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Database: PDB
Entry: 2JQ3
LinkDB: 2JQ3
Original site: 2JQ3 
HEADER    LIPID BINDING PROTEIN                   28-MAY-07   2JQ3              
TITLE     STRUCTURE AND DYNAMICS OF HUMAN APOLIPOPROTEIN C-III                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: APOLIPOPROTEIN C-III;                                      
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: APO-CIII, APOC-III;                                         
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: APOC3;                                                         
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET23B                                     
KEYWDS    APOCIII, DYNAMICS, APOLIPOPROTEIN, RECEPTOR, LIPID BINDING PROTEIN    
EXPDTA    SOLUTION NMR                                                          
NUMMDL    10                                                                    
AUTHOR    C.S.GANGABADAGE,J.ZDUNEK,M.TESSARI,S.NILSSON,G.OLIVECRONA,S.WIJMENGA  
REVDAT   4   19-FEB-20 2JQ3    1       REMARK                                   
REVDAT   3   24-FEB-09 2JQ3    1       VERSN                                    
REVDAT   2   01-JUL-08 2JQ3    1       JRNL                                     
REVDAT   1   29-APR-08 2JQ3    0                                                
JRNL        AUTH   C.S.GANGABADAGE,J.ZDUNEK,M.TESSARI,S.NILSSON,G.OLIVECRONA,   
JRNL        AUTH 2 S.S.WIJMENGA                                                 
JRNL        TITL   STRUCTURE AND DYNAMICS OF HUMAN APOLIPOPROTEIN CIII          
JRNL        REF    J.BIOL.CHEM.                  V. 283 17416 2008              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   18408013                                                     
JRNL        DOI    10.1074/JBC.M800756200                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : NMRPIPE                                              
REMARK   3   AUTHORS     : DELAGLIO, GRZESIEK, VUISTER, ZHU, PFEIFER AND BAX    
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: SIMULATED ANNEALING USING IVM ALGORITHM   
REMARK   3  AVAILABLE WITHIN XPLOR-NIH (2.10) FOLLOWED BY ENERGY                
REMARK   3  MINIMIZATION. IVM DYNAMICS (XPLOR-NIH) WITH RESTRAINING TERMS:      
REMARK   3  NOE, CDIH, JCOUP, RDC AND 7 POSITIONAL RESTRAINTS (APPR. ONE CA     
REMARK   3  ATOM PER HELIX NEAR THE MIDDLE OF EACH HELIX).                      
REMARK   4                                                                      
REMARK   4 2JQ3 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 31-MAY-07.                  
REMARK 100 THE DEPOSITION ID IS D_1000100147.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 315.7                              
REMARK 210  PH                             : 5.0                                
REMARK 210  IONIC STRENGTH                 : 0.3                                
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.5 MM [U-13C; U-15N]              
REMARK 210                                   APOLIPOPROTEIN CIII, 180 MM [U-    
REMARK 210                                   2H] SDS, 92% H2O/8% D2O            
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : CBCA(CO)NH; HNCACB; HNCO; HNHA;    
REMARK 210                                   15N NOESY HSQC; 15N HSQC NOESY     
REMARK 210                                   HSQC                               
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ; 800 MHZ                   
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XEASY, TALOS, X-PLOR NIH 2.10,     
REMARK 210                                   MONTE_CARLO_SCRIPT, PROTEIN        
REMARK 210                                   CONSTRUCTOR                        
REMARK 210   METHOD USED                   : SIMULATED ANNEALING, TORSION       
REMARK 210                                   ANGLE DYNAMICS                     
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 50                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 10                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
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: 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   O    LYS A    51     H    SER A    55              1.42            
REMARK 500   O    ALA A    23     H    LEU A    27              1.44            
REMARK 500   O    THR A    56     H    LYS A    60              1.44            
REMARK 500   O    VAL A    30     H    SER A    33              1.52            
REMARK 500   O    LEU A    50     H    TRP A    54              1.53            
REMARK 500   OD1  ASP A    52     H    TYR A    53              1.54            
REMARK 500   O    TYR A    15     H    ALA A    19              1.59            
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 LEU A   8       -1.11    -55.15                                   
REMARK 500  1 LYS A  24      -74.11    -50.90                                   
REMARK 500  1 VAL A  30        0.89    -56.03                                   
REMARK 500  1 GLN A  31      -13.21    -43.91                                   
REMARK 500  1 VAL A  35       -7.73    -46.71                                   
REMARK 500  1 GLN A  37      -38.45    -39.99                                   
REMARK 500  1 ARG A  40       -5.44    -58.03                                   
REMARK 500  1 TRP A  42      -18.17    -43.56                                   
REMARK 500  1 SER A  49       -9.30    -53.33                                   
REMARK 500  1 LYS A  51      -70.89    -55.78                                   
REMARK 500  1 THR A  56      -76.31    -75.68                                   
REMARK 500  1 PHE A  64       -4.95    -58.64                                   
REMARK 500  1 PRO A  69      -11.63    -46.19                                   
REMARK 500  2 ALA A   6      107.05    -54.08                                   
REMARK 500  2 LEU A   8       -0.07    -58.55                                   
REMARK 500  2 LYS A  24      -75.52    -50.87                                   
REMARK 500  2 VAL A  30        1.45    -54.14                                   
REMARK 500  2 GLN A  31      -16.66    -43.29                                   
REMARK 500  2 VAL A  35      -14.52    -41.43                                   
REMARK 500  2 ARG A  40       -4.37    -56.67                                   
REMARK 500  2 TRP A  42      -18.77    -42.11                                   
REMARK 500  2 SER A  49      -15.15    -47.66                                   
REMARK 500  2 THR A  56      -75.86    -78.10                                   
REMARK 500  2 PHE A  64       -7.67    -54.49                                   
REMARK 500  2 PRO A  69      -10.52    -46.60                                   
REMARK 500  3 LEU A   8        0.15    -56.69                                   
REMARK 500  3 LYS A  24      -75.30    -50.23                                   
REMARK 500  3 VAL A  30        0.37    -55.57                                   
REMARK 500  3 GLN A  31      -16.28    -43.07                                   
REMARK 500  3 VAL A  35      -11.65    -43.67                                   
REMARK 500  3 GLN A  37      -39.83    -39.97                                   
REMARK 500  3 ARG A  40       -7.83    -58.22                                   
REMARK 500  3 TRP A  42      -17.68    -46.41                                   
REMARK 500  3 ASP A  45       22.76    -69.40                                   
REMARK 500  3 THR A  56      -77.26    -73.21                                   
REMARK 500  3 PHE A  64       -1.40    -58.41                                   
REMARK 500  3 PRO A  69      -13.24    -45.44                                   
REMARK 500  4 ALA A   3      107.43    -55.34                                   
REMARK 500  4 LEU A   8       -0.18    -57.38                                   
REMARK 500  4 LYS A  24      -74.47    -51.67                                   
REMARK 500  4 VAL A  30        1.75    -54.64                                   
REMARK 500  4 GLN A  31      -16.08    -43.22                                   
REMARK 500  4 VAL A  35       -6.92    -45.94                                   
REMARK 500  4 GLN A  37      -39.23    -39.60                                   
REMARK 500  4 ARG A  40       -5.28    -56.37                                   
REMARK 500  4 PHE A  47      -16.89    -45.42                                   
REMARK 500  4 THR A  56      -75.58    -76.50                                   
REMARK 500  4 PHE A  64       -7.11    -57.84                                   
REMARK 500  4 PRO A  69       -9.96    -45.64                                   
REMARK 500  5 LEU A   8        0.19    -56.93                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     120 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 15268   RELATED DB: BMRB                                 
DBREF  2JQ3 A    1    79  UNP    P02656   APOC3_HUMAN     21     99             
SEQRES   1 A   79  SER GLU ALA GLU ASP ALA SER LEU LEU SER PHE MET GLN          
SEQRES   2 A   79  GLY TYR MET LYS HIS ALA THR LYS THR ALA LYS ASP ALA          
SEQRES   3 A   79  LEU SER SER VAL GLN GLU SER GLN VAL ALA GLN GLN ALA          
SEQRES   4 A   79  ARG GLY TRP VAL THR ASP GLY PHE SER SER LEU LYS ASP          
SEQRES   5 A   79  TYR TRP SER THR VAL LYS ASP LYS PHE SER GLU PHE TRP          
SEQRES   6 A   79  ASP LEU ASP PRO GLU VAL ARG PRO THR SER ALA VAL ALA          
SEQRES   7 A   79  ALA                                                          
HELIX    1   1 LEU A    8  THR A   20  1                                  13    
HELIX    2   2 THR A   22  SER A   29  1                                   8    
HELIX    3   3 VAL A   30  GLN A   34  5                                   5    
HELIX    4   4 VAL A   35  VAL A   43  1                                   9    
HELIX    5   5 SER A   48  PHE A   61  1                                  14    
HELIX    6   6 SER A   62  ASP A   66  5                                   5    
HELIX    7   7 ARG A   72  ALA A   79  1                                   8    
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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