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Database: PDB
Entry: 1QO6
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Original site: 1QO6 
HEADER    CELL ADHESION PROTEIN                   04-NOV-99   1QO6              
TITLE     SOLUTION STRUCTURE OF A PAIR OF MODULES FROM THE GELATIN-BINDING      
TITLE    2 DOMAIN OF FIBRONECTIN                                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: FIBRONECTIN;                                               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: FIBRONECTIN TYPE-I AND FIBRONECTIN TYPE-II MODULE PAIR FROM
COMPND   5 COLLAGEN-BINDING DOMAIN;                                             
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 EXPRESSION_SYSTEM: PICHIA PASTORIS;                                  
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 4922;                                       
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: GS115                                      
KEYWDS    CELL ADHESION PROTEIN, FIBRONECTIN MODULE PAIR, GELATIN-BINDING       
EXPDTA    SOLUTION NMR                                                          
NUMMDL    55                                                                    
AUTHOR    A.A.BOCQUIER,J.R.POTTS,A.R.PICKFORD,I.D.CAMPBELL                      
REVDAT   3   17-JAN-18 1QO6    1       REMARK                                   
REVDAT   2   24-FEB-09 1QO6    1       VERSN                                    
REVDAT   1   11-JAN-00 1QO6    0                                                
JRNL        AUTH   A.A.BOCQUIER,J.R.POTTS,A.R.PICKFORD,I.D.CAMPBELL             
JRNL        TITL   SOLUTION STRUCTURE OF A PAIR OF MODULES FROM THE             
JRNL        TITL 2 GELATIN-BINDING DOMAIN OF FIBRONECTIN                        
JRNL        REF    STRUCTURE                     V.   7  1451 1999              
JRNL        REFN                   ISSN 0969-2126                               
JRNL        PMID   10647176                                                     
JRNL        DOI    10.1016/S0969-2126(00)88336-7                                
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.851                                         
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN THE    
REMARK   3  JOURNAL CITATION ABOVE                                              
REMARK   4                                                                      
REMARK   4 1QO6 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 04-NOV-99.                  
REMARK 100 THE DEPOSITION ID IS D_1290004354.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 310                                
REMARK 210  PH                             : 4.5                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : NULL                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : COSY; TOCSY; NOESY; NOESY-HSQC;    
REMARK 210                                   TOCSY-HSQC                         
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ; 750 MHZ                   
REMARK 210  SPECTROMETER MODEL             : NULL                               
REMARK 210  SPECTROMETER MANUFACTURER      : OXFORD                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XPLOR 3.851                        
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 55                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : LOW ENERGY AND AGREEMENT WITH      
REMARK 210                                   EXPERIMENTAL RESTRAINTS            
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: THE FAMILY OF STRUCTURES HAS BEEN ALIGNED USING THE C, CA,   
REMARK 210  N ATOMS OF RESIDUES LEU19, LEU28, PRO59 AND TYR68 OF THE            
REMARK 210  INTERMODULE INTERFACE.                                              
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
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 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 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
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   H    THR A    30     O    SER A    37              1.57            
REMARK 500   H    CYS A    82     O    SER A    95              1.58            
REMARK 500   H    VAL A    57     O    SER A    83              1.58            
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  1 TYR A  12     -172.17    -64.75                                   
REMARK 500  1 VAL A  14       87.12    -43.18                                   
REMARK 500  1 MET A  16       51.41   -114.88                                   
REMARK 500  1 GLN A  17      128.86    -31.35                                   
REMARK 500  1 ASN A  24      -35.23    179.51                                   
REMARK 500  1 LEU A  32      -96.89    -79.50                                   
REMARK 500  1 THR A  41      -53.57     75.39                                   
REMARK 500  1 ALA A  42      -62.23     71.55                                   
REMARK 500  1 VAL A  43     -178.76    -67.45                                   
REMARK 500  1 PRO A  55       98.83    -62.18                                   
REMARK 500  1 CYS A  56      171.82    -49.02                                   
REMARK 500  1 ARG A  65     -166.61   -103.07                                   
REMARK 500  1 CYS A  70      172.90    -47.68                                   
REMARK 500  1 THR A  71      157.55    179.58                                   
REMARK 500  1 SER A  86      -29.29    -39.88                                   
REMARK 500  1 ASN A  87       79.39   -111.20                                   
REMARK 500  1 THR A  98      -73.42    -94.70                                   
REMARK 500  1 ASP A  99      -59.27     80.49                                   
REMARK 500  1 HIS A 100      -73.94   -119.62                                   
REMARK 500  2 HIS A   3      157.53    -38.39                                   
REMARK 500  2 THR A   6      -38.20    -37.29                                   
REMARK 500  2 ASP A   7      -42.96   -179.51                                   
REMARK 500  2 SER A   8       56.16    176.80                                   
REMARK 500  2 VAL A  14       86.27    -49.14                                   
REMARK 500  2 MET A  16       48.49    -88.80                                   
REMARK 500  2 GLN A  17      151.37    -30.85                                   
REMARK 500  2 ASN A  24      -36.14   -176.11                                   
REMARK 500  2 LYS A  25     -145.52   -120.89                                   
REMARK 500  2 MET A  27      114.63   -176.86                                   
REMARK 500  2 LEU A  32      -86.37    -79.08                                   
REMARK 500  2 GLU A  40      101.43    -55.00                                   
REMARK 500  2 THR A  41      -54.43     74.75                                   
REMARK 500  2 ALA A  42       96.28     80.90                                   
REMARK 500  2 VAL A  43     -157.78   -142.64                                   
REMARK 500  2 THR A  46      133.93     57.33                                   
REMARK 500  2 SER A  51      -80.03   -114.14                                   
REMARK 500  2 ASN A  52      -31.03    174.99                                   
REMARK 500  2 PRO A  55      107.18    -58.27                                   
REMARK 500  2 CYS A  56      159.42    -48.77                                   
REMARK 500  2 VAL A  57       71.48   -118.14                                   
REMARK 500  2 ARG A  65     -165.67   -104.72                                   
REMARK 500  2 SER A  69     -161.59   -179.24                                   
REMARK 500  2 THR A  72       68.71   -117.13                                   
REMARK 500  2 ASP A  99      -56.07     77.75                                   
REMARK 500  3 THR A   6      -44.17   -156.79                                   
REMARK 500  3 ASP A   7       12.58   -141.51                                   
REMARK 500  3 VAL A  11       82.07    -69.33                                   
REMARK 500  3 TYR A  12     -170.83    -63.99                                   
REMARK 500  3 VAL A  14       87.67    -46.11                                   
REMARK 500  3 MET A  16       50.56   -103.16                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS    1107 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1TTF   RELATED DB: PDB                                   
REMARK 900 HUMAN FIBRONECTIN (TENTH TYPE III MODULE) (NMR, 36 STRUCTURES)       
REMARK 900 RELATED ID: 1TTG   RELATED DB: PDB                                   
REMARK 900 HUMAN FIBRONECTIN (TENTH TYPE III MODULE) (NMR, RESTRAINED           
REMARK 900 MINIMIZED AVERAGE STRUCTURE)                                         
REMARK 900 RELATED ID: 1FNA   RELATED DB: PDB                                   
REMARK 900 HUMAN FIBRONECTIN CELL-ADHESION MODULE TYPE III-10                   
REMARK 900 RELATED ID: 1FNF   RELATED DB: PDB                                   
REMARK 900 HUMAN FRAGMENT OF HUMAN FIBRONECTIN ENCOMPASSING TYPE-III REPEATS 7  
REMARK 900 THROUGH 10                                                           
REMARK 900 RELATED ID: 1FBR   RELATED DB: PDB                                   
REMARK 900 HUMAN FOURTH AND FIFTH FIBRONECTIN TYPE I MODULE PAIR                
REMARK 900 RELATED ID: 1FNH   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF HEPARIN AND INTEGRIN BINDING SEGMENT OF HUMAN   
REMARK 900 FIBRONECTIN                                                          
REMARK 900 RELATED ID: 2FN2   RELATED DB: PDB                                   
REMARK 900 SOLUTION NMR STRUCTURE OF THE GLYCOSYLATED SECOND TYPE TWO MODULE    
REMARK 900 OF FIBRONECTIN, 20 STRUCTURES                                        
DBREF  1QO6 A    1   101  UNP    P02751   FINC_HUMAN     305    405             
SEQRES   1 A  101  TYR GLY HIS CYS VAL THR ASP SER GLY VAL VAL TYR SER          
SEQRES   2 A  101  VAL GLY MET GLN TRP LEU LYS THR GLN GLY ASN LYS GLN          
SEQRES   3 A  101  MET LEU CYS THR CYS LEU GLY ASN GLY VAL SER CYS GLN          
SEQRES   4 A  101  GLU THR ALA VAL THR GLN THR TYR GLY GLY ASN SER ASN          
SEQRES   5 A  101  GLY GLU PRO CYS VAL LEU PRO PHE THR TYR ASN GLY ARG          
SEQRES   6 A  101  THR PHE TYR SER CYS THR THR GLU GLY ARG GLN ASP GLY          
SEQRES   7 A  101  HIS LEU TRP CYS SER THR THR SER ASN TYR GLU GLN ASP          
SEQRES   8 A  101  GLN LYS TYR SER PHE CYS THR ASP HIS THR                      
SHEET    1   A 3 TRP A  18  THR A  21  0                                        
SHEET    2   A 3 GLN A  26  THR A  30 -1  N  CYS A  29   O  TRP A  18           
SHEET    3   A 3 SER A  37  GLU A  40 -1  N  GLN A  39   O  LEU A  28           
SHEET    1   B 2 PHE A  60  TYR A  62  0                                        
SHEET    2   B 2 ARG A  65  PHE A  67 -1  N  PHE A  67   O  PHE A  60           
SHEET    1   C 2 LEU A  80  SER A  83  0                                        
SHEET    2   C 2 TYR A  94  CYS A  97 -1  N  CYS A  97   O  LEU A  80           
SSBOND   1 CYS A    4    CYS A   31                          1555   1555  2.03  
SSBOND   2 CYS A   29    CYS A   38                          1555   1555  2.03  
SSBOND   3 CYS A   56    CYS A   82                          1555   1555  2.03  
SSBOND   4 CYS A   70    CYS A   97                          1555   1555  2.03  
CISPEP   1 LEU A   58    PRO A   59          1         0.06                     
CISPEP   2 LEU A   58    PRO A   59          2        -0.07                     
CISPEP   3 LEU A   58    PRO A   59          3         0.19                     
CISPEP   4 LEU A   58    PRO A   59          4         0.09                     
CISPEP   5 LEU A   58    PRO A   59          5         0.00                     
CISPEP   6 LEU A   58    PRO A   59          6         0.13                     
CISPEP   7 LEU A   58    PRO A   59          7         0.01                     
CISPEP   8 LEU A   58    PRO A   59          8         0.24                     
CISPEP   9 LEU A   58    PRO A   59          9         0.15                     
CISPEP  10 LEU A   58    PRO A   59         10         0.13                     
CISPEP  11 LEU A   58    PRO A   59         11         0.09                     
CISPEP  12 LEU A   58    PRO A   59         12         0.10                     
CISPEP  13 LEU A   58    PRO A   59         13         0.34                     
CISPEP  14 LEU A   58    PRO A   59         14         0.13                     
CISPEP  15 LEU A   58    PRO A   59         15         0.29                     
CISPEP  16 LEU A   58    PRO A   59         16         0.07                     
CISPEP  17 LEU A   58    PRO A   59         17         0.04                     
CISPEP  18 LEU A   58    PRO A   59         18         0.07                     
CISPEP  19 LEU A   58    PRO A   59         19         0.29                     
CISPEP  20 LEU A   58    PRO A   59         20         0.09                     
CISPEP  21 LEU A   58    PRO A   59         21         0.09                     
CISPEP  22 LEU A   58    PRO A   59         22         0.18                     
CISPEP  23 LEU A   58    PRO A   59         23         0.00                     
CISPEP  24 LEU A   58    PRO A   59         24        -0.02                     
CISPEP  25 LEU A   58    PRO A   59         25         0.16                     
CISPEP  26 LEU A   58    PRO A   59         26         0.23                     
CISPEP  27 LEU A   58    PRO A   59         27         0.08                     
CISPEP  28 LEU A   58    PRO A   59         28         0.00                     
CISPEP  29 LEU A   58    PRO A   59         29         0.26                     
CISPEP  30 LEU A   58    PRO A   59         30         0.21                     
CISPEP  31 LEU A   58    PRO A   59         31         0.08                     
CISPEP  32 LEU A   58    PRO A   59         32         0.26                     
CISPEP  33 LEU A   58    PRO A   59         33        -0.05                     
CISPEP  34 LEU A   58    PRO A   59         34         0.23                     
CISPEP  35 LEU A   58    PRO A   59         35         0.11                     
CISPEP  36 LEU A   58    PRO A   59         36        -0.07                     
CISPEP  37 LEU A   58    PRO A   59         37         0.05                     
CISPEP  38 LEU A   58    PRO A   59         38        -0.06                     
CISPEP  39 LEU A   58    PRO A   59         39         0.46                     
CISPEP  40 LEU A   58    PRO A   59         40         0.20                     
CISPEP  41 LEU A   58    PRO A   59         41         0.20                     
CISPEP  42 LEU A   58    PRO A   59         42         0.16                     
CISPEP  43 LEU A   58    PRO A   59         43         0.24                     
CISPEP  44 LEU A   58    PRO A   59         44         0.09                     
CISPEP  45 LEU A   58    PRO A   59         45         0.15                     
CISPEP  46 LEU A   58    PRO A   59         46         0.23                     
CISPEP  47 LEU A   58    PRO A   59         47         0.19                     
CISPEP  48 LEU A   58    PRO A   59         48         0.13                     
CISPEP  49 LEU A   58    PRO A   59         49        -0.21                     
CISPEP  50 LEU A   58    PRO A   59         50         0.12                     
CISPEP  51 LEU A   58    PRO A   59         51         0.25                     
CISPEP  52 LEU A   58    PRO A   59         52         0.07                     
CISPEP  53 LEU A   58    PRO A   59         53         0.10                     
CISPEP  54 LEU A   58    PRO A   59         54        -0.12                     
CISPEP  55 LEU A   58    PRO A   59         55        -0.03                     
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
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      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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