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Database: PDB
Entry: 2LZQ
LinkDB: 2LZQ
Original site: 2LZQ 
HEADER    VIRAL PROTEIN                           08-OCT-12   2LZQ              
TITLE     STRUCTURE OF NS2(32-57) GBVB PROTEIN                                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: NS2 PEPTIDE;                                               
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: HEPATITIS GB VIRUS B;                           
SOURCE   4 ORGANISM_COMMON: GBV-B;                                              
SOURCE   5 ORGANISM_TAXID: 39113                                                
KEYWDS    NS2, GBVB, VIRAL PROTEIN                                              
EXPDTA    SOLUTION NMR                                                          
NUMMDL    36                                                                    
AUTHOR    R.MONTSERRET,F.PENIN,A.MARTIN                                         
REVDAT   3   18-JUN-14 2LZQ    1       JRNL                                     
REVDAT   2   07-MAY-14 2LZQ    1       JRNL                                     
REVDAT   1   09-APR-14 2LZQ    0                                                
JRNL        AUTH   C.BOUKADIDA,C.MARNATA,R.MONTSERRET,L.COHEN,B.BLUMEN,         
JRNL        AUTH 2 J.GOUTTENOIRE,D.MORADPOUR,F.PENIN,A.MARTIN                   
JRNL        TITL   NS2 PROTEINS OF GB VIRUS B AND HEPATITIS C VIRUS SHARE       
JRNL        TITL 2 COMMON PROTEASE ACTIVITIES AND MEMBRANE TOPOLOGIES.          
JRNL        REF    J.VIROL.                      V.  88  7426 2014              
JRNL        REFN                   ISSN 0022-538X                               
JRNL        PMID   24741107                                                     
JRNL        DOI    10.1128/JVI.00656-14                                         
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR_NIH                                           
REMARK   3   AUTHORS     : SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE             
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2LZQ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-OCT-12.                  
REMARK 100 THE RCSB ID CODE IS RCSB103027.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 273                                
REMARK 210  PH                             : 6.0                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 2 MM PROTEIN, 0.2 UM DSS, 50% [U   
REMARK 210                                   -99% 2H] TFE, 50% H2O              
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-13C HSQC; 2D 1H-1H TOCSY;    
REMARK 210                                   2D 1H-1H NOESY                     
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : TOPSPIN, SPARKY, X-PLOR_NIH,       
REMARK 210                                   MOLMOL                             
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 50                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 36                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LEAST          
REMARK 210                                   RESTRAINT VIOLATIONS               
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 ARG A  23       80.23     51.14                                   
REMARK 500  2 SER A   2     -178.80     62.09                                   
REMARK 500  2 LEU A   4       33.43    -91.76                                   
REMARK 500  2 VAL A   5      -53.62   -120.01                                   
REMARK 500  2 ARG A  23       67.18   -160.14                                   
REMARK 500  2 GLU A  25      160.16     67.71                                   
REMARK 500  6 GLU A  25       42.16   -107.94                                   
REMARK 500  8 GLU A  25     -164.72   -116.43                                   
REMARK 500  9 ARG A  23       75.80     58.02                                   
REMARK 500 10 ARG A  23       81.51   -165.38                                   
REMARK 500 10 GLU A  25      178.17     60.99                                   
REMARK 500 12 ARG A  23       71.66     55.74                                   
REMARK 500 14 LEU A  22      -86.82    -91.87                                   
REMARK 500 14 ARG A  23      116.28   -166.36                                   
REMARK 500 15 ARG A  23       91.10     57.56                                   
REMARK 500 17 LEU A  22     -103.30   -105.40                                   
REMARK 500 17 ARG A  23      -55.48    173.91                                   
REMARK 500 18 SER A   2     -166.26     58.39                                   
REMARK 500 18 GLU A  25     -167.23    -78.21                                   
REMARK 500 19 SER A   2     -114.09     54.29                                   
REMARK 500 19 ALA A   3      -48.53     74.32                                   
REMARK 500 19 GLU A  25     -177.32     59.00                                   
REMARK 500 22 GLU A  25     -158.41     57.55                                   
REMARK 500 24 LEU A  22      -75.34    -79.71                                   
REMARK 500 24 ARG A  23       74.06     51.33                                   
REMARK 500 26 SER A   2     -149.42     55.57                                   
REMARK 500 26 ALA A   3      -53.92   -149.93                                   
REMARK 500 28 ARG A  23       83.54   -168.33                                   
REMARK 500 29 GLU A  25      -60.08   -158.76                                   
REMARK 500 30 GLU A  25      -47.89   -170.55                                   
REMARK 500 31 SER A   2     -175.25     60.35                                   
REMARK 500 31 ALA A   3      -45.33   -147.25                                   
REMARK 500 31 ARG A  23       78.80     57.65                                   
REMARK 500 33 ALA A   3      -39.21     75.46                                   
REMARK 500 33 ARG A  23       75.37     49.10                                   
REMARK 500 33 GLU A  25      -52.33   -169.76                                   
REMARK 500 34 ALA A   3       10.03     58.64                                   
REMARK 500 34 ARG A  23       87.77     59.72                                   
REMARK 500 35 GLU A  25     -157.14     60.59                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500  1 ARG A   1         0.32    SIDE CHAIN                              
REMARK 500  1 ARG A  12         0.31    SIDE CHAIN                              
REMARK 500  1 ARG A  23         0.28    SIDE CHAIN                              
REMARK 500  1 ARG A  26         0.32    SIDE CHAIN                              
REMARK 500  2 ARG A   1         0.30    SIDE CHAIN                              
REMARK 500  2 ARG A  12         0.32    SIDE CHAIN                              
REMARK 500  2 ARG A  23         0.30    SIDE CHAIN                              
REMARK 500  2 ARG A  26         0.32    SIDE CHAIN                              
REMARK 500  3 ARG A   1         0.31    SIDE CHAIN                              
REMARK 500  3 ARG A  12         0.32    SIDE CHAIN                              
REMARK 500  3 ARG A  23         0.31    SIDE CHAIN                              
REMARK 500  3 ARG A  26         0.32    SIDE CHAIN                              
REMARK 500  4 ARG A   1         0.32    SIDE CHAIN                              
REMARK 500  4 ARG A  12         0.29    SIDE CHAIN                              
REMARK 500  4 ARG A  23         0.31    SIDE CHAIN                              
REMARK 500  4 ARG A  26         0.31    SIDE CHAIN                              
REMARK 500  5 ARG A   1         0.32    SIDE CHAIN                              
REMARK 500  5 ARG A  12         0.29    SIDE CHAIN                              
REMARK 500  5 ARG A  23         0.32    SIDE CHAIN                              
REMARK 500  5 ARG A  26         0.26    SIDE CHAIN                              
REMARK 500  6 ARG A   1         0.31    SIDE CHAIN                              
REMARK 500  6 ARG A  12         0.32    SIDE CHAIN                              
REMARK 500  6 ARG A  23         0.31    SIDE CHAIN                              
REMARK 500  6 ARG A  26         0.31    SIDE CHAIN                              
REMARK 500  7 ARG A   1         0.31    SIDE CHAIN                              
REMARK 500  7 ARG A  12         0.31    SIDE CHAIN                              
REMARK 500  7 ARG A  23         0.32    SIDE CHAIN                              
REMARK 500  7 ARG A  26         0.32    SIDE CHAIN                              
REMARK 500  8 ARG A   1         0.30    SIDE CHAIN                              
REMARK 500  8 ARG A  12         0.29    SIDE CHAIN                              
REMARK 500  8 ARG A  23         0.26    SIDE CHAIN                              
REMARK 500  8 ARG A  26         0.32    SIDE CHAIN                              
REMARK 500  9 ARG A   1         0.31    SIDE CHAIN                              
REMARK 500  9 ARG A  12         0.32    SIDE CHAIN                              
REMARK 500  9 ARG A  23         0.29    SIDE CHAIN                              
REMARK 500  9 ARG A  26         0.31    SIDE CHAIN                              
REMARK 500 10 ARG A   1         0.32    SIDE CHAIN                              
REMARK 500 10 ARG A  12         0.31    SIDE CHAIN                              
REMARK 500 10 ARG A  23         0.31    SIDE CHAIN                              
REMARK 500 10 ARG A  26         0.30    SIDE CHAIN                              
REMARK 500 11 ARG A   1         0.30    SIDE CHAIN                              
REMARK 500 11 ARG A  12         0.29    SIDE CHAIN                              
REMARK 500 11 ARG A  23         0.30    SIDE CHAIN                              
REMARK 500 11 ARG A  26         0.30    SIDE CHAIN                              
REMARK 500 12 ARG A   1         0.31    SIDE CHAIN                              
REMARK 500 12 ARG A  12         0.31    SIDE CHAIN                              
REMARK 500 12 ARG A  23         0.32    SIDE CHAIN                              
REMARK 500 12 ARG A  26         0.27    SIDE CHAIN                              
REMARK 500 13 ARG A   1         0.31    SIDE CHAIN                              
REMARK 500 13 ARG A  12         0.32    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     144 PLANE DEVIATIONS.                             
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 18769   RELATED DB: BMRB                                 
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 AUTHORS STATE THAT THIS IS A MODIFICATION TO AVOID ANY               
REMARK 999 INTERMOLECULAR DIMERIZATION.                                         
DBREF  2LZQ A    1    26  UNP    Q69422   POLG_GBVB      764    789             
SEQADV 2LZQ SER A    2  UNP  Q69422    CYS   765 SEE REMARK 999                 
SEQRES   1 A   26  ARG SER ALA LEU VAL ASN SER TYR LEU TRP GLN ARG TRP          
SEQRES   2 A   26  GLU ASN TRP PHE TRP ASN VAL THR LEU ARG PRO GLU ARG          
HELIX    1   1 VAL A    5  ARG A   23  1                                  19    
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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