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Database: PDB
Entry: 3UF4
LinkDB: 3UF4
Original site: 3UF4 
HEADER    TRANSFERASE                             31-OCT-11   3UF4              
TITLE     CRYSTAL STRUCTURE OF A SH3 AND SH2 DOMAINS OF FYN PROTEIN (PROTO-     
TITLE    2 CONCOGENE TYROSINE-PROTEIN KINASE FYN) FROM MUS MUSCULUS AT 1.98 A   
TITLE    3 RESOLUTION                                                           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: TYROSINE-PROTEIN KINASE FYN, ISOFORM 2;                    
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: PROTO-ONCOGENE C-FYN, P59-FYN;                              
COMPND   5 EC: 2.7.10.2;                                                        
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
SOURCE   4 ORGANISM_TAXID: 10090;                                               
SOURCE   5 GENE: BC092217, FYN;                                                 
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: HK100;                                     
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: SPEEDET                                   
KEYWDS    PHOSPHORYLATION, HOST-VIRUS INTERACTION, PROTEIN-TYROSINE KINASES,    
KEYWDS   2 SRC HOMOLOGY DOMAINS, SRC-FAMILY KINASES, STRUCTURAL GENOMICS, JOINT 
KEYWDS   3 CENTER FOR STRUCTURAL GENOMICS, JCSG, PROTEIN STRUCTURE INITIATIVE,  
KEYWDS   4 PSI-BIOLOGY, TRANSFERASE, PARTNERSHIP FOR T-CELL BIOLOGY, TCELL      
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG),PARTNERSHIP FOR T-CELL    
AUTHOR   2 BIOLOGY (TCELL)                                                      
REVDAT   3   08-NOV-17 3UF4    1       REMARK                                   
REVDAT   2   21-OCT-15 3UF4    1       AUTHOR                                   
REVDAT   1   07-DEC-11 3UF4    0                                                
JRNL        AUTH   JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG),                 
JRNL        AUTH 2 PARTNERSHIP FOR T-CELL BIOLOGY (TCELL)                       
JRNL        TITL   CRYSTAL STRUCTURE OF A SH3 AND SH2 DOMAINS OF FYN PROTEIN    
JRNL        TITL 2 (PROTO-CONCOGENE TYROSINE-PROTEIN KINASE FYN) FROM MUS       
JRNL        TITL 3 MUSCULUS AT 1.98 A RESOLUTION                                
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.98 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : BUSTER-TNT 2.10.0                                    
REMARK   3   AUTHORS     : BRICOGNE,BLANC,BRANDL,FLENSBURG,KELLER,              
REMARK   3               : PACIOREK,ROVERSI,SMART,VONRHEIN,WOMACK,              
REMARK   3               : MATTHEWS,TEN EYCK,TRONRUD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.98                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 43.88                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 14932                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD           : THROUGHOUT                     
REMARK   3   FREE R VALUE TEST SET SELECTION   : RANDOM                         
REMARK   3   R VALUE     (WORKING + TEST SET)  : 0.201                          
REMARK   3   R VALUE            (WORKING SET)  : 0.200                          
REMARK   3   FREE R VALUE                      : 0.224                          
REMARK   3   FREE R VALUE TEST SET SIZE   (%)  : 5.020                          
REMARK   3   FREE R VALUE TEST SET COUNT       : 749                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE   : NULL                           
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED               : 8                        
REMARK   3   BIN RESOLUTION RANGE HIGH   (ANGSTROMS) : 1.98                     
REMARK   3   BIN RESOLUTION RANGE LOW    (ANGSTROMS) : 2.12                     
REMARK   3   BIN COMPLETENESS (WORKING+TEST)     (%) : 97.59                    
REMARK   3   REFLECTIONS IN BIN (WORKING + TEST SET) : 2580                     
REMARK   3   BIN R VALUE        (WORKING + TEST SET) : 0.2678                   
REMARK   3   REFLECTIONS IN BIN        (WORKING SET) : 2441                     
REMARK   3   BIN R VALUE               (WORKING SET) : 0.2679                   
REMARK   3   BIN FREE R VALUE                        : 0.2649                   
REMARK   3   BIN FREE R VALUE TEST SET SIZE      (%) : 5.39                     
REMARK   3   BIN FREE R VALUE TEST SET COUNT         : 139                      
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE     : NULL                     
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1298                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 15                                      
REMARK   3   SOLVENT ATOMS            : 87                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 32.89                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 47.72                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 2.79810                                              
REMARK   3    B22 (A**2) : -2.21320                                             
REMARK   3    B33 (A**2) : -0.58490                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : -0.20910                                             
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT                    (A) : 0.327               
REMARK   3   DPI (BLOW EQ-10) BASED ON R VALUE        (A) : NULL                
REMARK   3   DPI (BLOW EQ-9) BASED ON FREE R VALUE    (A) : NULL                
REMARK   3   DPI (CRUICKSHANK) BASED ON R VALUE       (A) : NULL                
REMARK   3   DPI (CRUICKSHANK) BASED ON FREE R VALUE  (A) : NULL                
REMARK   3                                                                      
REMARK   3   REFERENCES: BLOW, D. (2002) ACTA CRYST D58, 792-797                
REMARK   3               CRUICKSHANK, D.W.J. (1999) ACTA CRYST D55, 583-601     
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.950                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.934                         
REMARK   3                                                                      
REMARK   3   NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15                    
REMARK   3   TERM                          COUNT    WEIGHT   FUNCTION.          
REMARK   3    BOND LENGTHS              : 1375   ; 2.000  ; HARMONIC            
REMARK   3    BOND ANGLES               : 1867   ; 2.000  ; HARMONIC            
REMARK   3    TORSION ANGLES            : 642    ; 6.000  ; SINUSOIDAL          
REMARK   3    TRIGONAL CARBON PLANES    : 41     ; 2.000  ; HARMONIC            
REMARK   3    GENERAL PLANES            : 205    ; 5.000  ; HARMONIC            
REMARK   3    ISOTROPIC THERMAL FACTORS : 1375   ; 20.000 ; HARMONIC            
REMARK   3    BAD NON-BONDED CONTACTS   : 1      ; 5.000  ; SEMIHARMONIC        
REMARK   3    IMPROPER TORSIONS         : NULL   ; NULL   ; NULL                
REMARK   3    PSEUDOROTATION ANGLES     : NULL   ; NULL   ; NULL                
REMARK   3    CHIRAL IMPROPER TORSION   : 173    ; 5.000  ; SEMIHARMONIC        
REMARK   3    SUM OF OCCUPANCIES        : NULL   ; NULL   ; NULL                
REMARK   3    UTILITY DISTANCES         : NULL   ; NULL   ; NULL                
REMARK   3    UTILITY ANGLES            : NULL   ; NULL   ; NULL                
REMARK   3    UTILITY TORSION           : NULL   ; NULL   ; NULL                
REMARK   3    IDEAL-DIST CONTACT TERM   : 1519   ; 4.000  ; SEMIHARMONIC        
REMARK   3                                                                      
REMARK   3   RMS DEVIATIONS FROM IDEAL VALUES.                                  
REMARK   3    BOND LENGTHS                       (A) : 0.010                    
REMARK   3    BOND ANGLES                  (DEGREES) : 1.03                     
REMARK   3    PEPTIDE OMEGA TORSION ANGLES (DEGREES) : 3.76                     
REMARK   3    OTHER TORSION ANGLES         (DEGREES) : 2.17                     
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: { A|85 - A|244 }                                       
REMARK   3    ORIGIN FOR THE GROUP (A):   21.1161    0.6251    7.4840           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:    0.0115 T22:   -0.0937                                    
REMARK   3     T33:   -0.0416 T12:    0.0194                                    
REMARK   3     T13:   -0.0412 T23:   -0.0282                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    1.6568 L22:    1.2490                                    
REMARK   3     L33:    2.5932 L12:    1.3756                                    
REMARK   3     L13:    1.7550 L23:    0.9993                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0598 S12:   -0.1308 S13:   -0.0258                     
REMARK   3     S21:   -0.0067 S22:   -0.0633 S23:    0.0544                     
REMARK   3     S31:    0.0903 S32:   -0.3637 S33:    0.0035                     
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: 1. A MET-INHIBITION PROTOCOL WAS USED     
REMARK   3  FOR SELENOMETHIONINE INCORPORATION DURING PROTEIN EXPRESSION.       
REMARK   3  HOWEVER, THE SE-MET SIDE-CHAIN IS DISORDERED. 2. ATOM RECORD        
REMARK   3  CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD           
REMARK   3  CONTAINS SUM OF TLS AND RESIDUAL U FACTORS. 3. GLYCEROL, SODIUM     
REMARK   3  AND CHLORIDE MODELED IS PRESENT IN CRYO/CRYSTALLIZATION             
REMARK   3  CONDITIONS.                                                         
REMARK   4                                                                      
REMARK   4 3UF4 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-NOV-11.                  
REMARK 100 THE DEPOSITION ID IS D_1000068675.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 08-SEP-11                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ALS                                
REMARK 200  BEAMLINE                       : 8.2.2                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9793                             
REMARK 200  MONOCHROMATOR                  : DOUBLE CRYSTAL SI(111)             
REMARK 200  OPTICS                         : KOHZU: DOUBLE CRYSTAL SI(111)      
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : XSCALE DECEMBER 6, 2010            
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 14960                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.980                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 43.876                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.8                               
REMARK 200  DATA REDUNDANCY                : NULL                               
REMARK 200  R MERGE                    (I) : 0.05800                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 15.7300                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.98                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.05                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 96.9                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.81100                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.800                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: MOLREP                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 57.40                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.89                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 4.3M NACL, 0.1M HEPES PH 7.5,            
REMARK 280  NANODROP, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K           
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       69.11000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       17.98000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000       69.11000            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       17.98000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     GLY A     0                                                      
REMARK 465     THR A    82                                                      
REMARK 465     GLY A    83                                                      
REMARK 465     VAL A    84                                                      
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     ASP A 194    CG   OD1  OD2                                       
REMARK 470     MSE A 195    CG  SE    CE                                        
REMARK 470     PHE A 240    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    MSE A 195      -72.16    -70.63                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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 601  NA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GLU A 147   O                                                      
REMARK 620 2 HOH A 647   O    97.4                                              
REMARK 620 3 GLN A 145   O   103.7 157.5                                        
REMARK 620 4 HOH A 607   O   174.0  76.7  82.1                                  
REMARK 620 5 TYR A 150   O    91.0  71.3 115.4  87.8                            
REMARK 620 6 HOH A 689   O    84.7  82.4  91.9  93.6 152.6                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 601                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 602                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 603                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 604                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 605                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 422854   RELATED DB: TARGETDB                            
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 THE CONSTRUCT (RESIDUES 82-244) WAS EXPRESSED WITH AN N-TERMINAL     
REMARK 999 EXPRESSION / PURIFICATION TAG                                        
REMARK 999 MGSDKIHHHHHHAEIGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYVWRNIIPHVA  
REMARK 999 PTHRCIAPDLIGMGKSDKPDLGYFFDDHVRFMDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERV  
REMARK 999 KGIAFMEFIRPIPTWDEWPEFARETFQAFRTTDVGRKLIIDQNVFIEGTLPMGVVRPLTEVEMDHYR  
REMARK 999 EPFLNPVDREPLWRFPNELPIAGEPANIVALVEEYMDWLHQSPVPKLLFWGTPGVLIPPAEAARLAK  
REMARK 999 SLPNCKAVDIGPGLNLLQEDNPDLIGSEIARWLSTLEISGEPTTHENLYFQG. THE TAG WAS    
REMARK 999 REMOVED WITH TEV PROTEASE LEAVING ONLY A GLYCINE (0) FOLLOWED BY     
REMARK 999 THE TARGET SEQUENCE. WHILE THE CLONED SEQUENCE MATCHES ISOFORM 2     
REMARK 999 (ALSO KNOWN AS T) FOR UNIPROTKB ID P39688, RESIDUE NUMBERING IS      
REMARK 999 BASED ON THE UNIPROT "CANONICAL" ISOFORM 1 (ALSO KNOWN AS B).        
DBREF  3UF4 A   82   244  UNP    P39688   FYN_MOUSE       82    244             
SEQADV 3UF4 GLY A    0  UNP  P39688              LEADER SEQUENCE                
SEQADV 3UF4 GLU A  179  UNP  P39688    GLN   179 CONFLICT                       
SEQRES   1 A  164  GLY THR GLY VAL THR LEU PHE VAL ALA LEU TYR ASP TYR          
SEQRES   2 A  164  GLU ALA ARG THR GLU ASP ASP LEU SER PHE HIS LYS GLY          
SEQRES   3 A  164  GLU LYS PHE GLN ILE LEU ASN SER SER GLU GLY ASP TRP          
SEQRES   4 A  164  TRP GLU ALA ARG SER LEU THR THR GLY GLU THR GLY TYR          
SEQRES   5 A  164  ILE PRO SER ASN TYR VAL ALA PRO VAL ASP SER ILE GLN          
SEQRES   6 A  164  ALA GLU GLU TRP TYR PHE GLY LYS LEU GLY ARG LYS ASP          
SEQRES   7 A  164  ALA GLU ARG GLN LEU LEU SER PHE GLY ASN PRO ARG GLY          
SEQRES   8 A  164  THR PHE LEU ILE ARG GLU SER GLU THR THR LYS GLY ALA          
SEQRES   9 A  164  TYR SER LEU SER ILE ARG ASP TRP ASP ASP MSE LYS GLY          
SEQRES  10 A  164  ASP HIS VAL LYS HIS TYR LYS ILE ARG LYS LEU ASP ASN          
SEQRES  11 A  164  GLY GLY TYR TYR ILE THR THR ARG ALA GLN PHE GLU THR          
SEQRES  12 A  164  LEU GLN GLN LEU VAL GLN HIS TYR SER GLU LYS ALA ASP          
SEQRES  13 A  164  GLY LEU CYS PHE ASN LEU THR VAL                              
MODRES 3UF4 MSE A  195  MET  SELENOMETHIONINE                                   
HET    MSE  A 195       5                                                       
HET     NA  A 601       1                                                       
HET     CL  A 602       1                                                       
HET     CL  A 603       1                                                       
HET    GOL  A 604       6                                                       
HET    GOL  A 605       6                                                       
HETNAM     MSE SELENOMETHIONINE                                                 
HETNAM      NA SODIUM ION                                                       
HETNAM      CL CHLORIDE ION                                                     
HETNAM     GOL GLYCEROL                                                         
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   1  MSE    C5 H11 N O2 SE                                               
FORMUL   2   NA    NA 1+                                                        
FORMUL   3   CL    2(CL 1-)                                                     
FORMUL   5  GOL    2(C3 H8 O3)                                                  
FORMUL   7  HOH   *87(H2 O)                                                     
HELIX    1   1 GLY A  155  LEU A  164  1                                  10    
HELIX    2   2 THR A  223  LYS A  234  1                                  12    
SHEET    1   A 5 THR A 130  PRO A 134  0                                        
SHEET    2   A 5 TRP A 119  SER A 124 -1  N  ALA A 122   O  GLY A 131           
SHEET    3   A 5 LYS A 108  ASN A 113 -1  N  GLN A 110   O  ARG A 123           
SHEET    4   A 5 PHE A  87  ALA A  89 -1  N  PHE A  87   O  PHE A 109           
SHEET    5   A 5 VAL A 138  PRO A 140 -1  O  ALA A 139   N  VAL A  88           
SHEET    1   B 4 PHE A 173  GLU A 177  0                                        
SHEET    2   B 4 TYR A 185  TRP A 192 -1  O  SER A 186   N  ARG A 176           
SHEET    3   B 4 ASP A 198  LYS A 207 -1  O  ILE A 205   N  TYR A 185           
SHEET    4   B 4 TYR A 213  TYR A 214 -1  O  TYR A 214   N  ARG A 206           
LINK         C   ASP A 194                 N   MSE A 195     1555   1555  1.36  
LINK         C   MSE A 195                 N   LYS A 196     1555   1555  1.34  
LINK         O   GLU A 147                NA    NA A 601     1555   1555  2.23  
LINK        NA    NA A 601                 O   HOH A 647     1555   1555  2.36  
LINK         O   GLN A 145                NA    NA A 601     1555   1555  2.64  
LINK        NA    NA A 601                 O   HOH A 607     1555   1555  2.67  
LINK         O   TYR A 150                NA    NA A 601     1555   1555  2.70  
LINK        NA    NA A 601                 O   HOH A 689     1555   1555  3.05  
SITE     1 AC1  6 GLN A 145  GLU A 147  TYR A 150  HOH A 607                    
SITE     2 AC1  6 HOH A 647  HOH A 689                                          
SITE     1 AC2  2 TYR A  91  ASP A  92                                          
SITE     1 AC3  3 TYR A  93  GLU A  94  HOH A 621                               
SITE     1 AC4  3 SER A 114  TRP A 120  THR A 126                               
SITE     1 AC5  3 TYR A  91  ASN A 136  TYR A 137                               
CRYST1  138.220   35.960   43.960  90.00  93.56  90.00 C 1 2 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      0.007235  0.000000  0.000450        0.00000                         
SCALE2      0.000000  0.027809  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.022792        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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