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Database: PDB
Entry: 5JTK
LinkDB: 5JTK
Original site: 5JTK 
HEADER    UNKNOWN FUNCTION                        09-MAY-16   5JTK              
TITLE     NMR STRUCTURE OF UNCHARACTERIZED PROTEIN FROM PSEUDOMONAS AERUGINOSA  
TITLE    2 PAO1                                                                 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: UNCHARACTERIZED PROTEIN;                                   
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA (STRAIN ATCC 15692 /     
SOURCE   3 PAO1 / 1C / PRS 101 / LMG 12228);                                    
SOURCE   4 ORGANISM_TAXID: 208964;                                              
SOURCE   5 STRAIN: ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228;                
SOURCE   6 GENE: PA0092;                                                        
SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   8 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    STRUCTURAL GENOMICS, SEATTLE STRUCTURAL GENOMICS CENTER FOR           
KEYWDS   2 INFECTIOUS DISEASE, SSGCID, UNKNOWN FUNCTION                         
EXPDTA    SOLUTION NMR                                                          
NUMMDL    10                                                                    
AUTHOR    R.P.BARNWAL,G.VARANI,SEATTLE STRUCTURAL GENOMICS CENTER FOR           
AUTHOR   2 INFECTIOUS DISEASE (SSGCID)                                          
REVDAT   1   25-MAY-16 5JTK    0                                                
JRNL        AUTH   R.P.BARNWAL,G.VARANI                                         
JRNL        TITL   NMR STRUCTURE OF UNCHARACTERIZED PROTEIN FROM PSEUDOMONAS    
JRNL        TITL 2 AERUGINOSA PAO1                                              
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CYANA 3.97, CYANA 3.97                               
REMARK   3   AUTHORS     : GUNTERT, MUMENTHALER AND WUTHRICH (CYANA),           
REMARK   3                 GUNTERT, MUMENTHALER AND WUTHRICH (CYANA)            
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 5JTK COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-MAY-16.                  
REMARK 100 THE DEPOSITION ID IS D_1000217554.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 6.0                                
REMARK 210  IONIC STRENGTH                 : 100                                
REMARK 210  PRESSURE                       : AMBIENT PA                         
REMARK 210  SAMPLE CONTENTS                : 1.1 MM [U-98% 13C; U-98% 15N]      
REMARK 210                                   UNCHARACTERIZED PROTEIN, 95% H2O/  
REMARK 210                                   5% D2O                             
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 2D 1H-13C HSQC;    
REMARK 210                                   3D HNCO; 3D HNCACB; 3D CBCA(CO)    
REMARK 210                                   NH; 3D HBHA(CO)NH; 3D 1H-15N       
REMARK 210                                   NOESY; 3D 1H-13C NOESY; 3D HCCH-   
REMARK 210                                   TOCSY; 3D H(CCO)NH; 2D 1H-1H       
REMARK 210                                   NOESY                              
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ; 800 MHZ                   
REMARK 210  SPECTROMETER MODEL             : AVANCEII; AVANCEIII                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CCPNMR, TOPSPIN                    
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 10                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : TARGET FUNCTION                    
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
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: 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 PRO A  22       81.09    -69.73                                   
REMARK 500  1 THR A  55       74.82   -159.59                                   
REMARK 500  1 PHE A  64       34.58    -94.15                                   
REMARK 500  1 ASP A  68       75.71   -153.21                                   
REMARK 500  1 ASP A  92      111.51   -179.25                                   
REMARK 500  2 PRO A  22       78.43    -69.69                                   
REMARK 500  2 PHE A  64       34.87    -94.40                                   
REMARK 500  2 ASP A  68       78.60   -162.40                                   
REMARK 500  3 PRO A  22       78.49    -69.70                                   
REMARK 500  3 THR A  55       78.58   -108.80                                   
REMARK 500  3 PHE A  64       34.75    -94.49                                   
REMARK 500  3 ASP A  92      112.78   -167.29                                   
REMARK 500  4 PRO A  22       80.27    -69.75                                   
REMARK 500  4 PHE A  64       34.65    -94.26                                   
REMARK 500  4 ASP A  68       81.74   -152.64                                   
REMARK 500  5 PRO A  22       78.32    -69.76                                   
REMARK 500  5 THR A  55       65.30   -159.36                                   
REMARK 500  5 PHE A  64       34.57    -93.63                                   
REMARK 500  5 ASP A  68       81.73   -160.54                                   
REMARK 500  6 PRO A  22       79.23    -69.80                                   
REMARK 500  6 SER A  45       78.21     46.18                                   
REMARK 500  6 ARG A  48       34.91    -95.20                                   
REMARK 500  6 PHE A  64       34.64    -94.34                                   
REMARK 500  6 ASP A  68       75.75   -159.64                                   
REMARK 500  7 PRO A  22       78.30    -69.81                                   
REMARK 500  7 THR A  55       81.73   -161.33                                   
REMARK 500  7 PHE A  64       34.57    -93.76                                   
REMARK 500  7 ASP A  68       80.75   -159.59                                   
REMARK 500  8 PRO A  22       82.54    -69.81                                   
REMARK 500  8 PHE A  64       34.45    -93.76                                   
REMARK 500  8 ASP A  92       38.51   -146.81                                   
REMARK 500  9 PRO A  22       78.59    -69.78                                   
REMARK 500  9 PHE A  64       34.89    -94.24                                   
REMARK 500  9 ASP A  68       77.69   -157.19                                   
REMARK 500  9 ASP A  92       51.08   -174.56                                   
REMARK 500 10 PRO A  22       78.56    -69.80                                   
REMARK 500 10 THR A  55       83.48   -161.64                                   
REMARK 500 10 PHE A  64       34.41    -93.99                                   
REMARK 500 10 ASP A  68       79.07   -150.99                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 30079   RELATED DB: BMRB                                 
REMARK 900 RELATED ID: SSGCID-PSAEA.18874.A   RELATED DB: TARGETTRACK           
DBREF  5JTK A    1    94  UNP    Q9I740   Q9I740_PSEAE     1     94             
SEQRES   1 A   94  MET THR PRO ILE GLU TYR ILE ASP ARG ALA LEU ALA LEU          
SEQRES   2 A   94  VAL VAL ASP ARG LEU ALA ARG TYR PRO GLY TYR GLU VAL          
SEQRES   3 A   94  LEU LEU SER ALA GLU LYS GLN LEU GLN TYR ILE ARG SER          
SEQRES   4 A   94  VAL LEU LEU ASP ARG SER LEU ASP ARG SER ALA LEU HIS          
SEQRES   5 A   94  ARG LEU THR LEU GLY SER ILE ALA VAL LYS GLU PHE ASP          
SEQRES   6 A   94  GLU THR ASP PRO GLU LEU SER ARG ALA LEU LYS ASP ALA          
SEQRES   7 A   94  TYR TYR VAL GLY ILE ARG THR GLY ARG GLY LEU LYS VAL          
SEQRES   8 A   94  ASP LEU PRO                                                  
HELIX    1 AA1 THR A    2  TYR A   21  1                                  20    
HELIX    2 AA2 TYR A   24  ASP A   43  1                                  20    
HELIX    3 AA3 SER A   49  LEU A   54  1                                   6    
HELIX    4 AA4 ASP A   68  GLY A   88  1                                  21    
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 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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