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Database: PDB
Entry: 2LL2
LinkDB: 2LL2
Original site: 2LL2 
HEADER    MEMBRANE PROTEIN                        26-OCT-11   2LL2              
TITLE     STRUCTURE OF THE CX43 C-TERMINAL DOMAIN BOUND TO TUBULIN              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: GAP JUNCTION ALPHA-1 PROTEIN;                              
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: MICROTUBULE BINDING DOMAIN RESIDUES 234-259;               
COMPND   5 SYNONYM: CONNEXIN-43, CX43, GAP JUNCTION 43 KDA HEART PROTEIN;       
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
SOURCE   5 ORGANISM_TAXID: 9606                                                 
KEYWDS    MEMBRANE PROTEIN                                                      
EXPDTA    SOLUTION NMR                                                          
NUMMDL    10                                                                    
AUTHOR    A.SAIDI BRIKCI-NIGASSA,M.CLEMENT,T.HA-DUONG,K.BENMANSOUR,E.ADJADJ,    
AUTHOR   2 L.ZIANI,D.PASTRE,P.A.CURMI                                           
REVDAT   1   20-JUN-12 2LL2    0                                                
JRNL        AUTH   A.SAIDI BRIKCI-NIGASSA,M.J.CLEMENT,T.HA-DUONG,E.ADJADJ,      
JRNL        AUTH 2 L.ZIANI,D.PASTRE,P.A.CURMI,P.SAVARIN                         
JRNL        TITL   PHOSPHORYLATION CONTROLS THE INTERACTION OF THE CONNEXIN43   
JRNL        TITL 2 C-TERMINAL DOMAIN WITH TUBULIN AND MICROTUBULES.             
JRNL        REF    BIOCHEMISTRY                  V.  51  4331 2012              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   22558917                                                     
JRNL        DOI    10.1021/BI201806J                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS                                                  
REMARK   3   AUTHORS     : BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ         
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2LL2 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-NOV-11.                  
REMARK 100 THE RCSB ID CODE IS RCSB102512.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 282                                
REMARK 210  PH                             : 6.9                                
REMARK 210  IONIC STRENGTH                 : 0                                  
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.8 MM PROTEIN, 0.04 MM [U-100%    
REMARK 210                                   15N] D2O, 50 MM [U-100% 15N]       
REMARK 210                                   PIPES, 95% H2O/5% D2O; 0.8 MM      
REMARK 210                                   PROTEIN, 0.04 MM [U-100% 15N]      
REMARK 210                                   D2O, 50 MM [U-100% 15N] PIPES,     
REMARK 210                                   0.04 MM TUBULIN, 95% H2O/5% D2O    
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H TOCSY; 2D 1H-1H NOESY;    
REMARK 210                                   1D STD                             
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRVIEW 5.2                        
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 10                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST 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    VAL A     7     H    LYS A    10              1.18            
REMARK 500   O    LYS A     4     H    ARG A     6              1.24            
REMARK 500   O    LEU A    21     H    ALA A    24              1.54            
REMARK 500   O    VAL A     7     N    LYS A    10              1.97            
REMARK 500   O    LYS A     4     N    ARG A     6              2.16            
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 VAL A   3      138.25    177.52                                   
REMARK 500  1 LYS A   4     -109.41   -126.78                                   
REMARK 500  1 ASP A   5      -37.71     61.99                                   
REMARK 500  1 LYS A   8      -39.84    -31.44                                   
REMARK 500  1 LYS A  10       -2.74     46.94                                   
REMARK 500  1 ASP A  12      109.81    -46.83                                   
REMARK 500  1 SER A  22      -74.04     16.52                                   
REMARK 500  1 LYS A  25      -89.59    -55.00                                   
REMARK 500  2 LYS A  10        5.61     37.80                                   
REMARK 500  2 ASP A  12      109.45    -46.75                                   
REMARK 500  2 SER A  22      -74.47     16.10                                   
REMARK 500  3 VAL A   3      130.99    179.60                                   
REMARK 500  3 LYS A  10        8.26     36.07                                   
REMARK 500  3 ASP A  12      108.09    -47.10                                   
REMARK 500  3 SER A  22      -74.45     16.34                                   
REMARK 500  3 PRO A  23       -9.98    -56.51                                   
REMARK 500  4 VAL A   3      113.84     46.12                                   
REMARK 500  4 LYS A  10        9.42     38.17                                   
REMARK 500  4 ASP A  12      109.85    -46.93                                   
REMARK 500  4 SER A  22      -73.81     15.35                                   
REMARK 500  5 LYS A   8      -51.17      4.25                                   
REMARK 500  5 LYS A  10       -4.88     46.60                                   
REMARK 500  5 SER A  22      -74.32     15.89                                   
REMARK 500  5 PRO A  23       -9.76    -55.77                                   
REMARK 500  6 LYS A  10        8.32     37.30                                   
REMARK 500  6 ASP A  12      109.30    -46.81                                   
REMARK 500  6 SER A  22      -64.23      5.59                                   
REMARK 500  6 PRO A  23       -9.72    -59.60                                   
REMARK 500  6 LYS A  25      -88.86    -60.46                                   
REMARK 500  7 VAL A   3      136.82    175.94                                   
REMARK 500  7 LYS A   8      -39.97    -30.57                                   
REMARK 500  7 LYS A  10       -2.54     45.78                                   
REMARK 500  7 SER A  22      -65.31      7.16                                   
REMARK 500  7 PRO A  23       -9.53    -59.55                                   
REMARK 500  8 VAL A   3      128.02   -178.79                                   
REMARK 500  8 LYS A  10        7.52     39.50                                   
REMARK 500  8 SER A  22      -64.26      5.45                                   
REMARK 500  8 PRO A  23       -9.74    -59.14                                   
REMARK 500  8 LYS A  25      -89.49    -51.14                                   
REMARK 500  9 VAL A   3     -140.53   -122.52                                   
REMARK 500  9 LYS A   8      -48.05     -8.38                                   
REMARK 500  9 LYS A  10        3.01     39.45                                   
REMARK 500  9 ASP A  12      109.48    -46.35                                   
REMARK 500  9 SER A  22      -66.94      8.88                                   
REMARK 500 10 VAL A   3      127.91     63.18                                   
REMARK 500 10 LYS A   8      -42.11    -27.40                                   
REMARK 500 10 LYS A  10        3.13     40.02                                   
REMARK 500 10 ASP A  12      109.54    -46.17                                   
REMARK 500 10 SER A  22      -65.76      8.26                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 18022   RELATED DB: BMRB                                 
DBREF  2LL2 A    1    26  UNP    P17302   CXA1_HUMAN     234    259             
SEQRES   1 A   26  LYS GLY VAL LYS ASP ARG VAL LYS GLY LYS SER ASP PRO          
SEQRES   2 A   26  TYR HIS ALA THR SER GLY ALA LEU SER PRO ALA LYS ASP          
HELIX    1   1 ARG A    6  LYS A   10  5                                   5    
HELIX    2   2 ASP A   12  LEU A   21  1                                  10    
HELIX    3   3 SER A   22  LYS A   25  5                                   4    
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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