23:  -0.1665                       
REMARK   3      S31:   0.0480 S32:   0.1060 S33:   0.0649                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   670        A   689                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -9.6160  10.7160  10.5630              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0894 T22:   0.0591                                     
REMARK   3      T33:   0.0271 T12:   0.0036                                     
REMARK   3      T13:   0.0242 T23:  -0.0137                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.9564 L22:   3.0190                                     
REMARK   3      L33:   0.8622 L12:  -2.2780                                     
REMARK   3      L13:   0.7319 L23:  -0.2986                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0754 S12:   0.2635 S13:  -0.0198                       
REMARK   3      S21:  -0.0049 S22:  -0.0623 S23:   0.2058                       
REMARK   3      S31:  -0.0768 S32:  -0.0202 S33:  -0.0131                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   690        A   696                          
REMARK   3    ORIGIN FOR THE GROUP (A): -13.1900  14.5290   4.8560              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1171 T22:   0.1176                                     
REMARK   3      T33:   0.0743 T12:   0.0327                                     
REMARK   3      T13:  -0.0177 T23:   0.0211                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  13.8376 L22:   2.4309                                     
REMARK   3      L33:   7.4561 L12:   4.8985                                     
REMARK   3      L13:   3.4115 L23:   1.1728                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4007 S12:   0.7662 S13:   0.3159                       
REMARK   3      S21:  -0.2405 S22:   0.2370 S23:   0.2953                       
REMARK   3      S31:  -0.6169 S32:  -0.2877 S33:   0.1637                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   697        A   731                          
REMARK   3    ORIGIN FOR THE GROUP (A):   6.3430  -0.0500  19.0280              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0642 T22:   0.0955                                     
REMARK   3      T33:   0.0459 T12:   0.0260                                     
REMARK   3      T13:  -0.0175 T23:   0.0048                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5871 L22:   2.0462                                     
REMARK   3      L33:   2.0611 L12:  -0.8029                                     
REMARK   3      L13:   0.4388 L23:  -0.7408                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1040 S12:  -0.0620 S13:   0.0406                       
REMARK   3      S21:   0.1714 S22:   0.0073 S23:  -0.2505                       
REMARK   3      S31:   0.0463 S32:   0.2109 S33:   0.0967                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   732        A   760                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.0160  -3.4640  13.2900              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0932 T22:   0.0438                                     
REMARK   3      T33:   0.0381 T12:   0.0050                                     
REMARK   3      T13:   0.0030 T23:  -0.0110                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0731 L22:   1.3324                                     
REMARK   3      L33:   1.9368 L12:   0.2751                                     
REMARK   3      L13:  -0.9727 L23:  -0.5613                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0307 S12:   0.0099 S13:  -0.0257                       
REMARK   3      S21:   0.0435 S22:  -0.0492 S23:   0.0360                       
REMARK   3      S31:   0.0108 S32:  -0.0004 S33:   0.0799                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   761        A   771                          
REMARK   3    ORIGIN FOR THE GROUP (A):   2.2300 -14.4640  16.3320              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1317 T22:   0.0395                                     
REMARK   3      T33:   0.1010 T12:   0.0543                                     
REMARK   3      T13:   0.0503 T23:   0.0379                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.1969 L22:   5.1337                                     
REMARK   3      L33:   9.9867 L12:  -1.4209                                     
REMARK   3      L13:  -0.7693 L23:  -2.7678                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1509 S12:  -0.1542 S13:  -0.3097                       
REMARK   3      S21:  -0.0780 S22:  -0.1735 S23:  -0.1285                       
REMARK   3      S31:   0.7263 S32:   0.5680 S33:   0.3244                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   772        A   784                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -9.5010  -7.4020   4.5500              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1382 T22:   0.0801                                     
REMARK   3      T33:   0.0915 T12:   0.0033                                     
REMARK   3      T13:   0.0083 T23:  -0.0327                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9647 L22:   2.9798                                     
REMARK   3      L33:   4.6855 L12:   0.4818                                     
REMARK   3      L13:  -0.3756 L23:  -0.5792                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0179 S12:   0.0432 S13:  -0.0657                       
REMARK   3      S21:  -0.1258 S22:  -0.0765 S23:   0.3130                       
REMARK   3      S31:   0.1152 S32:  -0.2914 S33:   0.0586                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   785        A   802                          
REMARK   3    ORIGIN FOR THE GROUP (A):   3.9950  -3.8560   2.3360              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1095 T22:   0.0826                                     
REMARK   3      T33:   0.0221 T12:  -0.0012                                     
REMARK   3      T13:   0.0156 T23:  -0.0057                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3437 L22:   4.2039                                     
REMARK   3      L33:   3.9119 L12:  -1.8770                                     
REMARK   3      L13:   1.1928 L23:  -1.4550                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0595 S12:   0.1814 S13:  -0.0662                       
REMARK   3      S21:  -0.1092 S22:  -0.1051 S23:  -0.1696                       
REMARK   3      S31:   0.0422 S32:   0.2277 S33:   0.0456                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   803        A   809                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -8.0580   1.2440  -6.6880              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2469 T22:   0.1904                                     
REMARK   3      T33:   0.0982 T12:   0.0500                                     
REMARK   3      T13:  -0.1279 T23:  -0.0551                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  19.6837 L22:  24.2017                                     
REMARK   3      L33:  24.4834 L12:  -1.1096                                     
REMARK   3      L13:   0.5046 L23:   1.3691                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3517 S12:   1.3677 S13:  -0.6296                       
REMARK   3      S21:  -0.9273 S22:  -0.0529 S23:   1.1189                       
REMARK   3      S31:   0.5082 S32:  -0.5897 S33:  -0.2987                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : MASK                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.20                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING   
REMARK   3  POSITIONS U VALUES : WITH TLS ADDED                                 
REMARK   4                                                                      
REMARK   4 4FVP COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-JUL-12.                  
REMARK 100 THE RCSB ID CODE IS RCSB073414.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 27-MAY-11                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 8.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU MICROMAX-007                
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.54                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : OSMIC BLUE                         
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU RAXIS IV++                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DTREK                              
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 19131                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.010                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.8                               
REMARK 200  DATA REDUNDANCY                : 3.700                              
REMARK 200  R MERGE                    (I) : 0.03900                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 23.5000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.01                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.08                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.6                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.50                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.12100                            
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: MOLREP                                                
REMARK 200 STARTING MODEL: PDB ENTRY 1M14                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 43.38                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.17                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 100 MM TRIS/HCL, PEG 4000, PH 8.0,       
REMARK 280  VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,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       28.57150            
REMARK 290   SMTRY3   2  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: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
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     THR A   810                                                      
REMARK 465     PRO A   811                                                      
REMARK 465     ASP A   812                                                      
REMARK 465     LEU A   813                                                      
REMARK 465     VAL A   814                                                      
REMARK 465     PRO A   815                                                      
REMARK 465     ARG A   816                                                      
REMARK 465     GLY A   817                                                      
REMARK 465     SER A   818                                                      
REMARK 465     HIS A   819                                                      
REMARK 465     HIS A   820                                                      
REMARK 465     HIS A   821                                                      
REMARK 465     HIS A   822                                                      
REMARK 465     HIS A   823                                                      
REMARK 465     HIS A   824                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     LYS A 558    CG   CD   CE   NZ                                   
REMARK 470     ARG A 565    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG A 588    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A 639    CG   CD   CE   NZ                                   
REMARK 470     LYS A 640    CG   CD   CE   NZ                                   
REMARK 470     ASN A 643    CG   OD1  ND2                                       
REMARK 470     ARG A 687    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A 688    CG   CD   CE   NZ                                   
REMARK 470     LYS A 709    CG   CD   CE   NZ                                   
REMARK 470     LYS A 728    CG   CD   CE   NZ                                   
REMARK 470     GLN A 760    CG   CD   OE1  NE2                                  
REMARK 470     LYS A 776    CG   CD   CE   NZ                                   
REMARK 470     ARG A 799    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     PHE A 809    CG   CD1  CD2  CE1  CE2  CZ                         
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    ASN A 548     -137.68   -117.17                                   
REMARK 500    ASN A 673       56.25   -154.39                                   
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 A1135        DISTANCE =  5.02 ANGSTROMS                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 901                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 902                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4FVQ   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4FVR   RELATED DB: PDB                                   
DBREF  4FVP A  536   812  UNP    O60674   JAK2_HUMAN     536    812             
SEQADV 4FVP ALA A  659  UNP  O60674    TRP   659 ENGINEERED MUTATION            
SEQADV 4FVP ALA A  777  UNP  O60674    TRP   777 ENGINEERED MUTATION            
SEQADV 4FVP HIS A  794  UNP  O60674    PHE   794 ENGINEERED MUTATION            
SEQADV 4FVP LEU A  813  UNP  O60674              EXPRESSION TAG                 
SEQADV 4FVP VAL A  814  UNP  O60674              EXPRESSION TAG                 
SEQADV 4FVP PRO A  815  UNP  O60674              EXPRESSION TAG                 
SEQADV 4FVP ARG A  816  UNP  O60674              EXPRESSION TAG                 
SEQADV 4FVP GLY A  817  UNP  O60674              EXPRESSION TAG                 
SEQADV 4FVP SER A  818  UNP  O60674              EXPRESSION TAG                 
SEQADV 4FVP HIS A  819  UNP  O60674              EXPRESSION TAG                 
SEQADV 4FVP HIS A  820  UNP  O60674              EXPRESSION TAG                 
SEQADV 4FVP HIS A  821  UNP  O60674              EXPRESSION TAG                 
SEQADV 4FVP HIS A  822  UNP  O60674              EXPRESSION TAG                 
SEQADV 4FVP HIS A  823  UNP  O60674              EXPRESSION TAG                 
SEQADV 4FVP HIS A  824  UNP  O60674              EXPRESSION TAG                 
SEQRES   1 A  289  VAL PHE HIS LYS ILE ARG ASN GLU ASP LEU ILE PHE ASN          
SEQRES   2 A  289  GLU SER LEU GLY GLN GLY THR PHE THR LYS ILE PHE LYS          
SEQRES   3 A  289  GLY VAL ARG ARG GLU VAL GLY ASP TYR GLY GLN LEU HIS          
SEQRES   4 A  289  GLU THR GLU VAL LEU LEU LYS VAL LEU ASP LYS ALA HIS          
SEQRES   5 A  289  ARG ASN TYR SER GLU SER PHE PHE GLU ALA ALA SER MET          
SEQRES   6 A  289  MET SER LYS LEU SER HIS LYS HIS LEU VAL LEU ASN TYR          
SEQRES   7 A  289  GLY VAL CYS VAL CYS GLY ASP GLU ASN ILE LEU VAL GLN          
SEQRES   8 A  289  GLU PHE VAL LYS PHE GLY SER LEU ASP THR TYR LEU LYS          
SEQRES   9 A  289  LYS ASN LYS ASN CYS ILE ASN ILE LEU TRP LYS LEU GLU          
SEQRES  10 A  289  VAL ALA LYS GLN LEU ALA ALA ALA MET HIS PHE LEU GLU          
SEQRES  11 A  289  GLU ASN THR LEU ILE HIS GLY ASN VAL CYS ALA LYS ASN          
SEQRES  12 A  289  ILE LEU LEU ILE ARG GLU GLU ASP ARG LYS THR GLY ASN          
SEQRES  13 A  289  PRO PRO PHE ILE LYS LEU SER ASP PRO GLY ILE SER ILE          
SEQRES  14 A  289  THR VAL LEU PRO LYS ASP ILE LEU GLN GLU ARG ILE PRO          
SEQRES  15 A  289  TRP VAL PRO PRO GLU CYS ILE GLU ASN PRO LYS ASN LEU          
SEQRES  16 A  289  ASN LEU ALA THR ASP LYS TRP SER PHE GLY THR THR LEU          
SEQRES  17 A  289  TRP GLU ILE CYS SER GLY GLY ASP LYS PRO LEU SER ALA          
SEQRES  18 A  289  LEU ASP SER GLN ARG LYS LEU GLN PHE TYR GLU ASP ARG          
SEQRES  19 A  289  HIS GLN LEU PRO ALA PRO LYS ALA ALA GLU LEU ALA ASN          
SEQRES  20 A  289  LEU ILE ASN ASN CYS MET ASP TYR GLU PRO ASP HIS ARG          
SEQRES  21 A  289  PRO SER PHE ARG ALA ILE ILE ARG ASP LEU ASN SER LEU          
SEQRES  22 A  289  PHE THR PRO ASP LEU VAL PRO ARG GLY SER HIS HIS HIS          
SEQRES  23 A  289  HIS HIS HIS                                                  
HET    GOL  A 901       6                                                       
HET    GOL  A 902       6                                                       
HETNAM     GOL GLYCEROL                                                         
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   2  GOL    2(C3 H8 O3)                                                  
FORMUL   4  HOH   *154(H2 O)                                                    
HELIX    1   1 ARG A  541  GLU A  543  5                                   3    
HELIX    2   2 ASP A  569  GLY A  571  5                                   3    
HELIX    3   3 LYS A  585  ASN A  589  5                                   5    
HELIX    4   4 TYR A  590  LYS A  603  1                                  14    
HELIX    5   5 SER A  633  ASN A  641  1                                   9    
HELIX    6   6 LYS A  642  ILE A  645  5                                   4    
HELIX    7   7 ASN A  646  ASN A  667  1                                  22    
HELIX    8   8 CYS A  675  LYS A  677  5                                   3    
HELIX    9   9 PRO A  708  ARG A  715  1                                   8    
HELIX   10  10 PRO A  720  ASN A  726  1                                   7    
HELIX   11  11 PRO A  727  LEU A  730  5                                   4    
HELIX   12  12 ASN A  731  CYS A  747  1                                  17    
HELIX   13  13 ASP A  758  ASP A  768  1                                  11    
HELIX   14  14 LEU A  780  MET A  788  1                                   9    
HELIX   15  15 GLU A  791  ARG A  795  5                                   5    
HELIX   16  16 SER A  797  PHE A  809  1                                  13    
SHEET    1   A 5 LEU A 545  GLY A 554  0                                        
SHEET    2   A 5 THR A 557  VAL A 567 -1  O  ILE A 559   N  LEU A 551           
SHEET    3   A 5 LEU A 573  LEU A 583 -1  O  LEU A 580   N  PHE A 560           
SHEET    4   A 5 ILE A 623  GLU A 627 -1  O  GLN A 626   N  LEU A 579           
SHEET    5   A 5 ASN A 612  CYS A 616 -1  N  GLY A 614   O  VAL A 625           
SHEET    1   B 2 ILE A 679  ARG A 683  0                                        
SHEET    2   B 2 PHE A 694  LEU A 697 -1  O  LYS A 696   N  LEU A 680           
CISPEP   1 ILE A  716    PRO A  717          0         8.26                     
SITE     1 AC1  6 SER A 605  HIS A 606  LYS A 607  LEU A 609                    
SITE     2 AC1  6 LYS A 696  HOH A1001                                          
SITE     1 AC2  7 ASN A 673  CYS A 675  ARG A 715  TRP A 718                    
SITE     2 AC2  7 HOH A1007  HOH A1125  HOH A1149                               
CRYST1   44.362   57.143   60.996  90.00 110.42  90.00 P 1 21 1      2          
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      0.022542  0.000000  0.008392        0.00000                         
SCALE2      0.000000  0.017500  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.017494        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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