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Database: PDB
Entry: 2N7I
LinkDB: 2N7I
Original site: 2N7I 
HEADER    HORMONE RECEPTOR                        11-SEP-15   2N7I              
TITLE     NMR STRUCTURE OF THE PROLACTIN RECEPTOR TRANSMEMBRANE DOMAIN          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROLACTIN RECEPTOR;                                        
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: HELICAL TRANSMEMBRANE DOMAIN RESIDUES 230-264;             
COMPND   5 SYNONYM: PRL-R;                                                      
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: PRLR;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PGEX 4T-1                                  
KEYWDS    TRANSMEMBRANE DOMAIN, MEMBRANE PROTEIN, RECEPTOR, HORMONE RECEPTOR    
EXPDTA    SOLUTION NMR                                                          
NUMMDL    10                                                                    
AUTHOR    K.BUGGE,B.B.KRAGELUND                                                 
REVDAT   2   25-MAY-16 2N7I    1       JRNL                                     
REVDAT   1   18-MAY-16 2N7I    0                                                
JRNL        AUTH   K.BUGGE,E.PAPALEO,G.W.HAXHOLM,J.T.HOPPER,C.V.ROBINSON,       
JRNL        AUTH 2 J.G.OLSEN,K.LINDORFF-LARSEN,B.B.KRAGELUND                    
JRNL        TITL   A COMBINED COMPUTATIONAL AND STRUCTURAL MODEL OF THE         
JRNL        TITL 2 FULL-LENGTH HUMAN PROLACTIN RECEPTOR.                        
JRNL        REF    NAT COMMUN                    V.   7 11578 2016              
JRNL        REFN                   ESSN 2041-1723                               
JRNL        PMID   27174498                                                     
JRNL        DOI    10.1038/NCOMMS11578                                          
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : ARIA 2.3.2                                           
REMARK   3   AUTHORS     : LINGE, O'DONOGHUE AND NILGES                         
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2N7I COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-SEP-15.                  
REMARK 100 THE RCSB ID CODE IS RCSB104519.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 310                                
REMARK 210  PH                             : 7.2                                
REMARK 210  IONIC STRENGTH                 : 50                                 
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.8 MM [U-13C; U-15N] PRLRTMD, 2   
REMARK 210                                   MM DSS, 0.05 % SODIUM AZIDE, 560   
REMARK 210                                   MM DHPC, 20 MM SODIUM PHOSPHATE,   
REMARK 210                                   4 MM TCEP, 50 MM SODIUM CHLORIDE,  
REMARK 210                                   90% H2O/10% D2O; 1 MM [U-13C; U-   
REMARK 210                                   15N] PRLRTMD, 2 MM DSS, 0.05 %     
REMARK 210                                   SODIUM AZIDE, 700 MM [U-2H] DHPC,  
REMARK 210                                   20 MM SODIUM PHOSPHATE, 4 MM       
REMARK 210                                   TCEP, 50 MM SODIUM CHLORIDE, 90%   
REMARK 210                                   H2O/10% D2O; 0.7 MM [U-15N]        
REMARK 210                                   PRLRTMD, 2 MM DSS, 0.05 % SODIUM   
REMARK 210                                   AZIDE, 490 MM DHPC, 20 MM SODIUM   
REMARK 210                                   PHOSPHATE, 4 MM TCEP, 50 MM        
REMARK 210                                   SODIUM CHLORIDE, 90% H2O/10% D2O   
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 3D HNHA; 3D        
REMARK 210                                   HNCO; 3D HNCACB; 3D CBCA(CO)NH;    
REMARK 210                                   3D 1H-15N NOESY; 2D 1H-13C HSQC    
REMARK 210                                   ALIPHATIC; 2D 1H-13C HSQC AROMATIC 
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ; 750 MHZ; 900 MHZ          
REMARK 210  SPECTROMETER MODEL             : INOVA; AVANCE                      
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN; BRUKER                     
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : ARIA 2.3.2                         
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 200                                
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: 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 PHE A 206      101.08     60.87                                   
REMARK 500  1 ASN A 209     -155.57    -79.84                                   
REMARK 500  1 SER A 238      -65.84   -159.31                                   
REMARK 500  2 THR A 207       95.60     58.56                                   
REMARK 500  2 ASN A 209      -67.38   -165.35                                   
REMARK 500  2 SER A 238      -73.23   -155.46                                   
REMARK 500  3 THR A 207      -69.34   -123.07                                   
REMARK 500  3 MET A 208      -71.86   -145.47                                   
REMARK 500  3 ASN A 209      -82.87   -171.95                                   
REMARK 500  4 ASP A 210       86.61    -67.90                                   
REMARK 500  4 THR A 211      -64.11    -97.45                                   
REMARK 500  4 MET A 239       40.46   -103.10                                   
REMARK 500  5 THR A 207      -90.33     59.65                                   
REMARK 500  5 MET A 239       35.65    -94.13                                   
REMARK 500  7 PHE A 206       13.56   -151.53                                   
REMARK 500  7 ASN A 209      -74.30    -55.19                                   
REMARK 500  7 ASP A 210        6.71   -169.70                                   
REMARK 500  8 SER A 205      -84.28     61.12                                   
REMARK 500  8 THR A 207      -66.59   -154.67                                   
REMARK 500  8 MET A 208      118.40     64.18                                   
REMARK 500  8 ASP A 210        7.50   -176.21                                   
REMARK 500  9 MET A 208      -82.21     63.07                                   
REMARK 500  9 ASP A 210       12.46   -167.28                                   
REMARK 500  9 TYR A 237       35.30     34.21                                   
REMARK 500 10 SER A 205      -58.98   -132.19                                   
REMARK 500 10 PHE A 206       81.37     55.02                                   
REMARK 500 10 THR A 207       47.90   -108.63                                   
REMARK 500 10 MET A 208      -51.11   -155.62                                   
REMARK 500 10 LYS A 235       50.26   -114.06                                   
REMARK 500 10 MET A 239       32.38    -86.66                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 25806   RELATED DB: BMRB                                 
DBREF  2N7I A  206   240  UNP    P16471   PRLR_HUMAN     230    264             
SEQADV 2N7I GLY A  204  UNP  P16471              EXPRESSION TAG                 
SEQADV 2N7I SER A  205  UNP  P16471              EXPRESSION TAG                 
SEQRES   1 A   37  GLY SER PHE THR MET ASN ASP THR THR VAL TRP ILE SER          
SEQRES   2 A   37  VAL ALA VAL LEU SER ALA VAL ILE CYS LEU ILE ILE VAL          
SEQRES   3 A   37  TRP ALA VAL ALA LEU LYS GLY TYR SER MET VAL                  
HELIX    1   1 ASN A  209  ALA A  231  1                                  23    
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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