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Database: PDB
Entry: 2MFR
LinkDB: 2MFR
Original site: 2MFR 
HEADER    TRANSFERASE                             20-OCT-13   2MFR              
TITLE     SOLUTION STRUCTURE OF THE TRANSMEMBRANE DOMAIN OF THE INSULIN RECEPTOR
TITLE    2 IN MICELLES                                                          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: INSULIN RECEPTOR;                                          
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 940-988;                                      
COMPND   5 SYNONYM: IR;                                                         
COMPND   6 EC: 2.7.10.1;                                                        
COMPND   7 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: INSR;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21DE3;                                   
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET29B                                     
KEYWDS    INSULIN RECEPOTR, MEMBRANE PROTEIN, DETERGENT MICELLES, TRANSFERASE   
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    Q.LI,Y.L.WONG,C.KANG                                                  
REVDAT   2   14-JUN-23 2MFR    1       REMARK SEQADV                            
REVDAT   1   02-APR-14 2MFR    0                                                
JRNL        AUTH   Q.LI,Y.L.WONG,C.KANG                                         
JRNL        TITL   SOLUTION STRUCTURE OF THE TRANSMEMBRANE DOMAIN OF THE        
JRNL        TITL 2 INSULIN RECEPTOR IN DETERGENT MICELLES                       
JRNL        REF    BIOCHIM.BIOPHYS.ACTA          V.1838  1313 2014              
JRNL        REFN                   ISSN 0006-3002                               
JRNL        PMID   24440425                                                     
JRNL        DOI    10.1016/J.BBAMEM.2014.01.005                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : NMRPIPE, X-PLOR NIH                                  
REMARK   3   AUTHORS     : DELAGLIO, GRZESIEK, VUISTER, ZHU, PFEIFER AND BAX    
REMARK   3                 (NMRPIPE)                                            
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2MFR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 28-OCT-13.                  
REMARK 100 THE DEPOSITION ID IS D_1000103574.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 313                                
REMARK 210  PH                             : 6.5                                
REMARK 210  IONIC STRENGTH                 : 20                                 
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.2-0.4 MM [U-100% 15N] PROTEIN    
REMARK 210                                   -1, 90% H2O/10% D2O; 0.2-0.4 MM    
REMARK 210                                   [U-100% 13C; U-100% 15N] PROTEIN-  
REMARK 210                                   2, 90% H2O/10% D2O                 
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 3D HNCO; 3D        
REMARK 210                                   HNCA; 3D HNCACB; 3D CBCA(CO)NH;    
REMARK 210                                   3D 1H-15N NOESY; 3D HBHA(CO)NH     
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ; 700 MHZ                   
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRVIEW, X-PLOR NIH                
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 56                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   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    PRO A    46     H    GLY A    48              1.55            
REMARK 500   O    HIS A    54     HD1  HIS A    55              1.60            
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 ASP A  47       38.77    -67.60                                   
REMARK 500  1 PRO A  49      108.74    -49.81                                   
REMARK 500  1 LEU A  50      142.79     59.11                                   
REMARK 500  1 GLU A  51     -109.91    -91.44                                   
REMARK 500  1 HIS A  52     -107.28     37.99                                   
REMARK 500  1 HIS A  53       26.40     40.10                                   
REMARK 500  1 HIS A  54     -162.15   -128.55                                   
REMARK 500  1 HIS A  55      -59.90   -130.00                                   
REMARK 500  2 ARG A  44     -103.18    -50.19                                   
REMARK 500  2 GLN A  45       71.94    172.85                                   
REMARK 500  2 ASP A  47       38.89    -66.98                                   
REMARK 500  2 HIS A  53     -158.56     54.56                                   
REMARK 500  2 HIS A  56     -122.95     27.62                                   
REMARK 500  3 LEU A  10       42.33    -96.37                                   
REMARK 500  3 GLN A  45       53.40     71.68                                   
REMARK 500  3 ASP A  47       38.75    -67.55                                   
REMARK 500  3 HIS A  52       52.66     28.81                                   
REMARK 500  3 HIS A  54     -157.39    -70.21                                   
REMARK 500  3 HIS A  56      165.98    -44.65                                   
REMARK 500  4 ARG A  44      124.56     62.41                                   
REMARK 500  4 ASP A  47       38.73    -67.69                                   
REMARK 500  4 LEU A  50       67.47     84.83                                   
REMARK 500  4 HIS A  52       81.78    -62.33                                   
REMARK 500  4 HIS A  55      -78.68   -163.41                                   
REMARK 500  4 HIS A  56       70.69   -172.18                                   
REMARK 500  5 LEU A  10       40.55    -89.67                                   
REMARK 500  5 LYS A  43       13.73    -68.47                                   
REMARK 500  5 PRO A  46      162.88    -46.95                                   
REMARK 500  5 ASP A  47       38.78    -67.79                                   
REMARK 500  5 LEU A  50       36.93   -156.02                                   
REMARK 500  5 GLU A  51      -70.14    -43.19                                   
REMARK 500  5 HIS A  54       17.95   -153.77                                   
REMARK 500  5 HIS A  55     -144.84     72.89                                   
REMARK 500  6 VAL A  12      104.13    -43.18                                   
REMARK 500  6 ARG A  44       63.58     36.95                                   
REMARK 500  6 PRO A  46       30.28    -70.23                                   
REMARK 500  6 ASP A  47       39.02    -67.51                                   
REMARK 500  6 PRO A  49     -165.99    -70.95                                   
REMARK 500  7 TYR A   3       -8.60    -50.99                                   
REMARK 500  7 LEU A  10       43.75    -94.65                                   
REMARK 500  7 ARG A  44     -147.77     32.82                                   
REMARK 500  7 ASP A  47       38.73    -67.82                                   
REMARK 500  7 PRO A  49      104.20    -49.60                                   
REMARK 500  7 LEU A  50       49.00    -69.94                                   
REMARK 500  7 GLU A  51       61.61     27.63                                   
REMARK 500  7 HIS A  56      -76.33    -64.30                                   
REMARK 500  8 LEU A  10       40.01    -74.80                                   
REMARK 500  8 ARG A  44       30.67    -85.19                                   
REMARK 500  8 ASP A  47       38.85    -67.54                                   
REMARK 500  8 PRO A  49       99.26    -51.42                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     142 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 19568   RELATED DB: BMRB                                 
DBREF  2MFR A    2    50  UNP    P06213   INSR_HUMAN     940    988             
SEQADV 2MFR MET A    1  UNP  P06213              EXPRESSION TAG                 
SEQADV 2MFR GLU A   51  UNP  P06213              EXPRESSION TAG                 
SEQADV 2MFR HIS A   52  UNP  P06213              EXPRESSION TAG                 
SEQADV 2MFR HIS A   53  UNP  P06213              EXPRESSION TAG                 
SEQADV 2MFR HIS A   54  UNP  P06213              EXPRESSION TAG                 
SEQADV 2MFR HIS A   55  UNP  P06213              EXPRESSION TAG                 
SEQADV 2MFR HIS A   56  UNP  P06213              EXPRESSION TAG                 
SEQADV 2MFR HIS A   57  UNP  P06213              EXPRESSION TAG                 
SEQRES   1 A   57  MET THR TYR PHE TYR VAL THR ASP TYR LEU ASP VAL PRO          
SEQRES   2 A   57  SER ASN ILE ALA LYS ILE ILE ILE GLY PRO LEU ILE PHE          
SEQRES   3 A   57  VAL PHE LEU PHE SER VAL VAL ILE GLY SER ILE TYR LEU          
SEQRES   4 A   57  PHE LEU ARG LYS ARG GLN PRO ASP GLY PRO LEU GLU HIS          
SEQRES   5 A   57  HIS HIS HIS HIS HIS                                          
HELIX    1   1 THR A    2  TYR A    9  1                                   8    
HELIX    2   2 SER A   14  ARG A   42  1                                  29    
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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