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Database: PDB
Entry: 1W6X
LinkDB: 1W6X
Original site: 1W6X 
HEADER    SH3 DOMAIN                              24-AUG-04   1W6X              
TITLE     SH3 DOMAIN OF P40PHOX, COMPONENT OF THE NADPH OXIDASE                 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: NEUTROPHIL CYTOSOL FACTOR 4;                               
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: SH3 DOMAIN, RESIDUES 174-228;                              
COMPND   5 SYNONYM: NCF-4, NEUTROPHIL NADPH OXIDASE FACTOR 4, P40PHOX, P40-PHOX;
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 CELL: NEUTROPHILE;                                                   
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PIVEX2.4                                  
KEYWDS    NADPH OXIDASE, P40PHOX, PHAGOCYTE, SH3 DOMAIN                         
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    C.MASSENET,S.CHENAVAS,C.COHEN-ADDAD,M.-C.DAGHER,G.BRANDOLIN,E.PEBAY-  
AUTHOR   2 PEYROULA,F.FIESCHI                                                   
REVDAT   6   08-MAY-19 1W6X    1       REMARK                                   
REVDAT   5   06-MAR-19 1W6X    1       REMARK                                   
REVDAT   4   13-JUN-18 1W6X    1       JRNL                                     
REVDAT   3   24-FEB-09 1W6X    1       VERSN                                    
REVDAT   2   04-APR-05 1W6X    1       JRNL                                     
REVDAT   1   18-JAN-05 1W6X    0                                                
JRNL        AUTH   C.MASSENET,S.CHENAVAS,C.COHEN-ADDAD,M.-C.DAGHER,G.BRANDOLIN, 
JRNL        AUTH 2 E.PEBAY-PEYROULA,F.FIESCHI                                   
JRNL        TITL   EFFECTS OF P47PHOX C-TERMINUS PHOSPHORYLATION ON BINDING     
JRNL        TITL 2 INTERACTIONS WITH P40PHOX AND P67PHOX: STRUCTURAL AND        
JRNL        TITL 3 FUNCTIONAL COMPARISON OF P40PHOX P67PHOX SH3 DOMAINS         
JRNL        REF    J.BIOL.CHEM.                  V. 280 13752 2005              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   15657040                                                     
JRNL        DOI    10.1074/JBC.M412897200                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.00 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.0                                              
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,              
REMARK   3               : READ,RICE,SIMONSON,WARREN                            
REMARK   3                                                                      
REMARK   3  REFINEMENT TARGET : MAXIMUM LIKELIHOOD                              
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 20.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 10000.000                      
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 98.2                           
REMARK   3   NUMBER OF REFLECTIONS             : 6871                           
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 SET) : 0.248                           
REMARK   3   FREE R VALUE                     : 0.250                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.100                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 356                             
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           : 10                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.00                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.07                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 92.10                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 607                          
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3511                       
REMARK   3   BIN FREE R VALUE                    : 0.4380                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 6.36                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 45                           
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            : 882                                     
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 61                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 32.93                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -0.41700                                             
REMARK   3    B22 (A**2) : 4.57900                                              
REMARK   3    B33 (A**2) : -4.16200                                             
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 11.02800                                             
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.30                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.32                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : 5.00                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : 0.40                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.47                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.007                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.302                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 25.37                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 0.777                           
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : NULL                                      
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.35                                                 
REMARK   3   BSOL        : 49.00                                                
REMARK   3                                                                      
REMARK   3  NCS MODEL : NULL                                                    
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  PARAMETER FILE  1  : PROTEIN_REP.PARAM                              
REMARK   3  PARAMETER FILE  2  : WATER_REP.PARAM                                
REMARK   3  PARAMETER FILE  3  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : NULL                                           
REMARK   3  TOPOLOGY FILE  2   : NULL                                           
REMARK   3  TOPOLOGY FILE  3   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1W6X COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 24-AUG-04.                  
REMARK 100 THE DEPOSITION ID IS D_1290020869.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : NULL                               
REMARK 200  TEMPERATURE           (KELVIN) : 100.0                              
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : NONIUS                             
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.54                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : MAR SCANNER 345 MM PLATE           
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : CCP4                               
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 6876                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.000                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 20.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.1                               
REMARK 200  DATA REDUNDANCY                : 3.400                              
REMARK 200  R MERGE                    (I) : 0.11000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 3.7000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.10                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 90.0                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.80                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.27000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.400                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: AMORE                                                 
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: THE STARTING MODEL CONSISTED OF A SUPERPOSITION OF 8 SH3     
REMARK 200  STRUCTURES 1SEM, 1SHG, 1ABQ, 1FYN, 1I0C,1B07, 1BB9, 1BU1 USING      
REMARK 200  MAIN CHAIN ATOMS                                                    
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 35.52                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.91                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: VAPOR DIFFUSION AT 14 DEGRE C, PROTEIN   
REMARK 280  AT 14 MG/ML, 20 MM HEPES PH 7.5, 150 MM NACL MIXED WITH 40%         
REMARK 280  PEG2K MME, 100 MM AS 200 MM NA AC PH 4.6., TEMPERATURE 287K         
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-Z                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000       22.58000            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PQS                                                   
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PQS                                                   
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     LEU A   169                                                      
REMARK 465     ILE A   170                                                      
REMARK 465     LYS A   171                                                      
REMARK 465     HIS A   172                                                      
REMARK 465     LEU B   169                                                      
REMARK 465     ILE B   170                                                      
REMARK 465     LYS B   171                                                      
REMARK 465     HIS B   172                                                      
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     LYS A 205    CG   CD   CE   NZ                                   
REMARK 470     LYS B 205    CG   CD   CE   NZ                                   
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   OG   SER A   185     O    HOH A  2010              0.00            
REMARK 500   CB   SER A   185     O    HOH A  2010              1.41            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    SER A 201      167.40    167.69                                   
REMARK 500    SER B 201      168.72    168.72                                   
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 A2008        DISTANCE =  6.92 ANGSTROMS                       
REMARK 525    HOH A2013        DISTANCE =  6.55 ANGSTROMS                       
REMARK 525    HOH B2006        DISTANCE =  6.48 ANGSTROMS                       
REMARK 525    HOH B2008        DISTANCE =  7.04 ANGSTROMS                       
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1H6H   RELATED DB: PDB                                   
REMARK 900 STRUCTURE OF THE PX DOMAIN FROM P40PHOX BOUND TO                     
REMARK 900 PHOSPHATIDYLINOSITOL 3-PHOSPHATE                                     
REMARK 900 RELATED ID: 1OEY   RELATED DB: PDB                                   
REMARK 900 HETERODIMER OF P40PHOX AND P67PHOX PB1 DOMAINS FROM HUMAN NADPH      
REMARK 900 OXIDASE                                                              
REMARK 900 RELATED ID: 1W70   RELATED DB: PDB                                   
REMARK 900 SH3 DOMAIN OF P40PHOX COMPLEXED WITH C- TERMINAL POLYPROLINE OF      
REMARK 900 P47PHOX, COMPONENTS OF THE NADPH OXIDASE                             
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 THE STRUCTURE CORRESPONDS ONLY TO THE SH3 DOMAIN                     
DBREF  1W6X A  169   173  PDB    1W6X     1W6X           169    173             
DBREF  1W6X A  174   228  UNP    Q15080   NCF4_HUMAN     174    228             
DBREF  1W6X B  169   173  PDB    1W6X     1W6X           169    173             
DBREF  1W6X B  174   228  UNP    Q15080   NCF4_HUMAN     174    228             
SEQRES   1 A   60  LEU ILE LYS HIS MET ARG ALA GLU ALA LEU PHE ASP PHE          
SEQRES   2 A   60  THR GLY ASN SER LYS LEU GLU LEU ASN PHE LYS ALA GLY          
SEQRES   3 A   60  ASP VAL ILE PHE LEU LEU SER ARG ILE ASN LYS ASP TRP          
SEQRES   4 A   60  LEU GLU GLY THR VAL ARG GLY ALA THR GLY ILE PHE PRO          
SEQRES   5 A   60  LEU SER PHE VAL LYS ILE LEU LYS                              
SEQRES   1 B   60  LEU ILE LYS HIS MET ARG ALA GLU ALA LEU PHE ASP PHE          
SEQRES   2 B   60  THR GLY ASN SER LYS LEU GLU LEU ASN PHE LYS ALA GLY          
SEQRES   3 B   60  ASP VAL ILE PHE LEU LEU SER ARG ILE ASN LYS ASP TRP          
SEQRES   4 B   60  LEU GLU GLY THR VAL ARG GLY ALA THR GLY ILE PHE PRO          
SEQRES   5 B   60  LEU SER PHE VAL LYS ILE LEU LYS                              
FORMUL   3  HOH   *61(H2 O)                                                     
SHEET    1  AA 5 ALA A 215  PRO A 220  0                                        
SHEET    2  AA 5 TRP A 207  VAL A 212 -1  O  LEU A 208   N  PHE A 219           
SHEET    3  AA 5 VAL A 196  ASN A 204 -1  O  PHE A 198   N  THR A 211           
SHEET    4  AA 5 ARG A 174  ALA A 177 -1  O  ALA A 175   N  ILE A 197           
SHEET    5  AA 5 VAL A 224  LEU A 227 -1  O  LYS A 225   N  GLU A 176           
SHEET    1  BA 5 ALA B 215  PRO B 220  0                                        
SHEET    2  BA 5 TRP B 207  VAL B 212 -1  O  LEU B 208   N  PHE B 219           
SHEET    3  BA 5 VAL B 196  ASN B 204 -1  O  PHE B 198   N  THR B 211           
SHEET    4  BA 5 ARG B 174  ALA B 177 -1  O  ALA B 175   N  ILE B 197           
SHEET    5  BA 5 VAL B 224  LEU B 227 -1  O  LYS B 225   N  GLU B 176           
CRYST1   35.160   45.160   35.060  90.00 111.43  90.00 P 1 21 1      4          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.028441  0.000000  0.011163        0.00000                         
SCALE2      0.000000  0.022143  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.030641        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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