GenomeNet

Database: PDB
Entry: 2LFG
LinkDB: 2LFG
Original site: 2LFG 
HEADER    HORMONE RECEPTOR                        30-JUN-11   2LFG              
TITLE     SOLUTION STRUCTURE OF THE HUMAN PROLACTIN RECEPTOR ECD DOMAIN D2      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROLACTIN RECEPTOR;                                        
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: FIBRONECTIN TYPE-III 2 DOMAIN RESIDUES 99-210;             
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: PET11A                                     
KEYWDS    EXTRACELLULAR DOMAIN, CYTOKINE RECEPTOR, HORMONE RECEPTOR             
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    R.DAGIL,M.J.KNUDSEN,B.B.KRAGELUND,C.O'SHEA,K.TEILUM                   
REVDAT   2   22-FEB-12 2LFG    1       JRNL                                     
REVDAT   1   15-FEB-12 2LFG    0                                                
JRNL        AUTH   R.DAGIL,M.J.KNUDSEN,J.G.OLSEN,C.O'SHEA,M.FRANZMANN,V.GOFFIN, 
JRNL        AUTH 2 K.TEILUM,J.BREINHOLT,B.B.KRAGELUND                           
JRNL        TITL   THE WSXWS MOTIF IN CYTOKINE RECEPTORS IS A MOLECULAR SWITCH  
JRNL        TITL 2 INVOLVED IN RECEPTOR ACTIVATION: INSIGHT FROM STRUCTURES OF  
JRNL        TITL 3 THE PROLACTIN RECEPTOR                                       
JRNL        REF    STRUCTURE                     V.  20   270 2012              
JRNL        REFN                   ISSN 0969-2126                               
JRNL        PMID   22325776                                                     
JRNL        DOI    10.1016/J.STR.2011.12.010                                    
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 2LFG COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-JUL-11.                  
REMARK 100 THE RCSB ID CODE IS RCSB102326.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 7.4                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.5 MM [U-100% 13C; U-100% 15N]    
REMARK 210                                   PROTEIN, 10 MM SODIUM PHOSPHATE,   
REMARK 210                                   10 MM TCEP, 1 MM DSS, 0.02 %       
REMARK 210                                   SODIUM AZIDE, 90% H2O/10% D2O;     
REMARK 210                                   0.5 MM [U-100% 13C(1)] PROTEIN,    
REMARK 210                                   10 MM SODIUM PHOSPHATE, 10 MM      
REMARK 210                                   TCEP, 0.02 % SODIUM AZIDE, 1 MM    
REMARK 210                                   DSS, 100% D2O                      
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 2D 1H-13C HSQC;    
REMARK 210                                   3D C(CO)NH; 3D HNCO; 3D HNCA; 3D   
REMARK 210                                   HNCACB; 3D HN(CO)CA; 3D H(CCO)NH;  
REMARK 210                                   3D CBCA(CO)NH; 3D HN(CA)CO; 3D 1H  
REMARK 210                                   -15N NOESY; 3D 1H-15N TOCSY; 3D    
REMARK 210                                   HCCH-TOCSY; 3D 1H-13C NOESY        
REMARK 210                                   ALIPHATIC; 3D 1H-13C NOESY         
REMARK 210                                   AROMATIC; 2D 1H-13C HSQC AROMATIC  
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ                            
REMARK 210  SPECTROMETER MODEL             : INOVA; AVANCE                      
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN; BRUKER                     
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : AUTOASSIGN 2.3.0, CYANA 2.2.1, X   
REMARK 210                                   -PLOR_NIH 2.25, TALOS, NMRDRAW,    
REMARK 210                                   CCPN 2.1.5, ARIA 2.3.2             
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : NULL                               
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 PRO A 103      -82.00    -73.93                                   
REMARK 500  1 PRO A 106       92.19    -69.11                                   
REMARK 500  1 LEU A 109       96.28    -67.68                                   
REMARK 500  1 LEU A 132     -170.57     64.04                                   
REMARK 500  1 ILE A 133      -70.58     64.70                                   
REMARK 500  1 ASP A 134       87.10     57.93                                   
REMARK 500  1 LEU A 135       47.12    -77.77                                   
REMARK 500  1 LYS A 149      145.53   -170.17                                   
REMARK 500  1 SER A 192       14.80   -146.38                                   
REMARK 500  1 SER A 195      -54.96   -171.43                                   
REMARK 500  2 GLN A 102       74.35   -118.77                                   
REMARK 500  2 PRO A 103     -161.19   -101.37                                   
REMARK 500  2 GLN A 163      -46.18     72.60                                   
REMARK 500  2 TRP A 194      171.96     69.20                                   
REMARK 500  2 SER A 195      -57.58   -159.64                                   
REMARK 500  2 ASN A 209       57.47   -101.24                                   
REMARK 500  3 PRO A 106       94.82    -69.50                                   
REMARK 500  3 ASP A 134       79.36     56.99                                   
REMARK 500  3 LYS A 149      149.89   -172.45                                   
REMARK 500  3 TYR A 190     -164.83   -163.17                                   
REMARK 500  3 TRP A 191      129.35    -30.03                                   
REMARK 500  3 ALA A 193     -157.83     58.09                                   
REMARK 500  3 ASP A 205       32.92    -92.21                                   
REMARK 500  3 MET A 208      -71.13   -114.12                                   
REMARK 500  4 PRO A 103       99.19    -66.80                                   
REMARK 500  4 PRO A 130       86.90    -64.70                                   
REMARK 500  4 THR A 131      -95.22     56.86                                   
REMARK 500  4 ILE A 133      -76.65     67.90                                   
REMARK 500  4 GLN A 163      -33.36   -179.52                                   
REMARK 500  4 SER A 192       41.05   -142.63                                   
REMARK 500  4 ALA A 193     -172.27     67.62                                   
REMARK 500  4 SER A 195      -53.89   -156.07                                   
REMARK 500  4 ASP A 205       34.56    -94.20                                   
REMARK 500  5 TYR A  99      127.95     68.82                                   
REMARK 500  5 PRO A 130      135.63    -38.57                                   
REMARK 500  5 ILE A 133      -53.03     70.39                                   
REMARK 500  5 TRP A 139      -65.92     69.34                                   
REMARK 500  5 GLN A 163       52.99    -91.67                                   
REMARK 500  5 SER A 195      -57.88   -137.02                                   
REMARK 500  5 MET A 208      -61.65   -139.28                                   
REMARK 500  6 PRO A 103      -81.33    -72.79                                   
REMARK 500  6 PRO A 116      -83.99    -68.10                                   
REMARK 500  6 GLU A 117      -77.44   -175.17                                   
REMARK 500  6 ASP A 134       79.52     58.69                                   
REMARK 500  6 THR A 165       36.49    -96.48                                   
REMARK 500  6 TYR A 190     -168.53   -163.81                                   
REMARK 500  6 ALA A 193     -152.72     58.32                                   
REMARK 500  7 ASP A 104       57.35     34.89                                   
REMARK 500  7 ILE A 133      -65.18    -97.28                                   
REMARK 500  7 ASP A 134       87.28     64.12                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     153 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1RW5   RELATED DB: PDB                                   
REMARK 900 HUMAN PROLACTIN                                                      
REMARK 900 RELATED ID: 3EW3   RELATED DB: PDB                                   
REMARK 900 2:1 COMPLEX                                                          
REMARK 900 RELATED ID: 3NPZ   RELATED DB: PDB                                   
REMARK 900 2:1 COMPLEX                                                          
REMARK 900 RELATED ID: 3D48   RELATED DB: PDB                                   
REMARK 900 1:1 COMPLEX                                                          
REMARK 900 RELATED ID: 3MZG   RELATED DB: PDB                                   
REMARK 900 1:1 COMPLEX                                                          
REMARK 900 RELATED ID: 17752   RELATED DB: BMRB                                 
DBREF  2LFG A   99   210  UNP    P16471   PRLR_HUMAN     123    234             
SEQADV 2LFG MET A   98  UNP  P16471              INITIATING METHIONINE          
SEQRES   1 A  113  MET TYR ILE VAL GLN PRO ASP PRO PRO LEU GLU LEU ALA          
SEQRES   2 A  113  VAL GLU VAL LYS GLN PRO GLU ASP ARG LYS PRO TYR LEU          
SEQRES   3 A  113  TRP ILE LYS TRP SER PRO PRO THR LEU ILE ASP LEU LYS          
SEQRES   4 A  113  THR GLY TRP PHE THR LEU LEU TYR GLU ILE ARG LEU LYS          
SEQRES   5 A  113  PRO GLU LYS ALA ALA GLU TRP GLU ILE HIS PHE ALA GLY          
SEQRES   6 A  113  GLN GLN THR GLU PHE LYS ILE LEU SER LEU HIS PRO GLY          
SEQRES   7 A  113  GLN LYS TYR LEU VAL GLN VAL ARG CYS LYS PRO ASP HIS          
SEQRES   8 A  113  GLY TYR TRP SER ALA TRP SER PRO ALA THR PHE ILE GLN          
SEQRES   9 A  113  ILE PRO SER ASP PHE THR MET ASN ASP                          
HELIX    1   1 PRO A  203  THR A  207  5                                   5    
SHEET    1   A 3 LEU A 107  LYS A 114  0                                        
SHEET    2   A 3 TYR A 122  SER A 128 -1  O  TRP A 124   N  GLU A 112           
SHEET    3   A 3 GLU A 166  ILE A 169 -1  O  PHE A 167   N  ILE A 125           
SHEET    1   B 4 GLU A 157  GLY A 162  0                                        
SHEET    2   B 4 TYR A 144  PRO A 150 -1  N  ILE A 146   O  HIS A 159           
SHEET    3   B 4 GLN A 176  CYS A 184 -1  O  LEU A 179   N  LYS A 149           
SHEET    4   B 4 THR A 198  ILE A 202 -1  O  ILE A 200   N  TYR A 178           
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