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Database: PDB
Entry: 5NP5
LinkDB: 5NP5
Original site: 5NP5 
HEADER    TRANSFERASE                             13-APR-17   5NP5              
TITLE     ABL2 SH3 PTYR116/161                                                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ABELSON TYROSINE-PROTEIN KINASE 2;                         
COMPND   3 CHAIN: A, B;                                                         
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 5NP5    1       JRNL                                     
REVDAT   2   30-JAN-19 5NP5    1       JRNL                                     
REVDAT   1   16-MAY-18 5NP5    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.    1.40 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX DEV_1750                                      
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) : 1.40                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 32.41                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.350                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.4                           
REMARK   3   NUMBER OF REFLECTIONS             : 18336                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.173                           
REMARK   3   R VALUE            (WORKING SET) : 0.172                           
REMARK   3   FREE R VALUE                     : 0.199                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.250                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 962                             
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 32.4222 -  2.6777    0.99     2517   146  0.1446 0.1626        
REMARK   3     2  2.6777 -  2.1255    1.00     2490   159  0.1747 0.2116        
REMARK   3     3  2.1255 -  1.8568    0.99     2503   101  0.1726 0.2126        
REMARK   3     4  1.8568 -  1.6871    1.00     2456   167  0.1934 0.2231        
REMARK   3     5  1.6871 -  1.5662    0.99     2479   138  0.2153 0.2435        
REMARK   3     6  1.5662 -  1.4738    1.00     2502   110  0.2381 0.2646        
REMARK   3     7  1.4738 -  1.4000    0.99     2427   141  0.2781 0.3139        
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)     : 0.160            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 24.660           
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      :  0.016           1016                                  
REMARK   3   ANGLE     :  1.610           1400                                  
REMARK   3   CHIRALITY :  0.088            146                                  
REMARK   3   PLANARITY :  0.009            183                                  
REMARK   3   DIHEDRAL  : 14.299            359                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 10                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 60 THROUGH 69 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   1.6704  12.2227 -12.8803              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1022 T22:   0.1766                                     
REMARK   3      T33:   0.1143 T12:  -0.0314                                     
REMARK   3      T13:   0.0023 T23:   0.0331                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2579 L22:   5.8153                                     
REMARK   3      L33:   1.6710 L12:  -2.6936                                     
REMARK   3      L13:   0.3521 L23:   1.1573                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0021 S12:   0.2702 S13:   0.1593                       
REMARK   3      S21:   0.0375 S22:  -0.1709 S23:   0.0567                       
REMARK   3      S31:  -0.3561 S32:   0.1894 S33:   0.1943                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 71 THROUGH 85 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  16.2450   6.6729 -15.3674              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0722 T22:   0.1527                                     
REMARK   3      T33:   0.2017 T12:  -0.0189                                     
REMARK   3      T13:  -0.0151 T23:  -0.0368                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.9823 L22:   5.2196                                     
REMARK   3      L33:   3.4020 L12:  -1.8721                                     
REMARK   3      L13:  -1.2490 L23:   1.9134                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0097 S12:   0.2291 S13:  -0.4926                       
REMARK   3      S21:   0.0532 S22:   0.1794 S23:  -0.4370                       
REMARK   3      S31:   0.1570 S32:   0.0686 S33:  -0.0267                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 86 THROUGH 104 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):   6.3461   8.9782 -18.5621              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0959 T22:   0.1586                                     
REMARK   3      T33:   0.1246 T12:   0.0005                                     
REMARK   3      T13:  -0.0173 T23:   0.0028                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3573 L22:   2.7651                                     
REMARK   3      L33:   4.1400 L12:   1.0779                                     
REMARK   3      L13:   0.9591 L23:   1.9235                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0013 S12:  -0.0268 S13:   0.0271                       
REMARK   3      S21:  -0.1705 S22:  -0.0543 S23:  -0.0559                       
REMARK   3      S31:  -0.0552 S32:  -0.0995 S33:   0.1086                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 105 THROUGH 112 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  12.0532  11.4205 -18.0888              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1134 T22:   0.1551                                     
REMARK   3      T33:   0.1326 T12:  -0.0135                                     
REMARK   3      T13:  -0.0150 T23:   0.0183                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.5778 L22:   3.1898                                     
REMARK   3      L33:   2.4540 L12:   2.7194                                     
REMARK   3      L13:   1.0849 L23:   0.7082                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1481 S12:  -0.0372 S13:   0.0588                       
REMARK   3      S21:  -0.3152 S22:  -0.0488 S23:  -0.2134                       
REMARK   3      S31:  -0.1606 S32:   0.0777 S33:   0.0349                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 113 THROUGH 120 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   4.1989   4.8896 -10.6778              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1364 T22:   0.2206                                     
REMARK   3      T33:   0.1052 T12:  -0.0144                                     
REMARK   3      T13:  -0.0011 T23:   0.0256                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3958 L22:   7.8153                                     
REMARK   3      L33:   2.5409 L12:   0.8870                                     
REMARK   3      L13:  -1.2896 L23:   3.0494                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2390 S12:  -0.3173 S13:  -0.1953                       
REMARK   3      S21:   0.4780 S22:  -0.0590 S23:   0.0273                       
REMARK   3      S31:   0.3696 S32:   0.0103 S33:   0.1453                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 64 THROUGH 79 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   1.6306   3.1747   4.9136              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2946 T22:   0.2483                                     
REMARK   3      T33:   0.1978 T12:  -0.0849                                     
REMARK   3      T13:   0.0118 T23:   0.0126                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2135 L22:   6.6447                                     
REMARK   3      L33:   1.5751 L12:   0.8453                                     
REMARK   3      L13:   2.0296 L23:  -0.8971                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1960 S12:  -0.2706 S13:  -0.4860                       
REMARK   3      S21:  -0.2096 S22:   0.4075 S23:   0.4301                       
REMARK   3      S31:  -0.1626 S32:   0.1045 S33:  -0.1913                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 80 THROUGH 93 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   1.1197   7.9790   4.6330              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5228 T22:   0.1258                                     
REMARK   3      T33:   0.1898 T12:  -0.0733                                     
REMARK   3      T13:  -0.0047 T23:   0.0172                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0512 L22:   1.3563                                     
REMARK   3      L33:   1.4482 L12:  -0.1007                                     
REMARK   3      L13:   1.2243 L23:  -0.1749                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2024 S12:  -0.0288 S13:   0.1874                       
REMARK   3      S21:   0.7631 S22:   0.3219 S23:   0.1586                       
REMARK   3      S31:  -1.2926 S32:   0.0517 S33:   0.6699                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 94 THROUGH 103 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):   6.3168   5.4422  13.3277              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3463 T22:   0.1453                                     
REMARK   3      T33:   0.1231 T12:   0.0100                                     
REMARK   3      T13:   0.0459 T23:  -0.0563                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5641 L22:   1.7978                                     
REMARK   3      L33:   2.1579 L12:   2.1441                                     
REMARK   3      L13:  -1.0695 L23:   0.3322                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0798 S12:  -0.3895 S13:  -0.0704                       
REMARK   3      S21:  -0.2228 S22:   0.0837 S23:  -0.1761                       
REMARK   3      S31:  -0.9951 S32:   0.2274 S33:   0.0430                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 104 THROUGH 112 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -2.1961   7.4042   8.7128              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3046 T22:   0.3171                                     
REMARK   3      T33:   0.2361 T12:   0.1450                                     
REMARK   3      T13:   0.1181 T23:   0.0620                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.1027 L22:   3.3594                                     
REMARK   3      L33:   0.2002 L12:  -2.9112                                     
REMARK   3      L13:   0.3299 L23:  -0.7362                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2928 S12:   0.1789 S13:   0.0606                       
REMARK   3      S21:   0.6250 S22:   0.3341 S23:   0.3374                       
REMARK   3      S31:  -0.5665 S32:  -0.4742 S33:  -0.1757                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 113 THROUGH 120 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   8.4571   5.7283   1.9152              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3062 T22:   0.4900                                     
REMARK   3      T33:   0.1408 T12:  -0.1099                                     
REMARK   3      T13:   0.0019 T23:  -0.0090                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.2434 L22:   7.7796                                     
REMARK   3      L33:   7.1018 L12:  -1.8585                                     
REMARK   3      L13:  -1.0800 L23:  -4.5871                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0675 S12:   0.3988 S13:  -0.0002                       
REMARK   3      S21:  -0.8537 S22:  -0.2594 S23:   0.1887                       
REMARK   3      S31:   0.3129 S32:   0.8127 S33:   0.4438                       
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 5NP5 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_1200004468.                                   
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                             : 4.6                                
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   : 18354                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.400                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 32.413                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.4                               
REMARK 200  DATA REDUNDANCY                : 3.350                              
REMARK 200  R MERGE                    (I) : 0.03100                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 18.3400                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.40                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.44                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.0                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.10                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.55000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.930                              
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   (%): 27.95                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.71                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 1.8 M (NH4)2SO4, 0.1 M SODIUM ACETATE,   
REMARK 280  PH 4.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K             
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       22.95500            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
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 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 B    60                                                      
REMARK 465     SER B    61                                                      
REMARK 465     HIS B    62                                                      
REMARK 465     MET B    63                                                      
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     ASN B  64    CG   OD1  ND2                                       
REMARK 470     ARG B  89    CG   CD   NE   CZ   NH1  NH2                        
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  HD22  ASN B   120     O    HOH B   206              1.49            
REMARK 500   O    HOH A   307     O    HOH A   333              1.84            
REMARK 500   O2P  PTR B   115     O    HOH B   201              1.88            
REMARK 500   O    HOH A   301     O    HOH A   344              1.89            
REMARK 500   OE1  GLU B   101     O    HOH B   202              1.90            
REMARK 500   O    HOH A   345     O    HOH A   353              2.02            
REMARK 500   ND2  ASN B    78     O    HOH B   203              2.05            
REMARK 500   N    ASN B    64     O    HOH B   204              2.09            
REMARK 500   O    GLY B    92     O    HOH B   205              2.13            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   HZ1  LYS A   105     O    HOH B   201     2655     1.46            
REMARK 500   O    HOH A   310     O    HOH B   215     2555     1.87            
REMARK 500   NZ   LYS A   105     O    HOH B   201     2655     2.05            
REMARK 500   O    HOH B   220     O    HOH B   229     1455     2.17            
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    ASP A  71   CB  -  CG  -  OD1 ANGL. DEV. =   6.6 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  61      -37.35   -132.54                                   
REMARK 500    SER A  75       18.55   -142.00                                   
REMARK 500    ASN B  78      -15.18     74.84                                   
REMARK 500    ASN B  94     -165.24    -77.69                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 201                 
DBREF  5NP5 A   64   120  UNP    P42684   ABL2_HUMAN     110    166             
DBREF  5NP5 B   64   120  UNP    P42684   ABL2_HUMAN     110    166             
SEQADV 5NP5 GLY A   60  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP5 SER A   61  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP5 HIS A   62  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP5 MET A   63  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP5 GLY B   60  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP5 SER B   61  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP5 HIS B   62  UNP  P42684              EXPRESSION TAG                 
SEQADV 5NP5 MET B   63  UNP  P42684              EXPRESSION TAG                 
SEQRES   1 A   61  GLY SER HIS MET ASN LEU PHE VAL ALA LEU PTR 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 PTR ILE THR PRO VAL ASN                          
SEQRES   1 B   61  GLY SER HIS MET ASN LEU PHE VAL ALA LEU PTR 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 PTR ILE THR PRO VAL ASN                          
MODRES 5NP5 PTR A   70  TYR  MODIFIED RESIDUE                                   
MODRES 5NP5 PTR A  115  TYR  MODIFIED RESIDUE                                   
MODRES 5NP5 PTR B   70  TYR  MODIFIED RESIDUE                                   
MODRES 5NP5 PTR B  115  TYR  MODIFIED RESIDUE                                   
HET    PTR  A  70      23                                                       
HET    PTR  A 115      23                                                       
HET    PTR  B  70      23                                                       
HET    PTR  B 115      23                                                       
HET    SO4  A 201       5                                                       
HETNAM     PTR O-PHOSPHOTYROSINE                                                
HETNAM     SO4 SULFATE ION                                                      
HETSYN     PTR PHOSPHONOTYROSINE                                                
FORMUL   1  PTR    4(C9 H12 N O6 P)                                             
FORMUL   3  SO4    O4 S 2-                                                      
FORMUL   4  HOH   *94(H2 O)                                                     
SHEET    1 AA1 5 GLY A 107  PRO A 112  0                                        
SHEET    2 AA1 5 TRP A  99  SER A 104 -1  N  VAL A 102   O  GLY A 109           
SHEET    3 AA1 5 LYS A  87  TYR A  93 -1  N  LEU A  91   O  GLU A 101           
SHEET    4 AA1 5 LEU A  65  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 PHE B  66  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           
LINK         C   LEU A  69                 N   PTR A  70     1555   1555  1.32  
LINK         C   PTR A  70                 N   ASP A  71     1555   1555  1.32  
LINK         C   ASN A 114                 N   PTR A 115     1555   1555  1.33  
LINK         C   PTR A 115                 N   ILE A 116     1555   1555  1.33  
LINK         C   LEU B  69                 N   PTR B  70     1555   1555  1.31  
LINK         C   PTR B  70                 N   ASP B  71     1555   1555  1.32  
LINK         C   ASN B 114                 N   PTR B 115     1555   1555  1.33  
LINK         C   PTR B 115                 N   ILE B 116     1555   1555  1.32  
SITE     1 AC1  5 ARG A 103  GLY A 107  HOH A 330  HOH A 335                    
SITE     2 AC1  5 HOH A 340                                                     
CRYST1   22.510   45.910   45.770  90.00  89.74  90.00 P 1 21 1      4          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.044425  0.000000 -0.000205        0.00000                         
SCALE2      0.000000  0.021782  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.021849        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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