GenomeNet

Database: PDB
Entry: 4U17
LinkDB: 4U17
Original site: 4U17 
HEADER    TRANSFERASE                             15-JUL-14   4U17              
TITLE     SWAPPED DIMER OF THE HUMAN FYN-SH2 DOMAIN                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: TYROSINE-PROTEIN KINASE FYN;                               
COMPND   3 CHAIN: A, B, C;                                                      
COMPND   4 FRAGMENT: FYN-SH2 DOMAIN (UNP RESIDUES 148-248);                     
COMPND   5 SYNONYM: PROTO-ONCOGENE SYN,PROTO-ONCOGENE C-FYN,SRC-LIKE KINASE,SLK,
COMPND   6 P59-FYN;                                                             
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: FYN;                                                           
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008                                      
KEYWDS    HUMAN FYN-SH2 DOMAIN, DOMAIN SWAPPING, TRANSFERASE                    
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    A.GARCIA-PINO,R.HUCULECI,T.LENAERTS,N.A.J.VAN NULAND                  
REVDAT   1   29-JUL-15 4U17    0                                                
JRNL        AUTH   A.GARCIA-PINO,R.HUCULECI,T.LENAERTS,N.A.J.VAN NULAND         
JRNL        TITL   SWAPPED DIMER OF THE HUMAN FYN-SH2 DOMAIN                    
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.99 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 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 : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.99                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 34.92                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.360                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.5                           
REMARK   3   NUMBER OF REFLECTIONS             : 34985                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.209                           
REMARK   3   R VALUE            (WORKING SET) : 0.207                           
REMARK   3   FREE R VALUE                     : 0.255                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.980                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1743                            
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 34.9212 -  4.5518    0.98     2868   141  0.1830 0.2215        
REMARK   3     2  4.5518 -  3.6141    0.98     2769   147  0.1666 0.1945        
REMARK   3     3  3.6141 -  3.1576    0.99     2782   157  0.1859 0.2571        
REMARK   3     4  3.1576 -  2.8690    0.99     2764   156  0.2302 0.2997        
REMARK   3     5  2.8690 -  2.6635    0.99     2740   171  0.2330 0.3109        
REMARK   3     6  2.6635 -  2.5065    0.99     2794   150  0.2421 0.3168        
REMARK   3     7  2.5065 -  2.3810    0.99     2801   127  0.2423 0.2660        
REMARK   3     8  2.3810 -  2.2774    0.99     2789   137  0.2554 0.2985        
REMARK   3     9  2.2774 -  2.1897    0.99     2773   140  0.2549 0.3100        
REMARK   3    10  2.1897 -  2.1142    0.99     2759   126  0.2708 0.3034        
REMARK   3    11  2.1142 -  2.0481    0.99     2779   147  0.2959 0.3545        
REMARK   3    12  2.0481 -  1.9895    0.94     2624   144  0.3100 0.3298        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
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)     : 0.290            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 31.910           
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      :  0.012           2539                                  
REMARK   3   ANGLE     :  1.413           3424                                  
REMARK   3   CHIRALITY :  0.057            353                                  
REMARK   3   PLANARITY :  0.006            433                                  
REMARK   3   DIHEDRAL  : 15.607            900                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 9                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 11:19)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  17.3157 -10.8869  43.8886              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6948 T22:   0.5541                                     
REMARK   3      T33:   0.4575 T12:   0.0619                                     
REMARK   3      T13:   0.0679 T23:   0.1450                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.8940 L22:   8.1660                                     
REMARK   3      L33:   4.8647 L12:   1.2897                                     
REMARK   3      L13:   2.9516 L23:  -3.0302                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3612 S12:  -1.1157 S13:  -0.9773                       
REMARK   3      S21:   0.6195 S22:  -0.7562 S23:   0.1804                       
REMARK   3      S31:   0.7833 S32:   1.2021 S33:  -0.1565                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 20:71)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  17.4158  -6.4213  32.9794              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2743 T22:   0.4955                                     
REMARK   3      T33:   0.3215 T12:  -0.0793                                     
REMARK   3      T13:  -0.0221 T23:  -0.0206                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0522 L22:   6.1047                                     
REMARK   3      L33:   8.1115 L12:  -0.6212                                     
REMARK   3      L13:   0.7017 L23:   0.9685                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0393 S12:   0.1935 S13:  -0.2534                       
REMARK   3      S21:   0.1465 S22:  -0.0626 S23:  -0.2866                       
REMARK   3      S31:   0.3639 S32:   0.6839 S33:  -0.0060                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 72:112)                          
REMARK   3    ORIGIN FOR THE GROUP (A):  24.5678  14.3724  30.3981              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4106 T22:   0.5555                                     
REMARK   3      T33:   0.2610 T12:  -0.1975                                     
REMARK   3      T13:  -0.0096 T23:  -0.0369                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4850 L22:   6.4456                                     
REMARK   3      L33:   7.0694 L12:  -0.8068                                     
REMARK   3      L13:   1.1629 L23:  -2.6873                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2270 S12:  -0.5281 S13:   0.0898                       
REMARK   3      S21:  -0.1931 S22:  -0.0599 S23:   0.0137                       
REMARK   3      S31:   0.0039 S32:  -0.5500 S33:  -0.2075                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 11:60)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  18.1148  -3.3092   1.6035              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5688 T22:   0.3396                                     
REMARK   3      T33:   0.2848 T12:  -0.0760                                     
REMARK   3      T13:   0.0383 T23:   0.0022                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5487 L22:   3.3310                                     
REMARK   3      L33:   9.2005 L12:  -1.0726                                     
REMARK   3      L13:  -3.3977 L23:   2.0606                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1949 S12:  -0.4038 S13:   0.3531                       
REMARK   3      S21:  -0.1373 S22:  -0.0122 S23:  -0.2719                       
REMARK   3      S31:  -0.1901 S32:   0.6205 S33:  -0.2116                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 61:71)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  11.7031  -0.7616  -0.3356              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5995 T22:   0.3091                                     
REMARK   3      T33:   0.3132 T12:   0.0523                                     
REMARK   3      T13:  -0.0228 T23:   0.0132                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.0522 L22:   9.4220                                     
REMARK   3      L33:   8.1306 L12:  -4.6725                                     
REMARK   3      L13:  -4.8933 L23:   7.7250                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4506 S12:   0.5503 S13:   0.4933                       
REMARK   3      S21:  -0.6236 S22:  -0.2511 S23:  -0.6718                       
REMARK   3      S31:  -0.2881 S32:  -0.6577 S33:  -0.2718                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 72:87)                           
REMARK   3    ORIGIN FOR THE GROUP (A):   1.0083   1.2941   0.6794              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4253 T22:   0.6004                                     
REMARK   3      T33:   0.2608 T12:   0.0045                                     
REMARK   3      T13:   0.0268 T23:   0.0162                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.9873 L22:   3.2219                                     
REMARK   3      L33:   7.7929 L12:   2.5357                                     
REMARK   3      L13:   6.3070 L23:   2.3201                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1989 S12:   0.2851 S13:  -0.1007                       
REMARK   3      S21:   0.0127 S22:   0.2066 S23:  -0.0490                       
REMARK   3      S31:   0.3275 S32:   0.1585 S33:  -0.4939                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 88:112)                          
REMARK   3    ORIGIN FOR THE GROUP (A): -11.2054  -9.6449  -7.0086              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6854 T22:   0.4216                                     
REMARK   3      T33:   0.3165 T12:   0.1316                                     
REMARK   3      T13:   0.0523 T23:  -0.0170                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.8995 L22:   6.0309                                     
REMARK   3      L33:   6.4172 L12:   3.7294                                     
REMARK   3      L13:   0.5575 L23:  -2.1182                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5161 S12:   0.3648 S13:  -0.7623                       
REMARK   3      S21:  -0.2516 S22:   0.2786 S23:  -0.3036                       
REMARK   3      S31:   1.2479 S32:   0.6445 S33:   0.3085                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'C' AND (RESSEQ 10:71)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  30.2290  24.6012  32.2444              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5321 T22:   0.3203                                     
REMARK   3      T33:   0.3440 T12:  -0.1041                                     
REMARK   3      T13:  -0.0199 T23:  -0.0609                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.5738 L22:   5.7005                                     
REMARK   3      L33:   5.2139 L12:  -1.4102                                     
REMARK   3      L13:   1.2812 L23:   2.5960                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0980 S12:  -0.2348 S13:   0.4977                       
REMARK   3      S21:  -0.2230 S22:   0.1772 S23:  -0.4835                       
REMARK   3      S31:  -1.2642 S32:   0.2368 S33:  -0.0020                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'C' AND (RESSEQ 72:112)                          
REMARK   3    ORIGIN FOR THE GROUP (A):  20.1279   3.7376  37.4098              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6179 T22:   0.5076                                     
REMARK   3      T33:   0.3134 T12:  -0.2316                                     
REMARK   3      T13:  -0.0580 T23:  -0.0045                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5022 L22:   2.7401                                     
REMARK   3      L33:   3.4238 L12:  -0.6993                                     
REMARK   3      L13:  -0.7151 L23:  -1.0791                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4991 S12:  -0.4343 S13:   0.0022                       
REMARK   3      S21:   0.5903 S22:  -0.3459 S23:   0.0475                       
REMARK   3      S31:  -0.8782 S32:   0.2369 S33:  -0.0476                       
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 4U17 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-JUL-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000202637.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 04-JUL-11                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SOLEIL                             
REMARK 200  BEAMLINE                       : PROXIMA 1                          
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9801                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : IMOSFLM                            
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 35049                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.990                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 34.920                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.7                               
REMARK 200  DATA REDUNDANCY                : 3.600                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.08100                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 7.7000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.99                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.10                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.9                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.60                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.30300                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 3.200                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: 1G83                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 65.34                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.55                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 50 MM SODIUM PHOSPHATE PH 6.5, VAPOR     
REMARK 280  DIFFUSION, HANGING DROP, TEMPERATURE 293K                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y,-Z                                                 
REMARK 290       3555   X+1/2,Y+1/2,Z                                           
REMARK 290       4555   -X+1/2,Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   3  1.000000  0.000000  0.000000       44.48250            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       28.93650            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000       44.48250            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       28.93650            
REMARK 290   SMTRY3   4  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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 6620 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 11250 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -71.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 6260 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 10750 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -70.0 KCAL/MOL                        
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   BIOMT1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   2  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   2  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     8                                                      
REMARK 465     SER A     9                                                      
REMARK 465     HIS A    10                                                      
REMARK 465     GLY B     8                                                      
REMARK 465     SER B     9                                                      
REMARK 465     HIS B    10                                                      
REMARK 465     GLY C     8                                                      
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     GLU A  12    CD   OE1  OE2                                       
REMARK 470     LYS A  21    CG   CD   CE   NZ                                   
REMARK 470     ARG A  25    NE   CZ   NH1  NH2                                  
REMARK 470     GLU A  43    CG   CD   OE1  OE2                                  
REMARK 470     LYS A  46    CG   CD   CE   NZ                                   
REMARK 470     LYS A  71    CG   CD   CE   NZ                                   
REMARK 470     ILE A  79    CD1                                                 
REMARK 470     ARG A  98    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A 112    CG   CD   CE   NZ                                   
REMARK 470     LYS B  17    CG   CD   CE   NZ                                   
REMARK 470     LYS B  21    CG   CD   CE   NZ                                   
REMARK 470     ARG B  25    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS B  46    CG   CD   CE   NZ                                   
REMARK 470     ASP B  73    CG   OD1  OD2                                       
REMARK 470     ASN B  74    CB   CG   OD1  ND2                                  
REMARK 470     ARG B  98    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU C  12    CG   CD   OE1  OE2                                  
REMARK 470     LYS C  17    CG   CD   CE   NZ                                   
REMARK 470     LYS C  21    CE   NZ                                             
REMARK 470     ARG C  25    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLN C  26    CG   CD   OE1  NE2                                  
REMARK 470     ASN C  74    CG   OD1  ND2                                       
REMARK 470     ARG C  82    CZ   NH1  NH2                                       
REMARK 470     GLN C  90    CG   CD   OE1  NE2                                  
REMARK 470     ARG C  98    CG   CD   NE   CZ   NH1  NH2                        
REMARK 480                                                                      
REMARK 480 ZERO OCCUPANCY ATOM                                                  
REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO                  
REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS                
REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME;              
REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):         
REMARK 480   M RES C SSEQI ATOMS                                                
REMARK 480     GLU A   97   CD                                                  
REMARK 480     GLU B   97   CD                                                  
REMARK 480     GLU C   97   CD                                                  
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   OD2  ASP C    55     O    HOH C   324              2.16            
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    ALA B 100       57.64     37.14                                   
REMARK 500    ALA C 100       54.30     31.63                                   
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 PO4 A 201                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 202                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 203                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue PO4 B 201                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue PO4 B 202                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue EDO B 203                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue PO4 C 201                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue PO4 C 202                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue PO4 C 203                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue PO4 C 204                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue EDO C 205                 
DBREF  4U17 A   12   112  UNP    P06241   FYN_HUMAN      148    248             
DBREF  4U17 B   12   112  UNP    P06241   FYN_HUMAN      148    248             
DBREF  4U17 C   12   112  UNP    P06241   FYN_HUMAN      148    248             
SEQADV 4U17 GLY A    8  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U17 SER A    9  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U17 HIS A   10  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U17 MET A   11  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U17 GLY B    8  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U17 SER B    9  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U17 HIS B   10  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U17 MET B   11  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U17 GLY C    8  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U17 SER C    9  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U17 HIS C   10  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U17 MET C   11  UNP  P06241              EXPRESSION TAG                 
SEQRES   1 A  105  GLY SER HIS MET GLU TRP TYR PHE GLY LYS LEU GLY ARG          
SEQRES   2 A  105  LYS ASP ALA GLU ARG GLN LEU LEU SER PHE GLY ASN PRO          
SEQRES   3 A  105  ARG GLY THR PHE LEU ILE ARG GLU SER GLU THR THR LYS          
SEQRES   4 A  105  GLY ALA TYR SER LEU SER ILE ARG ASP TRP ASP ASP MET          
SEQRES   5 A  105  LYS GLY ASP HIS VAL LYS HIS TYR LYS ILE ARG LYS LEU          
SEQRES   6 A  105  ASP ASN GLY GLY TYR TYR ILE THR THR ARG ALA GLN PHE          
SEQRES   7 A  105  GLU THR LEU GLN GLN LEU VAL GLN HIS TYR SER GLU ARG          
SEQRES   8 A  105  ALA ALA GLY LEU CYS CYS ARG LEU VAL VAL PRO CYS HIS          
SEQRES   9 A  105  LYS                                                          
SEQRES   1 B  105  GLY SER HIS MET GLU TRP TYR PHE GLY LYS LEU GLY ARG          
SEQRES   2 B  105  LYS ASP ALA GLU ARG GLN LEU LEU SER PHE GLY ASN PRO          
SEQRES   3 B  105  ARG GLY THR PHE LEU ILE ARG GLU SER GLU THR THR LYS          
SEQRES   4 B  105  GLY ALA TYR SER LEU SER ILE ARG ASP TRP ASP ASP MET          
SEQRES   5 B  105  LYS GLY ASP HIS VAL LYS HIS TYR LYS ILE ARG LYS LEU          
SEQRES   6 B  105  ASP ASN GLY GLY TYR TYR ILE THR THR ARG ALA GLN PHE          
SEQRES   7 B  105  GLU THR LEU GLN GLN LEU VAL GLN HIS TYR SER GLU ARG          
SEQRES   8 B  105  ALA ALA GLY LEU CYS CYS ARG LEU VAL VAL PRO CYS HIS          
SEQRES   9 B  105  LYS                                                          
SEQRES   1 C  105  GLY SER HIS MET GLU TRP TYR PHE GLY LYS LEU GLY ARG          
SEQRES   2 C  105  LYS ASP ALA GLU ARG GLN LEU LEU SER PHE GLY ASN PRO          
SEQRES   3 C  105  ARG GLY THR PHE LEU ILE ARG GLU SER GLU THR THR LYS          
SEQRES   4 C  105  GLY ALA TYR SER LEU SER ILE ARG ASP TRP ASP ASP MET          
SEQRES   5 C  105  LYS GLY ASP HIS VAL LYS HIS TYR LYS ILE ARG LYS LEU          
SEQRES   6 C  105  ASP ASN GLY GLY TYR TYR ILE THR THR ARG ALA GLN PHE          
SEQRES   7 C  105  GLU THR LEU GLN GLN LEU VAL GLN HIS TYR SER GLU ARG          
SEQRES   8 C  105  ALA ALA GLY LEU CYS CYS ARG LEU VAL VAL PRO CYS HIS          
SEQRES   9 C  105  LYS                                                          
HET    PO4  A 201       5                                                       
HET    EDO  A 202       4                                                       
HET    EDO  A 203       4                                                       
HET    PO4  B 201       5                                                       
HET    PO4  B 202       5                                                       
HET    EDO  B 203       4                                                       
HET    PO4  C 201       5                                                       
HET    PO4  C 202       5                                                       
HET    PO4  C 203       5                                                       
HET    PO4  C 204       5                                                       
HET    EDO  C 205       4                                                       
HETNAM     PO4 PHOSPHATE ION                                                    
HETNAM     EDO 1,2-ETHANEDIOL                                                   
HETSYN     EDO ETHYLENE GLYCOL                                                  
FORMUL   4  PO4    7(O4 P 3-)                                                   
FORMUL   5  EDO    4(C2 H6 O2)                                                  
FORMUL  15  HOH   *151(H2 O)                                                    
HELIX    1 AA1 GLY A   19  LEU A   28  1                                  10    
HELIX    2 AA2 THR A   87  ARG A   98  1                                  12    
HELIX    3 AA3 GLY B   19  LEU B   28  1                                  10    
HELIX    4 AA4 THR B   87  ARG B   98  1                                  12    
HELIX    5 AA5 GLY C   19  LEU C   28  1                                  10    
HELIX    6 AA6 THR C   87  ARG C   98  1                                  12    
SHEET    1 AA110 VAL A 108  PRO A 109  0                                        
SHEET    2 AA110 THR C  36  GLU C  41  1  O  PHE C  37   N  VAL A 108           
SHEET    3 AA110 TYR C  49  ASP C  55 -1  O  ARG C  54   N  THR C  36           
SHEET    4 AA110 HIS C  63  LYS C  71 -1  O  ILE C  69   N  TYR C  49           
SHEET    5 AA110 TYR C  77  PHE C  85 -1  O  TYR C  78   N  ARG C  70           
SHEET    6 AA110 TYR A  77  PHE A  85 -1  N  TYR A  77   O  PHE C  85           
SHEET    7 AA110 GLY A  61  LYS A  71 -1  N  ARG A  70   O  TYR A  78           
SHEET    8 AA110 TYR A  49  ASP A  57 -1  N  ILE A  53   O  LYS A  65           
SHEET    9 AA110 THR A  36  GLU A  41 -1  N  THR A  36   O  ARG A  54           
SHEET   10 AA110 VAL C 108  PRO C 109  1  O  VAL C 108   N  PHE A  37           
SHEET    1 AA2 4 PHE B  37  GLU B  41  0                                        
SHEET    2 AA2 4 TYR B  49  ASP B  57 -1  O  SER B  52   N  LEU B  38           
SHEET    3 AA2 4 GLY B  61  LYS B  71 -1  O  ILE B  69   N  TYR B  49           
SHEET    4 AA2 4 TYR B  77  ILE B  79 -1  O  TYR B  78   N  ARG B  70           
SITE     1 AC1  7 ARG A  20  ARG A  40  SER A  42  THR A  44                    
SITE     2 AC1  7 SER A  50  LYS A  68  HOH A 340                               
SITE     1 AC2  3 CYS A 110  HIS A 111  ASN C  32                               
SITE     1 AC3  7 THR A  81  ARG A  82  TYR A  95  ALA A 100                    
SITE     2 AC3  7 ILE C  79  THR C  81  HOH C 314                               
SITE     1 AC4  8 ARG B  20  ARG B  40  SER B  42  GLU B  43                    
SITE     2 AC4  8 THR B  44  SER B  50  LYS B  68  HOH B 340                    
SITE     1 AC5  5 ASN B  32  VAL B 108  PRO B 109  CYS B 110                    
SITE     2 AC5  5 HIS B 111                                                     
SITE     1 AC6  5 SER B  96  LEU B 106  VAL B 107  PRO B 109                    
SITE     2 AC6  5 HOH B 346                                                     
SITE     1 AC7  8 ARG C  20  ARG C  40  SER C  42  GLU C  43                    
SITE     2 AC7  8 THR C  44  SER C  50  LYS C  68  HOH C 334                    
SITE     1 AC8  3 GLU C  24  HIS C  63  VAL C  64                               
SITE     1 AC9  5 LYS A 112  MET C  11  GLU C  12  TYR C  14                    
SITE     2 AC9  5 HOH C 336                                                     
SITE     1 AD1  5 ARG A  34  HOH A 314  CYS C 104  ARG C 105                    
SITE     2 AD1  5 VAL C 107                                                     
SITE     1 AD2  3 ASN A  32  CYS C 110  HIS C 111                               
CRYST1   88.965   57.873  101.188  90.00  90.60  90.00 C 1 2 1      12          
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      0.011240  0.000000  0.000117        0.00000                         
SCALE2      0.000000  0.017279  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.009883        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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