GenomeNet

Database: PDB
Entry: 2KPF
LinkDB: 2KPF
Original site: 2KPF 
HEADER    MEMBRANE PROTEIN                        13-OCT-09   2KPF              
TITLE     SPATIAL STRUCTURE OF THE DIMERIC TRANSMEMBRANE DOMAIN OF GLYCOPHORIN A
TITLE    2 IN BICELLES SOLUTON                                                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: GLYCOPHORIN-A;                                             
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: TRANSMEMBRANE DOMAIN (UNP RESIDUES 80-117);                
COMPND   5 SYNONYM: PAS-2, SIALOGLYCOPROTEIN ALPHA, MN SIALOGLYCOPROTEIN;       
COMPND   6 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: GYPA, GPA;                                                     
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PGEMEX                                     
KEYWDS    GLYCOPHORIN A, TRANSMEMBRANE DIMER, MICELLES, BICELLES, BLOOD GROUP   
KEYWDS   2 ANTIGEN, CELL MEMBRANE, GLYCOPROTEIN, HOST-VIRUS INTERACTION,        
KEYWDS   3 MEMBRANE, SIALIC ACID, TRANSMEMBRANE, MEMBRANE PROTEIN               
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    K.S.MINEEV,E.V.BOCHAROV,M.V.GONCHARUK,A.S.ARSENIEV,P.E.VOLYNSKY,      
AUTHOR   2 R.G.EFREMOV                                                          
REVDAT   2   25-JUL-12 2KPF    1       JRNL   VERSN                             
REVDAT   1   22-SEP-10 2KPF    0                                                
JRNL        AUTH   K.S.MINEEV,E.V.BOCHAROV,P.E.VOLYNSKY,M.V.GONCHARUK,          
JRNL        AUTH 2 E.N.TKACH,Y.S.ERMOLYUK,A.A.SCHULGA,V.V.CHUPIN,               
JRNL        AUTH 3 I.V.MASLENNIKOV,R.G.EFREMOV,A.S.ARSENIEV                     
JRNL        TITL   DIMERIC STRUCTURE OF THE TRANSMEMBRANE DOMAIN OF GLYCOPHORIN 
JRNL        TITL 2 A IN LIPIDIC AND DETERGENT ENVIRONMENTS.                     
JRNL        REF    ACTA NATURAE                  V.   3    90 2011              
JRNL        REFN                   ISSN 2075-8251                               
JRNL        PMID   22649687                                                     
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CYANA 2.1                                            
REMARK   3   AUTHORS     : GUNTERT, MUMENTHALER AND WUTHRICH                    
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: CYANA                                     
REMARK   4                                                                      
REMARK   4 2KPF COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-OCT-09.                  
REMARK 100 THE RCSB ID CODE IS RCSB101408.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 313                                
REMARK 210  PH                             : 5.5                                
REMARK 210  IONIC STRENGTH                 : 0                                  
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1MM UNLABELED GLYCOPHORIN A, 1MM   
REMARK 210                                   13-C/15-N LABELED GLYCOPHORIN A,   
REMARK 210                                   16MM DMPC D-54, 64 MM DHPC D-22,   
REMARK 210                                   95% H2O/5% D2O                     
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 2D 1H-13C HSQC;    
REMARK 210                                   3D CBCA(CO)NH; 3D HNCO; 3D HNCA;   
REMARK 210                                   3D HN(CO)CA; 3D 1H-15N NOESY; 3D   
REMARK 210                                   1H-13C NOESY; 3D HCCH-TOCSY        
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : UNITY                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CYANA 2.1                          
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 200                                
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: DIMERIC                           
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
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  65      100.29     72.16                                   
REMARK 500  1 ARG A  97      -44.52     76.95                                   
REMARK 500  1 GLN B  63      149.01     62.69                                   
REMARK 500  1 LEU B  64     -175.97     55.11                                   
REMARK 500  1 ALA B  65       33.28     72.10                                   
REMARK 500  1 HIS B  66       84.48     46.66                                   
REMARK 500  1 PHE B  68      170.93    -57.42                                   
REMARK 500  1 SER B  69     -167.21   -164.37                                   
REMARK 500  1 GLU B  72      -64.24   -168.52                                   
REMARK 500  2 ALA A  65       38.63   -155.96                                   
REMARK 500  2 HIS A  67       82.32   -176.07                                   
REMARK 500  2 PHE A  68      175.83    -58.12                                   
REMARK 500  2 ALA B  65       32.15   -164.68                                   
REMARK 500  2 HIS B  66       84.48     46.50                                   
REMARK 500  2 HIS B  67       71.47   -175.83                                   
REMARK 500  2 SER B  69     -167.36   -168.91                                   
REMARK 500  2 GLU B  70       68.19   -156.97                                   
REMARK 500  3 LEU A  64     -170.18     53.48                                   
REMARK 500  3 ALA A  65       31.52     72.29                                   
REMARK 500  3 HIS A  67       35.07   -174.52                                   
REMARK 500  3 ARG A  97       76.46     61.62                                   
REMARK 500  3 VAL B  62       89.16     52.38                                   
REMARK 500  3 ALA B  65       92.29   -165.06                                   
REMARK 500  3 HIS B  66       26.07   -154.93                                   
REMARK 500  3 GLU B  70       65.65   -173.78                                   
REMARK 500  4 GLN A  63      149.13     62.67                                   
REMARK 500  4 ALA A  65       59.33     71.91                                   
REMARK 500  4 HIS A  66       30.49   -155.10                                   
REMARK 500  4 HIS A  67      114.97   -175.59                                   
REMARK 500  4 SER A  69     -169.32   -168.02                                   
REMARK 500  4 PRO A  71       99.55    -69.77                                   
REMARK 500  4 GLU A  72      -49.93   -164.80                                   
REMARK 500  4 VAL B  62      106.17     63.64                                   
REMARK 500  4 ALA B  65       93.40   -164.96                                   
REMARK 500  4 HIS B  67       35.21   -179.53                                   
REMARK 500  4 PHE B  68      170.24    -54.38                                   
REMARK 500  4 SER B  69      174.89    -56.78                                   
REMARK 500  4 GLU B  72      -60.82   -174.53                                   
REMARK 500  5 VAL A  62       82.53     35.67                                   
REMARK 500  5 ALA A  65       99.85     72.07                                   
REMARK 500  5 HIS A  66       28.14   -154.96                                   
REMARK 500  5 SER A  69      -58.22   -179.62                                   
REMARK 500  5 GLU A  72       25.10   -164.11                                   
REMARK 500  5 GLN B  63      149.76     62.58                                   
REMARK 500  5 LEU B  64     -176.89     55.31                                   
REMARK 500  5 ALA B  65       77.60   -157.60                                   
REMARK 500  5 HIS B  66     -171.15    -64.57                                   
REMARK 500  5 HIS B  67      -63.10   -179.49                                   
REMARK 500  5 SER B  69     -164.83     47.76                                   
REMARK 500  5 GLU B  70      -62.29   -171.95                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     205 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 7208   RELATED DB: BMRB                                  
REMARK 900 NMR ASSIGNMENT                                                       
REMARK 900 RELATED ID: 2KPE   RELATED DB: PDB                                   
DBREF  2KPF A   61    98  UNP    P02724   GLPA_HUMAN      80    117             
DBREF  2KPF B   61    98  UNP    P02724   GLPA_HUMAN      80    117             
SEQRES   1 A   38  ARG VAL GLN LEU ALA HIS HIS PHE SER GLU PRO GLU ILE          
SEQRES   2 A   38  THR LEU ILE ILE PHE GLY VAL MET ALA GLY VAL ILE GLY          
SEQRES   3 A   38  THR ILE LEU LEU ILE SER TYR GLY ILE ARG ARG LEU              
SEQRES   1 B   38  ARG VAL GLN LEU ALA HIS HIS PHE SER GLU PRO GLU ILE          
SEQRES   2 B   38  THR LEU ILE ILE PHE GLY VAL MET ALA GLY VAL ILE GLY          
SEQRES   3 B   38  THR ILE LEU LEU ILE SER TYR GLY ILE ARG ARG LEU              
HELIX    1   1 GLU A   72  ARG A   97  1                                  26    
HELIX    2   2 GLU B   72  ARG B   97  1                                  26    
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                                                                             
DBGET integrated database retrieval system