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Database: PDB
Entry: 5NP3
LinkDB: 5NP3
Original site: 5NP3 
HEADER    TRANSFERASE                             13-APR-17   5NP3              
TITLE     ABL2 SH3                                                              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ABELSON TYROSINE-PROTEIN KINASE 2;                         
COMPND   3 CHAIN: A, B, C, D;                                                   
COMPND   4 FRAGMENT: SH3 DOMAIN, UNP RESIDUES 110-166;                          
COMPND   5 SYNONYM: ABELSON MURINE LEUKEMIA VIRAL ONCOGENE HOMOLOG 2,ABELSON-   
COMPND   6 RELATED GENE PROTEIN,TYROSINE-PROTEIN KINASE ARG;                    
COMPND   7 EC: 2.7.10.2;                                                        
COMPND   8 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: ABL2, ABLL, ARG;                                               
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    SIGNALING, TYROSINE PHOSPHORYLATION, SH3 DOMAIN, KINASE, TRANSFERASE  
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    B.MERO,L.RADNAI,G.GOGL,I.LEVELES,L.BUDAY                              
REVDAT   3   03-APR-19 5NP3    1       JRNL                                     
REVDAT   2   30-JAN-19 5NP3    1       JRNL                                     
REVDAT   1   16-MAY-18 5NP3    0                                                
JRNL        AUTH   B.MERO,L.RADNAI,G.GOGL,O.TOKE,I.LEVELES,K.KOPRIVANACZ,       
JRNL        AUTH 2 B.SZEDER,M.DULK,G.KUDLIK,V.VAS,A.CSERKASZKY,S.SIPEKI,        
JRNL        AUTH 3 L.NYITRAY,B.G.VERTESSY,L.BUDAY                               
JRNL        TITL   STRUCTURAL INSIGHTS INTO THE TYROSINE                        
JRNL        TITL 2 PHOSPHORYLATION-MEDIATED INHIBITION OF SH3 DOMAIN-LIGAND     
JRNL        TITL 3 INTERACTIONS.                                                
JRNL        REF    J.BIOL.CHEM.                  V. 294  4608 2019              
JRNL        REFN                   ESSN 1083-351X                               
JRNL        PMID   30659095                                                     
JRNL        DOI    10.1074/JBC.RA118.004732                                     
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.00 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.9_1692                                      
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 38.78                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.400                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 13289                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.202                           
REMARK   3   R VALUE            (WORKING SET) : 0.201                           
REMARK   3   FREE R VALUE                     : 0.234                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.190                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 690                             
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 38.7879 -  3.4199    1.00     2516   141  0.1587 0.1810        
REMARK   3     2  3.4199 -  2.7147    1.00     2531   138  0.1987 0.2661        
REMARK   3     3  2.7147 -  2.3716    1.00     2505   132  0.2611 0.3066        
REMARK   3     4  2.3716 -  2.1548    1.00     2508   137  0.2642 0.2655        
REMARK   3     5  2.1548 -  2.0003    1.00     2539   142  0.3260 0.3532        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : NULL                                          
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.300            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 30.450           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.005           1856                                  
REMARK   3   ANGLE     :  0.952           2532                                  
REMARK   3   CHIRALITY :  0.029            273                                  
REMARK   3   PLANARITY :  0.004            333                                  
REMARK   3   DIHEDRAL  : 13.307            646                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 16                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 64 THROUGH 83 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  26.2636  57.6870 -10.3516              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2382 T22:   0.3956                                     
REMARK   3      T33:   0.4430 T12:  -0.0116                                     
REMARK   3      T13:   0.0145 T23:   0.0436                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0459 L22:   0.2387                                     
REMARK   3      L33:   0.1489 L12:   0.0106                                     
REMARK   3      L13:  -0.1718 L23:   0.1621                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0490 S12:   0.1771 S13:   0.3407                       
REMARK   3      S21:  -0.0927 S22:  -0.0595 S23:  -0.0889                       
REMARK   3      S31:  -0.0401 S32:  -0.1519 S33:  -0.0000                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 84 THROUGH 98 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  29.3980  51.4549  -7.9962              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2097 T22:   0.4246                                     
REMARK   3      T33:   0.2701 T12:   0.0340                                     
REMARK   3      T13:   0.0295 T23:  -0.0112                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2022 L22:   0.2320                                     
REMARK   3      L33:   0.0739 L12:  -0.0065                                     
REMARK   3      L13:  -0.2491 L23:  -0.0255                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1818 S12:   0.0313 S13:   0.1687                       
REMARK   3      S21:   0.1685 S22:   0.1105 S23:  -0.1000                       
REMARK   3      S31:   0.1147 S32:  -0.0165 S33:  -0.0000                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 99 THROUGH 120 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  27.9101  53.0327 -10.1738              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1972 T22:   0.4158                                     
REMARK   3      T33:   0.3323 T12:  -0.0050                                     
REMARK   3      T13:   0.0596 T23:   0.0120                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0407 L22:   0.2692                                     
REMARK   3      L33:  -0.0648 L12:  -0.0308                                     
REMARK   3      L13:  -0.0113 L23:   0.0349                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0966 S12:   0.1580 S13:   0.1812                       
REMARK   3      S21:   0.1869 S22:  -0.0186 S23:   0.0890                       
REMARK   3      S31:   0.2014 S32:   0.1877 S33:  -0.0000                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 63 THROUGH 68 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  32.5217  67.3186  13.0207              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2964 T22:   0.3519                                     
REMARK   3      T33:   0.4605 T12:   0.0223                                     
REMARK   3      T13:   0.0058 T23:   0.0611                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0267 L22:  -0.1010                                     
REMARK   3      L33:  -0.0037 L12:  -0.0206                                     
REMARK   3      L13:  -0.0155 L23:  -0.0130                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0379 S12:   0.2450 S13:  -0.4825                       
REMARK   3      S21:   0.2415 S22:   0.2688 S23:   0.1751                       
REMARK   3      S31:   0.2811 S32:   0.1376 S33:   0.0000                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 69 THROUGH 78 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  27.3707  67.1356  -2.7516              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2453 T22:   0.5266                                     
REMARK   3      T33:   0.4082 T12:   0.0288                                     
REMARK   3      T13:  -0.0252 T23:   0.0648                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0574 L22:  -0.0726                                     
REMARK   3      L33:   0.2375 L12:  -0.0667                                     
REMARK   3      L13:   0.1245 L23:   0.0781                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2059 S12:   0.0349 S13:   0.5746                       
REMARK   3      S21:  -0.2870 S22:   0.1123 S23:  -0.2722                       
REMARK   3      S31:  -0.0634 S32:   0.0064 S33:   0.0000                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 79 THROUGH 98 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  26.5165  66.4504   5.6399              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2973 T22:   0.4081                                     
REMARK   3      T33:   0.2963 T12:   0.0091                                     
REMARK   3      T13:   0.0102 T23:  -0.0482                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2275 L22:   0.0546                                     
REMARK   3      L33:  -0.1105 L12:  -0.1618                                     
REMARK   3      L13:  -0.1218 L23:   0.2062                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2053 S12:   0.0606 S13:   0.2804                       
REMARK   3      S21:   0.0320 S22:  -0.1800 S23:  -0.0613                       
REMARK   3      S31:   0.0155 S32:  -0.3913 S33:   0.0000                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 99 THROUGH 107 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  25.1926  71.0801   5.5351              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2495 T22:   0.3427                                     
REMARK   3      T33:   0.3721 T12:   0.0943                                     
REMARK   3      T13:   0.0269 T23:  -0.0309                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0462 L22:   0.0275                                     
REMARK   3      L33:   0.0051 L12:  -0.0023                                     
REMARK   3      L13:  -0.0899 L23:   0.0631                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3865 S12:   0.1070 S13:   0.0960                       
REMARK   3      S21:  -0.1186 S22:  -0.3180 S23:  -0.4317                       
REMARK   3      S31:  -0.0522 S32:  -0.7677 S33:  -0.0000                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 108 THROUGH 120 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  29.0977  64.3817   6.4107              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2730 T22:   0.3446                                     
REMARK   3      T33:   0.3088 T12:   0.0043                                     
REMARK   3      T13:  -0.0277 T23:  -0.0085                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0489 L22:  -0.0835                                     
REMARK   3      L33:   0.1300 L12:   0.0165                                     
REMARK   3      L13:  -0.0312 L23:  -0.0486                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2311 S12:  -0.1467 S13:   0.1828                       
REMARK   3      S21:  -0.0149 S22:  -0.0654 S23:  -0.3637                       
REMARK   3      S31:   0.0788 S32:  -0.1082 S33:   0.0000                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 64 THROUGH 73 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.0471  62.0033   8.3233              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2939 T22:   0.5140                                     
REMARK   3      T33:   0.3145 T12:  -0.0108                                     
REMARK   3      T13:  -0.0630 T23:  -0.0260                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1899 L22:   0.0236                                     
REMARK   3      L33:   0.3031 L12:  -0.0470                                     
REMARK   3      L13:   0.0128 L23:   0.0150                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0183 S12:  -0.1447 S13:   0.0332                       
REMARK   3      S21:  -0.4616 S22:   0.0492 S23:   0.3638                       
REMARK   3      S31:  -0.0722 S32:  -0.0049 S33:  -0.0000                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 74 THROUGH 78 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  13.3616  52.9596  10.1462              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3733 T22:   0.4761                                     
REMARK   3      T33:   0.6729 T12:   0.0759                                     
REMARK   3      T13:  -0.2386 T23:   0.1303                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0065 L22:  -0.0103                                     
REMARK   3      L33:   0.0332 L12:   0.0085                                     
REMARK   3      L13:  -0.0056 L23:   0.0029                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4569 S12:  -0.2422 S13:   0.2987                       
REMARK   3      S21:  -0.2976 S22:  -0.4714 S23:  -0.4664                       
REMARK   3      S31:   0.7305 S32:  -0.1167 S33:  -0.0000                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 79 THROUGH 93 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   3.7610  62.4173  11.3650              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2570 T22:   0.4313                                     
REMARK   3      T33:   0.2648 T12:  -0.0090                                     
REMARK   3      T13:  -0.0100 T23:  -0.0189                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0377 L22:   0.1019                                     
REMARK   3      L33:   0.0621 L12:  -0.0991                                     
REMARK   3      L13:   0.0156 L23:   0.1284                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1140 S12:  -0.6138 S13:   0.0944                       
REMARK   3      S21:  -0.1974 S22:   0.0269 S23:   0.1867                       
REMARK   3      S31:  -0.0371 S32:   0.0277 S33:   0.0000                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 94 THROUGH 98 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  14.0427  63.9497  -0.2688              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2879 T22:   0.5841                                     
REMARK   3      T33:   0.2280 T12:  -0.2038                                     
REMARK   3      T13:  -0.0202 T23:  -0.0243                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0211 L22:   0.0132                                     
REMARK   3      L33:   0.0118 L12:   0.0033                                     
REMARK   3      L13:  -0.0134 L23:  -0.0082                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0626 S12:   0.3875 S13:  -0.2955                       
REMARK   3      S21:  -0.4078 S22:   0.0003 S23:  -0.0788                       
REMARK   3      S31:   0.3258 S32:  -0.0131 S33:  -0.0000                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 99 THROUGH 106 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):   7.9716  62.7710  13.3640              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1694 T22:   0.5045                                     
REMARK   3      T33:   0.2131 T12:   0.0111                                     
REMARK   3      T13:  -0.0416 T23:  -0.0601                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0015 L22:   0.0263                                     
REMARK   3      L33:   0.0234 L12:   0.0170                                     
REMARK   3      L13:   0.0126 L23:   0.1640                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0034 S12:  -0.4273 S13:   0.1966                       
REMARK   3      S21:  -0.1632 S22:   0.4863 S23:  -0.1138                       
REMARK   3      S31:   0.1211 S32:   0.3297 S33:  -0.0000                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 107 THROUGH 120 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   4.1014  64.0227   7.0597              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2136 T22:   0.3935                                     
REMARK   3      T33:   0.1981 T12:  -0.0034                                     
REMARK   3      T13:  -0.0463 T23:   0.0081                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0196 L22:   0.1520                                     
REMARK   3      L33:  -0.0207 L12:   0.0238                                     
REMARK   3      L13:   0.0410 L23:  -0.0423                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1249 S12:   0.0042 S13:  -0.2503                       
REMARK   3      S21:   0.0200 S22:  -0.0340 S23:   0.0865                       
REMARK   3      S31:  -0.0320 S32:  -0.0239 S33:  -0.0000                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 61 THROUGH 86 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   7.9182  48.5574  -4.7592              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2429 T22:   0.3737                                     
REMARK   3      T33:   0.3661 T12:  -0.0399                                     
REMARK   3      T13:  -0.0094 T23:  -0.0152                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0017 L22:   0.0318                                     
REMARK   3      L33:   0.2157 L12:  -0.1587                                     
REMARK   3      L13:   0.0511 L23:   0.2545                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1774 S12:  -0.0446 S13:  -0.0076                       
REMARK   3      S21:  -0.0781 S22:   0.0813 S23:  -0.2393                       
REMARK   3      S31:   0.1858 S32:   0.0265 S33:   0.0000                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 87 THROUGH 120 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):   3.7022  50.3509  -7.7932              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2295 T22:   0.3361                                     
REMARK   3      T33:   0.3195 T12:  -0.0157                                     
REMARK   3      T13:   0.0125 T23:  -0.0213                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1256 L22:   0.2558                                     
REMARK   3      L33:   0.0803 L12:   0.0023                                     
REMARK   3      L13:   0.4025 L23:   0.4187                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1457 S12:  -0.0097 S13:   0.0121                       
REMARK   3      S21:   0.1108 S22:  -0.2000 S23:  -0.1622                       
REMARK   3      S31:  -0.0056 S32:  -0.1883 S33:   0.0000                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 5NP3 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 13-APR-17.                  
REMARK 100 THE DEPOSITION ID IS D_1200004465.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 07-NOV-15                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : PETRA III, EMBL C/O DESY           
REMARK 200  BEAMLINE                       : P13 (MX1)                          
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9763                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS 6M-F               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : XDS                                
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 13363                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.000                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 38.800                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : 10.10                              
REMARK 200  R MERGE                    (I) : 0.08900                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 15.4600                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.05                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 8.30                               
REMARK 200  R MERGE FOR SHELL          (I) : 1.05000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.940                              
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: 1ABO                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 33.86                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.86                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 1.8 M DI-SODIUM-DL-MALATE, PH 7.0,       
REMARK 280  VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65                             
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+2/3                                            
REMARK 290       3555   -X+Y,-X,Z+1/3                                           
REMARK 290       4555   -X,-Y,Z+1/2                                             
REMARK 290       5555   Y,-X+Y,Z+1/6                                            
REMARK 290       6555   X-Y,X,Z+5/6                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000      115.94000            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       57.97000            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       86.95500            
REMARK 290   SMTRY1   5  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   5 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000       28.98500            
REMARK 290   SMTRY1   6  0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000      144.92500            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2, 3, 4                                              
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 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 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B                                     
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 350                                                                      
REMARK 350 BIOMOLECULE: 3                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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 350                                                                      
REMARK 350 BIOMOLECULE: 4                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: D                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     GLY A    60                                                      
REMARK 465     SER A    61                                                      
REMARK 465     HIS A    62                                                      
REMARK 465     MET A    63                                                      
REMARK 465     GLY B    60                                                      
REMARK 465     SER B    61                                                      
REMARK 465     HIS B    62                                                      
REMARK 465     GLY C    60                                                      
REMARK 465     SER C    61                                                      
REMARK 465     HIS C    62                                                      
REMARK 465     MET C    63                                                      
REMARK 465     GLY D    60                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     ARG A  89    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS B  87    CG   CD   CE   NZ                                   
REMARK 470     LYS B 105    CD   CE   NZ                                        
REMARK 470     ARG C  89    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASN C 106    CG   OD1  ND2                                       
REMARK 470     LYS D  87    CD   CE   NZ                                        
REMARK 470     LYS D 105    CG   CD   CE   NZ                                   
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   OD1  ASN B    78     O    HOH B   201              2.06            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    LEU A  65   CA  -  CB  -  CG  ANGL. DEV. =  13.9 DEGREES          
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  75       40.52   -105.81                                   
REMARK 500    ASP A  77     -147.14     57.91                                   
REMARK 500    ASN A  78       47.92   -106.36                                   
REMARK 500    ASP B  77     -101.32    -12.06                                   
REMARK 500    SER B 104     -163.24   -127.29                                   
REMARK 500    ASP C  77     -147.13     59.59                                   
REMARK 500    SER C 104     -168.97   -126.80                                   
REMARK 500    SER C 104     -168.97   -126.94                                   
REMARK 500    MET D  63     -175.25   -176.11                                   
REMARK 500    ASN D  64       41.55   -108.47                                   
REMARK 500    ASP D  77     -115.12     61.62                                   
REMARK 500    ASN D  94     -168.75    -77.48                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  5NP3 A   64   120  UNP    P42684   ABL2_HUMAN     110    166             
DBREF  5NP3 B   64   120  UNP    P42684   ABL2_HUMAN     110    166             
DBREF  5NP3 C   64   120  UNP    P42684   ABL2_HUMAN     110    166             
DBREF  5NP3 D   64   120  UNP    P42684   ABL2_HUMAN     110    166             
SEQADV 5NP3 GLY A   60  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP3 SER A   61  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP3 HIS A   62  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP3 MET A   63  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP3 GLY B   60  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP3 SER B   61  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP3 HIS B   62  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP3 MET B   63  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP3 GLY C   60  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP3 SER C   61  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP3 HIS C   62  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP3 MET C   63  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP3 GLY D   60  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP3 SER D   61  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP3 HIS D   62  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP3 MET D   63  UNP  P42684              EXPRESSION TAG                 
SEQRES   1 A   61  GLY SER HIS MET ASN LEU PHE VAL ALA LEU TYR ASP PHE          
SEQRES   2 A   61  VAL ALA SER GLY ASP ASN THR LEU SER ILE THR LYS GLY          
SEQRES   3 A   61  GLU LYS LEU ARG VAL LEU GLY TYR ASN GLN ASN GLY GLU          
SEQRES   4 A   61  TRP SER GLU VAL ARG SER LYS ASN GLY GLN GLY TRP VAL          
SEQRES   5 A   61  PRO SER ASN TYR ILE THR PRO VAL ASN                          
SEQRES   1 B   61  GLY SER HIS MET ASN LEU PHE VAL ALA LEU TYR ASP PHE          
SEQRES   2 B   61  VAL ALA SER GLY ASP ASN THR LEU SER ILE THR LYS GLY          
SEQRES   3 B   61  GLU LYS LEU ARG VAL LEU GLY TYR ASN GLN ASN GLY GLU          
SEQRES   4 B   61  TRP SER GLU VAL ARG SER LYS ASN GLY GLN GLY TRP VAL          
SEQRES   5 B   61  PRO SER ASN TYR ILE THR PRO VAL ASN                          
SEQRES   1 C   61  GLY SER HIS MET ASN LEU PHE VAL ALA LEU TYR ASP PHE          
SEQRES   2 C   61  VAL ALA SER GLY ASP ASN THR LEU SER ILE THR LYS GLY          
SEQRES   3 C   61  GLU LYS LEU ARG VAL LEU GLY TYR ASN GLN ASN GLY GLU          
SEQRES   4 C   61  TRP SER GLU VAL ARG SER LYS ASN GLY GLN GLY TRP VAL          
SEQRES   5 C   61  PRO SER ASN TYR ILE THR PRO VAL ASN                          
SEQRES   1 D   61  GLY SER HIS MET ASN LEU PHE VAL ALA LEU TYR ASP PHE          
SEQRES   2 D   61  VAL ALA SER GLY ASP ASN THR LEU SER ILE THR LYS GLY          
SEQRES   3 D   61  GLU LYS LEU ARG VAL LEU GLY TYR ASN GLN ASN GLY GLU          
SEQRES   4 D   61  TRP SER GLU VAL ARG SER LYS ASN GLY GLN GLY TRP VAL          
SEQRES   5 D   61  PRO SER ASN TYR ILE THR PRO VAL ASN                          
FORMUL   5  HOH   *37(H2 O)                                                     
SHEET    1 AA1 5 GLN A 108  PRO A 112  0                                        
SHEET    2 AA1 5 TRP A  99  ARG A 103 -1  N  SER A 100   O  VAL A 111           
SHEET    3 AA1 5 LYS A  87  TYR A  93 -1  N  LEU A  91   O  GLU A 101           
SHEET    4 AA1 5 PHE A  66  ALA A  68 -1  N  PHE A  66   O  LEU A  88           
SHEET    5 AA1 5 ILE A 116  PRO A 118 -1  O  THR A 117   N  VAL A  67           
SHEET    1 AA2 5 GLN B 108  PRO B 112  0                                        
SHEET    2 AA2 5 TRP B  99  ARG B 103 -1  N  SER B 100   O  VAL B 111           
SHEET    3 AA2 5 LYS B  87  TYR B  93 -1  N  LEU B  91   O  GLU B 101           
SHEET    4 AA2 5 LEU B  65  ALA B  68 -1  N  PHE B  66   O  LEU B  88           
SHEET    5 AA2 5 ILE B 116  PRO B 118 -1  O  THR B 117   N  VAL B  67           
SHEET    1 AA3 5 GLY C 107  PRO C 112  0                                        
SHEET    2 AA3 5 TRP C  99  SER C 104 -1  N  VAL C 102   O  GLY C 109           
SHEET    3 AA3 5 LYS C  87  TYR C  93 -1  N  LEU C  91   O  GLU C 101           
SHEET    4 AA3 5 PHE C  66  ALA C  68 -1  N  PHE C  66   O  LEU C  88           
SHEET    5 AA3 5 ILE C 116  PRO C 118 -1  O  THR C 117   N  VAL C  67           
SHEET    1 AA4 5 GLY D 107  PRO D 112  0                                        
SHEET    2 AA4 5 TRP D  99  SER D 104 -1  N  SER D 104   O  GLY D 107           
SHEET    3 AA4 5 LYS D  87  TYR D  93 -1  N  LEU D  91   O  GLU D 101           
SHEET    4 AA4 5 LEU D  65  ALA D  68 -1  N  PHE D  66   O  LEU D  88           
SHEET    5 AA4 5 ILE D 116  PRO D 118 -1  O  THR D 117   N  VAL D  67           
CRYST1   44.780   44.780  173.910  90.00  90.00 120.00 P 65         24          
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      0.022331  0.012893  0.000000        0.00000                         
SCALE2      0.000000  0.025786  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.005750        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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