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HEADER    ACETYLCHOLINE RECEPTOR                  19-DEC-97   1A11              
TITLE     NMR STRUCTURE OF MEMBRANE SPANNING SEGMENT 2 OF THE                   
TITLE    2 ACETYLCHOLINE RECEPTOR IN DPC MICELLES, 10 STRUCTURES                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ACETYLCHOLINE RECEPTOR M2;                                 
COMPND   3 CHAIN: NULL;                                                         
COMPND   4 SYNONYM: ACHR M2;                                                    
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                              
SOURCE   3 ORGANISM_COMMON: RAT;                                                
SOURCE   4 ORGAN: BRAIN;                                                        
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PGEX FUSION                               
KEYWDS    ACETYLCHOLINE RECEPTOR, M2, MICELLE                                   
EXPDTA    NMR, 10 STRUCTURES                                                    
AUTHOR    J.J.GESELL,W.SUN,M.MONTAL,S.J.OPELLA                                  
REVDAT   1   08-APR-98 1A11    0                                                
JRNL        AUTH   S.J.OPELLA,J.GESELL,A.P.VALENTE,F.M.MARASSI,                 
JRNL        AUTH 2 M.OBLATT-MONTAL,W.SUN,A.FERRER-MONTIEL,M.MONTAL              
JRNL        TITL   STRUCTURAL STUDIES OF THE PORE-LINING SEGMENTS OF            
JRNL        TITL 2 NEUROTRANSMITTER-GATED CHANNELS                              
JRNL        REF    CHEMTRACTS: BIOCHEM.MOL.      V.  10   153 1997              
JRNL        REF  2 BIOL.                                                        
JRNL        REFN   ASTM CMBIE5  US ISSN 1045-2680                 2176          
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.1                                           
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE                 
REMARK   3  FOUND IN THE JRNL CITATION ABOVE.                                   
REMARK   4                                                                      
REMARK   4 1A11 COMPLIES WITH FORMAT V. 2.2, 16-DEC-1996                        
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 313                                
REMARK 210  PH                             : 5.5                                
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : HMQC-NOESY, HMQC-TOCSY,            
REMARK 210   HNCA, HNCOCA, HNHA                                                 
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600, 750                           
REMARK 210  SPECTROMETER MODEL             : DMX600, DMX750                     
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : X-PLOR                             
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY,                 
REMARK 210   SIMULATED ANNEALING                                                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 30                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 10                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : LOWEST ENERGY                      
REMARK 210                                                                      
REMARK 210 REMARK:                                                              
REMARK 210 IONIC_STRENGTH: 450MM DPC                                            
REMARK 210 PRESSURE: 1 ATM                                                      
REMARK 210 SOLVENT SYSTEM: WATER                                                
REMARK 210                                                                      
REMARK 210 HNCA AND HNCOCA WERE USED TO OBTAIN BACKBONE RESONANCE               
REMARK 210 ASSIGNMENTS.  15N AND 13C EDITED HMQC-NOESY SPECTRA WERE             
REMARK 210 USED TO TABULATE NOE RESTRAINTS.  AN HNHA SPECTRUM WAS               
REMARK 210 TO OBTAIN HNCAH COUPLING CONSTANTS.                                  
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 999                                                                      
REMARK 999 SEQUENCE                                                             



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