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Database: PDB
Entry: 2FVE
LinkDB: 2FVE
Original site: 2FVE 
HEADER    BIOSYNTHETIC PROTEIN                    30-JAN-06   2FVE              
TITLE     STRUCTURE OF 10:0-ACP (PROTEIN ALONE)                                 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ACYL CARRIER PROTEIN;                                      
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: SPINACIA OLERACEA;                              
SOURCE   3 ORGANISM_COMMON: SPINACH;                                            
SOURCE   4 ORGANISM_TAXID: 3562;                                                
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PSACP-2T                                  
KEYWDS    4-HELIX BUNDLE, BIOSYNTHETIC PROTEIN                                  
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    G.A.ZORNETZER,B.G.FOX,J.L.MARKLEY                                     
REVDAT   4   09-MAR-22 2FVE    1       REMARK                                   
REVDAT   3   24-FEB-09 2FVE    1       VERSN                                    
REVDAT   2   02-MAY-06 2FVE    1       JRNL                                     
REVDAT   1   11-APR-06 2FVE    0                                                
JRNL        AUTH   G.A.ZORNETZER,B.G.FOX,J.L.MARKLEY                            
JRNL        TITL   SOLUTION STRUCTURES OF SPINACH ACYL CARRIER PROTEIN WITH     
JRNL        TITL 2 DECANOATE AND STEARATE                                       
JRNL        REF    BIOCHEMISTRY                  V.  45  5217 2006              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   16618110                                                     
JRNL        DOI    10.1021/BI052062D                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CYANA 2.1, CYANA 2.1                                 
REMARK   3   AUTHORS     : GUNTER, P. (CYANA), GUNTER, P. (CYANA)               
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2FVE COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-FEB-06.                  
REMARK 100 THE DEPOSITION ID IS D_1000036357.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 287                                
REMARK 210  PH                             : 6.1                                
REMARK 210  IONIC STRENGTH                 : 100 MM NACL                        
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 2 MM PROTEIN, 10 MM MES PH 6.1,    
REMARK 210                                   100 MM NACL, 95% H2O, 5% D2O       
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D_15N-SEPARATED_NOESY; 3D_13C     
REMARK 210                                   -SEPARATED_NOESY                   
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ; 600 MHZ; 750 MHZ          
REMARK 210  SPECTROMETER MODEL             : DMX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : TORSION ANGLE MOLECULAR DYNAMICS   
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
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 ALA A  18     -175.89   -178.36                                   
REMARK 500  1 SER A  65      -43.44   -133.08                                   
REMARK 500  2 ALA A  18     -179.47   -178.70                                   
REMARK 500  3 ALA A  18     -177.05   -177.69                                   
REMARK 500  3 ALA A  61       30.59    -95.52                                   
REMARK 500  4 ALA A  18     -176.36   -176.60                                   
REMARK 500  5 ALA A  18     -179.48   -173.81                                   
REMARK 500  6 ALA A  18     -173.59   -178.00                                   
REMARK 500  6 ALA A  61       31.81    -95.52                                   
REMARK 500  6 SER A  65      -46.83   -132.54                                   
REMARK 500  7 ALA A  18     -175.49   -175.85                                   
REMARK 500  7 ALA A  61       30.04    -95.44                                   
REMARK 500  7 SER A  65      -46.86   -135.20                                   
REMARK 500  7 LYS A  81      -72.51    -51.75                                   
REMARK 500  9 ALA A  18     -175.51   -177.21                                   
REMARK 500  9 ALA A  61       30.90    -95.56                                   
REMARK 500  9 SER A  65      -47.51   -131.02                                   
REMARK 500 10 ALA A  18     -173.00   -177.18                                   
REMARK 500 10 ALA A  61       30.05    -95.59                                   
REMARK 500 11 ALA A  18     -175.95   -177.05                                   
REMARK 500 11 ALA A  36      109.96    -56.91                                   
REMARK 500 12 ALA A  18     -168.90   -178.29                                   
REMARK 500 12 SER A  65      -53.96   -128.63                                   
REMARK 500 13 ALA A  18     -170.94   -178.75                                   
REMARK 500 14 ALA A  18     -171.20   -175.73                                   
REMARK 500 14 ALA A  61       31.09    -95.95                                   
REMARK 500 15 ALA A  18     -178.73   -177.62                                   
REMARK 500 15 ALA A  61       31.94    -95.45                                   
REMARK 500 16 ALA A  18     -176.38   -177.41                                   
REMARK 500 16 SER A  65      -49.86   -134.34                                   
REMARK 500 17 ALA A  18     -175.64   -177.53                                   
REMARK 500 18 SER A  65      -51.18   -126.92                                   
REMARK 500 19 ALA A  18     -172.38   -178.32                                   
REMARK 500 19 SER A  65      -52.80   -127.20                                   
REMARK 500 20 ALA A  18     -172.52   -178.49                                   
REMARK 500 20 ALA A  61       32.11    -95.35                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 2AVA   RELATED DB: PDB                                   
REMARK 900 18:0-ACP (COMPARABLE PROTEIN STRUCTURE WITH A LARGER FATTY ACID)     
REMARK 900 RELATED ID: 2FVA   RELATED DB: PDB                                   
REMARK 900 18:0-ACP (SIMILAR PROTEIN STRUCTURE THAT CONTAINS THE BOUND FATTY    
REMARK 900 ACID)                                                                
REMARK 900 RELATED ID: 2FVF   RELATED DB: PDB                                   
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 THE SEQUENCE OF THE PROTEIN HAS 100% MATCH                           
REMARK 999 TO THE SEQUENCE FROM GB ENTRY CAA31207                               
REMARK 999 (ACP-I POLYPEPTIDE, SYNTHETIC CONSTRUCT).                            
DBREF  2FVE A    1    82  UNP    P07854   ACP1_SPIOL      57    138             
SEQRES   1 A   82  ALA LYS LYS GLU THR ILE ASP LYS VAL SER ASP ILE VAL          
SEQRES   2 A   82  LYS GLU LYS LEU ALA LEU GLY ALA ASP VAL VAL VAL THR          
SEQRES   3 A   82  ALA ASP SER GLU PHE SER LYS LEU GLY ALA ASP SER LEU          
SEQRES   4 A   82  ASP THR VAL GLU ILE VAL MET ASN LEU GLU GLU GLU PHE          
SEQRES   5 A   82  GLY ILE ASN VAL ASP GLU ASP LYS ALA GLN ASP ILE SER          
SEQRES   6 A   82  THR ILE GLN GLN ALA ALA ASP VAL ILE GLU GLY LEU LEU          
SEQRES   7 A   82  GLU LYS LYS ALA                                              
HELIX    1   1 LYS A    2  ALA A   18  1                                  17    
HELIX    2   2 GLU A   30  GLY A   35  1                                   6    
HELIX    3   3 ASP A   37  PHE A   52  1                                  16    
HELIX    4   4 GLU A   58  GLN A   62  5                                   5    
HELIX    5   5 THR A   66  LYS A   81  1                                  16    
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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