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Database: PDB
Entry: 4U1P
LinkDB: 4U1P
Original site: 4U1P 
HEADER    TRANSFERASE                             16-JUL-14   4U1P              
TITLE     HUMAN FYN-SH2 DOMAIN IN COMPLEX WITH A SYNTHETIC HIGH-AFFINITY        
TITLE    2 PHOSPHO-PEPTIDE                                                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: TYROSINE-PROTEIN KINASE FYN;                               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: HUMAN FYN-SH2 DOMAIN, 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;                                                     
COMPND   9 MOL_ID: 2;                                                           
COMPND  10 MOLECULE: MIDDLE T ANTIGEN;                                          
COMPND  11 CHAIN: B;                                                            
COMPND  12 FRAGMENT: RESIDUES 320-330;                                          
COMPND  13 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;                                     
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 SYNTHETIC: YES;                                                      
SOURCE  10 ORGANISM_SCIENTIFIC: HAMSTER POLYOMAVIRUS;                           
SOURCE  11 ORGANISM_COMMON: HAPYV;                                              
SOURCE  12 ORGANISM_TAXID: 1891729                                              
KEYWDS    SH2 DOMAIN, PROTEIN PEPTIDE INTERACTIONS, ALLOSTERY, TYROSINE         
KEYWDS   2 PHOSPHORYLATION, FYN, KINASE, TRANSFERASE                            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    A.GARCIA-PINO,R.HUCULECI,T.LENAERTS,N.A.J.VAN NULAND                  
REVDAT   2   07-FEB-18 4U1P    1       SOURCE                                   
REVDAT   1   29-JUL-15 4U1P    0                                                
JRNL        AUTH   A.GARCIA-PINO,R.HUCULECI,T.LENAERTS,N.A.J.VAN NULAND         
JRNL        TITL   HUMAN FYN-SH2 DOMAIN IN COMPLEX WITH A SYNTHETIC             
JRNL        TITL 2 HIGH-AFFINITY PHOSPHO-PEPTIDE                                
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.40 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) : 1.40                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 23.00                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 23343                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.153                           
REMARK   3   R VALUE            (WORKING SET) : 0.151                           
REMARK   3   FREE R VALUE                     : 0.188                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.140                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1200                            
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 23.3477 -  2.9111    0.99     2682   134  0.1435 0.1923        
REMARK   3     2  2.9111 -  2.3113    1.00     2485   134  0.1661 0.2030        
REMARK   3     3  2.3113 -  2.0193    1.00     2503   126  0.1492 0.1624        
REMARK   3     4  2.0193 -  1.8348    1.00     2438   138  0.1485 0.1903        
REMARK   3     5  1.8348 -  1.7033    1.00     2415   141  0.1454 0.1817        
REMARK   3     6  1.7033 -  1.6029    1.00     2427   132  0.1464 0.1751        
REMARK   3     7  1.6029 -  1.5226    1.00     2413   135  0.1494 0.1758        
REMARK   3     8  1.5226 -  1.4564    1.00     2390   119  0.1673 0.2003        
REMARK   3     9  1.4564 -  1.4003    1.00     2390   141  0.1739 0.1927        
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)     : 0.120            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 16.750           
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      :  0.010           1008                                  
REMARK   3   ANGLE     :  1.301           1363                                  
REMARK   3   CHIRALITY :  0.052            137                                  
REMARK   3   PLANARITY :  0.007            176                                  
REMARK   3   DIHEDRAL  : 12.822            390                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 5                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 4:9)                                
REMARK   3    ORIGIN FOR THE GROUP (A):  33.2919   6.0950  44.4178              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3822 T22:   0.3143                                     
REMARK   3      T33:   0.2335 T12:  -0.0946                                     
REMARK   3      T13:  -0.1390 T23:   0.1016                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.9039 L22:   2.0000                                     
REMARK   3      L33:   7.0241 L12:  -4.2283                                     
REMARK   3      L13:  -7.8831 L23:   3.0792                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2299 S12:  -1.1535 S13:  -0.2448                       
REMARK   3      S21:   0.6769 S22:  -0.0093 S23:  -0.0879                       
REMARK   3      S31:  -0.3513 S32:   0.9843 S33:   0.2402                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 10:37)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  14.4991   8.2548  55.8889              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1142 T22:   0.1574                                     
REMARK   3      T33:   0.1173 T12:   0.0157                                     
REMARK   3      T13:  -0.0098 T23:   0.0358                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.7807 L22:   2.1655                                     
REMARK   3      L33:   0.4630 L12:   0.9816                                     
REMARK   3      L13:  -0.3678 L23:  -0.5553                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0590 S12:   0.2390 S13:   0.3895                       
REMARK   3      S21:  -0.1121 S22:  -0.0252 S23:   0.1357                       
REMARK   3      S31:  -0.0549 S32:  -0.0798 S33:  -0.0443                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 38:71)                              
REMARK   3    ORIGIN FOR THE GROUP (A):  11.3427   1.9749  62.6766              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0696 T22:   0.1040                                     
REMARK   3      T33:   0.0693 T12:   0.0013                                     
REMARK   3      T13:   0.0022 T23:   0.0037                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7842 L22:   2.8024                                     
REMARK   3      L33:   2.4800 L12:  -0.1697                                     
REMARK   3      L13:  -0.3355 L23:  -0.1238                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0894 S12:  -0.1972 S13:  -0.0424                       
REMARK   3      S21:   0.1945 S22:  -0.0755 S23:   0.0600                       
REMARK   3      S31:   0.0066 S32:  -0.0638 S33:  -0.0193                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: (CHAIN A AND RESID 72:112)                             
REMARK   3    ORIGIN FOR THE GROUP (A):  24.5067  -1.0509  61.3090              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0767 T22:   0.0934                                     
REMARK   3      T33:   0.0925 T12:   0.0033                                     
REMARK   3      T13:  -0.0073 T23:   0.0206                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.4533 L22:   1.3846                                     
REMARK   3      L33:   1.2742 L12:   0.1574                                     
REMARK   3      L13:  -0.4986 L23:   0.3390                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0481 S12:  -0.1016 S13:  -0.1149                       
REMARK   3      S21:  -0.0223 S22:   0.0081 S23:  -0.1565                       
REMARK   3      S31:   0.0248 S32:   0.1225 S33:  -0.0516                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: (CHAIN B AND RESID 1:11)                               
REMARK   3    ORIGIN FOR THE GROUP (A):  20.2479  -1.2604  72.2912              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2011 T22:   0.1910                                     
REMARK   3      T33:   0.1365 T12:   0.0197                                     
REMARK   3      T13:  -0.0044 T23:   0.0317                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.6661 L22:   6.6682                                     
REMARK   3      L33:   0.8433 L12:  -4.3872                                     
REMARK   3      L13:   1.3218 L23:  -1.9591                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2286 S12:  -0.5435 S13:  -0.1906                       
REMARK   3      S21:   0.7376 S22:   0.2905 S23:   0.0642                       
REMARK   3      S31:  -0.1694 S32:   0.0279 S33:  -0.0918                       
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 4U1P COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 16-JUL-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000202666.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 30-AUG-10                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ESRF                               
REMARK 200  BEAMLINE                       : ID23-2                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.93340                            
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 : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 23359                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.400                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 23.340                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : 14.70                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 24.4300                            
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) : 1.45                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 13.30                              
REMARK 200  R MERGE FOR SHELL          (I) : 0.36100                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 7.730                              
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: 1G83                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 31.39                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.79                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M MOPS/NA HEPES PH 7.5, 0.12 M       
REMARK 280  MONOSACCHARIDE MIXTURE, PEG 1000, 12.5%(W/V) PEG 3350 AND 12.5%     
REMARK 280  (V/V) MPD, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K          
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -Y+1/2,X+1/2,Z+3/4                                      
REMARK 290       4555   Y+1/2,-X+1/2,Z+1/4                                      
REMARK 290       5555   -X+1/2,Y+1/2,-Z+3/4                                     
REMARK 290       6555   X+1/2,-Y+1/2,-Z+1/4                                     
REMARK 290       7555   Y,X,-Z                                                  
REMARK 290       8555   -Y,-X,-Z+1/2                                            
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       72.59950            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000       19.62400            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       19.62400            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000      108.89925            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       19.62400            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       19.62400            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       36.29975            
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       19.62400            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       19.62400            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000      108.89925            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       19.62400            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       19.62400            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       36.29975            
REMARK 290   SMTRY1   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   7  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000       72.59950            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1170 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 7280 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -18.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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     MET A     1                                                      
REMARK 465     GLY A     2                                                      
REMARK 465     SER A     3                                                      
REMARK 465     SER A     4                                                      
REMARK 465     HIS A     5                                                      
REMARK 465     HIS A     6                                                      
REMARK 465     HIS A     7                                                      
REMARK 465     HIS A     8                                                      
REMARK 465     GLY A    13                                                      
REMARK 465     LEU A    14                                                      
REMARK 465     VAL A    15                                                      
REMARK 465     PRO A    16                                                      
REMARK 465     ARG A    17                                                      
REMARK 465     GLY A    18                                                      
REMARK 465     SER A    19                                                      
REMARK 465     HIS A    20                                                      
REMARK 465     LYS A   122                                                      
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     SER A  11    CB   OG                                             
REMARK 470     SER A  12    CB   OG                                             
REMARK 470     GLU A  22    CG   CD   OE1  OE2                                  
REMARK 470     LYS A  31    CG   CD   CE   NZ                                   
REMARK 470     LYS A  56    CB   CG   CD   CE   NZ                              
REMARK 470     LYS A  70    NZ                                                  
REMARK 470     HIS A 121    CG   ND1  CD2  CE1  NE2                             
REMARK 470     GLU B   1    CD   OE1  OE2                                       
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O    HOH A   422     O    HOH A   459              2.05            
REMARK 500   O    LEU A    28     O    HOH A   459              2.07            
REMARK 500   NE2  GLN A    36     O    HOH A   301              2.10            
REMARK 500   O    HOH A   319     O    HOH A   320              2.19            
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   O    HOH A   380     O    HOH A   380     7646     2.12            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH A 408        DISTANCE =  7.05 ANGSTROMS                       
REMARK 525    HOH A 436        DISTANCE =  6.34 ANGSTROMS                       
REMARK 525    HOH A 447        DISTANCE =  6.29 ANGSTROMS                       
REMARK 525    HOH A 455        DISTANCE =  6.21 ANGSTROMS                       
REMARK 610                                                                      
REMARK 610 MISSING HETEROATOM                                                   
REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 610 I=INSERTION CODE):                                                   
REMARK 610   M RES C SSEQI                                                      
REMARK 610     15P A  201                                                       
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              NA A 202  NA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GLN A  36   O                                                      
REMARK 620 2 SER A  39   OG   51.6                                              
REMARK 620 3 HIS A 121   O   124.8 127.3                                        
REMARK 620 N                    1     2                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue 15P A 201                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue NA A 202                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4U17   RELATED DB: PDB                                   
REMARK 900 A SWAPPED DIMER VARIANT OF THIS PROTEIN                              
DBREF  4U1P A   22   122  UNP    P06241   FYN_HUMAN      148    248             
DBREF  4U1P B    1    11  UNP    K0F5T5   K0F5T5_POVHA   320    330             
SEQADV 4U1P MET A    1  UNP  P06241              INITIATING METHIONINE          
SEQADV 4U1P GLY A    2  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U1P SER A    3  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U1P SER A    4  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U1P HIS A    5  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U1P HIS A    6  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U1P HIS A    7  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U1P HIS A    8  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U1P HIS A    9  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U1P HIS A   10  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U1P SER A   11  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U1P SER A   12  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U1P GLY A   13  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U1P LEU A   14  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U1P VAL A   15  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U1P PRO A   16  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U1P ARG A   17  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U1P GLY A   18  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U1P SER A   19  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U1P HIS A   20  UNP  P06241              EXPRESSION TAG                 
SEQADV 4U1P MET A   21  UNP  P06241              EXPRESSION TAG                 
SEQRES   1 A  122  MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY          
SEQRES   2 A  122  LEU VAL PRO ARG GLY SER HIS MET GLU TRP TYR PHE GLY          
SEQRES   3 A  122  LYS LEU GLY ARG LYS ASP ALA GLU ARG GLN LEU LEU SER          
SEQRES   4 A  122  PHE GLY ASN PRO ARG GLY THR PHE LEU ILE ARG GLU SER          
SEQRES   5 A  122  GLU THR THR LYS GLY ALA TYR SER LEU SER ILE ARG ASP          
SEQRES   6 A  122  TRP ASP ASP MET LYS GLY ASP HIS VAL LYS HIS TYR LYS          
SEQRES   7 A  122  ILE ARG LYS LEU ASP ASN GLY GLY TYR TYR ILE THR THR          
SEQRES   8 A  122  ARG ALA GLN PHE GLU THR LEU GLN GLN LEU VAL GLN HIS          
SEQRES   9 A  122  TYR SER GLU ARG ALA ALA GLY LEU CYS CYS ARG LEU VAL          
SEQRES  10 A  122  VAL PRO CYS HIS LYS                                          
SEQRES   1 B   11  GLU PRO GLN PTR GLU GLU ILE PRO ILE TYR LEU                  
MODRES 4U1P PTR B    4  TYR  MODIFIED RESIDUE                                   
HET    PTR  B   4      16                                                       
HET    15P  A 201      11                                                       
HET     NA  A 202       1                                                       
HETNAM     PTR O-PHOSPHOTYROSINE                                                
HETNAM     15P POLYETHYLENE GLYCOL (N=34)                                       
HETNAM      NA SODIUM ION                                                       
HETSYN     PTR PHOSPHONOTYROSINE                                                
HETSYN     15P PEG 1500                                                         
FORMUL   2  PTR    C9 H12 N O6 P                                                
FORMUL   3  15P    C69 H140 O35                                                 
FORMUL   4   NA    NA 1+                                                        
FORMUL   5  HOH   *185(H2 O)                                                    
HELIX    1 AA1 GLY A   29  LEU A   38  1                                  10    
HELIX    2 AA2 THR A   97  ARG A  108  1                                  12    
SHEET    1 AA1 6 GLN A  94  PHE A  95  0                                        
SHEET    2 AA1 6 TYR A  87  TYR A  88 -1  N  TYR A  87   O  PHE A  95           
SHEET    3 AA1 6 GLY A  71  LYS A  81 -1  N  ARG A  80   O  TYR A  88           
SHEET    4 AA1 6 TYR A  59  ASP A  67 -1  N  ASP A  65   O  HIS A  73           
SHEET    5 AA1 6 THR A  46  GLU A  51 -1  N  THR A  46   O  ARG A  64           
SHEET    6 AA1 6 VAL A 118  PRO A 119  1  O  VAL A 118   N  PHE A  47           
LINK         O   GLN A  36                NA    NA A 202     1555   1555  3.01  
LINK         OG ASER A  39                NA    NA A 202     1555   1555  3.13  
LINK         O   HIS A 121                NA    NA A 202     1555   1555  3.12  
LINK         C   GLN B   3                 N   PTR B   4     1555   1555  1.33  
LINK         C   PTR B   4                 N   GLU B   5     1555   1555  1.33  
SITE     1 AC1  8 GLU A  22  TYR A  24  ARG A  44  ARG A 115                    
SITE     2 AC1  8 HIS A 121  HOH A 303  HOH A 348  HOH A 466                    
SITE     1 AC2  6 GLN A  36  SER A  39  ASN A  42  ARG A 115                    
SITE     2 AC2  6 CYS A 120  HIS A 121                                          
CRYST1   39.248   39.248  145.199  90.00  90.00  90.00 P 43 21 2     8          
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      0.025479  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.025479  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.006887        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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