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Database: PDB
Entry: 2RNL
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HEADER    SIGNALING PROTEIN                       11-JAN-08   2RNL              
TITLE     SOLUTION STRUCTURE OF THE EGF-LIKE DOMAIN FROM HUMAN                  
TITLE    2 AMPHIREGULIN                                                         
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: AMPHIREGULIN;                                              
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: EGF-LIKE DOMAIN;                                           
COMPND   5 SYNONYM: AR, COLORECTUM CELL-DERIVED GROWTH FACTOR, CRDGF;           
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: AREG, SDGF;                                                    
SOURCE   6 EXPRESSION_SYSTEM: CELL-FREE PROTEIN SYNTHESIS;                      
SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
SOURCE   8 EXPRESSION_SYSTEM_VECTOR: P061201-18;                                
SOURCE   9 OTHER_DETAILS: E. COLI CELL-FREE                                     
KEYWDS    AR, COLORECTUM CELL-DERIVED GROWTH FACTOR, EGF-LIKE DOMAIN,           
KEYWDS   2 CRDGF, CYTOKINE, GLYCOPROTEIN, MEMBRANE, POLYMORPHISM,               
KEYWDS   3 TRANSMEMBRANE, STRUCTURAL GENOMICS, NPPSFA, NATIONAL                 
KEYWDS   4 PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES,               
KEYWDS   5 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI,               
KEYWDS   6 SIGNALING PROTEIN                                                    
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    X.QIN,F.HAYASHI,T.TERADA,M.SHIROUZU,S.WATANABE,T.KIGAWA,              
AUTHOR   2 N.YABUTA,H.NOJIMA,S.YOKOYAMA,RIKEN STRUCTURAL                        
AUTHOR   3 GENOMICS/PROTEOMICS INITIATIVE (RSGI)                                
REVDAT   1   20-JAN-09 2RNL    0                                                
JRNL        AUTH   X.QIN,F.HAYASHI,T.TERADA,M.SHIROUZU,S.WATANABE,              
JRNL        AUTH 2 T.KIGAWA,N.YABUTA,H.NOJIMA,S.YOKOYAMA                        
JRNL        TITL   SOLUTION STRUCTURE OF THE EGF-LIKE DOMAIN FROM               
JRNL        TITL 2 HUMAN AMPHIREGULIN                                           
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CYANA 2.0.17                                         
REMARK   3   AUTHORS     : GUNTERT, MUMENTHALER AND WUTHRICH                    
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2RNL COMPLIES WITH FORMAT V. 3.20, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 16-JAN-08.                  
REMARK 100 THE RCSB ID CODE IS RCSB150068.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 120                                
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 20MM [U-100% 2H] TRIS; 100MM       
REMARK 210                                   SODIUM CHLORIDE; 0.02% SODIUM      
REMARK 210                                   AZIDE; 10% [U-100% 2H] D2O;        
REMARK 210                                   90% H2O/10% D2O                    
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D 1H-15N NOESY, 3D 1H-13C         
REMARK 210                                   NOESY                              
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ, 900 MHZ                   
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : VNMR 6.1C, NMRPIPE 20030801,       
REMARK 210                                   NMRVIEW 5.0.4, KUJIRA 0.9820,      
REMARK 210                                   CYANA 2.0.17                       
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
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 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 SER A   5      106.74    -56.72                                   
REMARK 500  1 PHE A  19      -65.33   -105.54                                   
REMARK 500  1 GLN A  39     -177.10    -62.19                                   
REMARK 500  1 GLU A  45      -65.21    -96.98                                   
REMARK 500  1 CYS A  47       41.67     74.47                                   
REMARK 500  2 SER A   3      153.22    -36.15                                   
REMARK 500  2 LYS A   8       51.74    -96.88                                   
REMARK 500  2 PHE A  19      -72.47    -37.18                                   
REMARK 500  2 GLN A  40      -38.48    -37.37                                   
REMARK 500  2 PHE A  43      149.81   -174.70                                   
REMARK 500  2 CYS A  47       42.66     37.03                                   
REMARK 500  3 HIS A  30      -28.49    -37.33                                   
REMARK 500  3 GLU A  45      -65.33   -100.43                                   
REMARK 500  4 ALA A  14      -74.96    -76.10                                   
REMARK 500  4 GLN A  39     -174.98    -58.33                                   
REMARK 500  4 CYS A  47       45.22     71.64                                   
REMARK 500  5 ALA A  14      -71.60   -104.48                                   
REMARK 500  5 PHE A  19      -62.92   -100.13                                   
REMARK 500  5 GLN A  39      176.64    -56.62                                   
REMARK 500  6 ALA A  14      -59.07   -130.26                                   
REMARK 500  6 PHE A  19      -68.00    -97.90                                   
REMARK 500  6 ILE A  21      -61.93    -97.50                                   
REMARK 500  6 GLN A  40      -35.55    -38.29                                   
REMARK 500  6 PHE A  43      143.36   -173.38                                   
REMARK 500  6 GLU A  45      -39.68    -36.65                                   
REMARK 500  6 CYS A  47       43.40     72.82                                   
REMARK 500  7 SER A   2       42.28   -108.48                                   
REMARK 500  7 ILE A  21      -67.67   -100.25                                   
REMARK 500  7 HIS A  22       77.93   -111.84                                   
REMARK 500  7 GLN A  40      -31.24    -39.34                                   
REMARK 500  7 ARG A  46       25.72     41.14                                   
REMARK 500  7 CYS A  47       36.38     36.66                                   
REMARK 500  8 LYS A   9      102.48    -47.86                                   
REMARK 500  8 HIS A  30      -31.88    -39.39                                   
REMARK 500  9 SER A   3       42.15     36.33                                   
REMARK 500  9 ALA A  14      -72.96   -111.60                                   
REMARK 500  9 ILE A  21      -68.20    -93.74                                   
REMARK 500  9 HIS A  22       78.39   -117.47                                   
REMARK 500  9 GLN A  39      151.14    -47.70                                   
REMARK 500  9 PHE A  43      145.15   -173.75                                   
REMARK 500 10 ALA A  14      -73.15    -82.86                                   
REMARK 500 10 GLN A  39     -176.41    -54.78                                   
REMARK 500 10 CYS A  47       42.33     74.20                                   
REMARK 500 11 SER A   6      114.53   -174.32                                   
REMARK 500 11 LYS A   9      176.63    -49.69                                   
REMARK 500 11 ALA A  14      -71.08    -65.99                                   
REMARK 500 11 PHE A  19      -70.51    -38.32                                   
REMARK 500 11 GLN A  39     -177.75    -53.75                                   
REMARK 500 12 HIS A  30      -38.70    -39.90                                   
REMARK 500 12 CYS A  47       54.89     74.83                                   
REMARK 500 13 SER A   5      154.77    -46.74                                   
REMARK 500 13 PHE A  19      -65.87    -96.31                                   
REMARK 500 13 CYS A  20       84.44    -67.43                                   
REMARK 500 13 GLU A  32       40.21     34.59                                   
REMARK 500 13 GLN A  39     -176.51    -58.64                                   
REMARK 500 13 GLU A  45      -63.61    -98.86                                   
REMARK 500 13 CYS A  47       40.94     72.46                                   
REMARK 500 14 PHE A  19      -67.43    -99.39                                   
REMARK 500 14 HIS A  30      -19.11    -48.78                                   
REMARK 500 14 GLN A  39      176.96    -56.91                                   
REMARK 500 14 GLU A  45      -60.71   -100.94                                   
REMARK 500 15 ALA A  14      -63.49   -104.36                                   
REMARK 500 15 CYS A  47       43.15     74.87                                   
REMARK 500 16 SER A   5       42.60     37.35                                   
REMARK 500 16 HIS A  30      -19.21    -48.98                                   
REMARK 500 16 GLU A  45      -63.41   -101.43                                   
REMARK 500 16 CYS A  47       45.85     72.77                                   
REMARK 500 17 SER A   3      114.42   -174.41                                   
REMARK 500 17 PHE A  19      -68.02    -95.92                                   
REMARK 500 17 GLN A  39     -178.10    -59.66                                   
REMARK 500 17 GLU A  45      -67.60    -94.72                                   
REMARK 500 17 CYS A  47       43.72     74.01                                   
REMARK 500 18 CYS A  12      -34.94    -35.81                                   
REMARK 500 18 PHE A  19      -72.71    -90.85                                   
REMARK 500 18 GLN A  39     -177.57    -57.04                                   
REMARK 500 18 CYS A  47       42.93     70.63                                   
REMARK 500 19 GLU A  45      -65.74   -102.46                                   
REMARK 500 20 SER A   2       42.14     38.81                                   
REMARK 500 20 ALA A  14      -68.49   -106.01                                   
REMARK 500 20 CYS A  47      133.70    -38.01                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: AR_001000440.1   RELATED DB: TARGETDB                    
DBREF  2RNL A    8    50  UNP    P15514   AREG_HUMAN     142    184             
SEQADV 2RNL GLY A    1  UNP  P15514              EXPRESSION TAG                 
SEQADV 2RNL SER A    2  UNP  P15514              EXPRESSION TAG                 
SEQADV 2RNL SER A    3  UNP  P15514              EXPRESSION TAG                 
SEQADV 2RNL GLY A    4  UNP  P15514              EXPRESSION TAG                 
SEQADV 2RNL SER A    5  UNP  P15514              EXPRESSION TAG                 
SEQADV 2RNL SER A    6  UNP  P15514              EXPRESSION TAG                 
SEQADV 2RNL GLY A    7  UNP  P15514              EXPRESSION TAG                 
SEQRES   1 A   50  GLY SER SER GLY SER SER GLY LYS LYS ASN PRO CYS ASN          
SEQRES   2 A   50  ALA GLU PHE GLN ASN PHE CYS ILE HIS GLY GLU CYS LYS          
SEQRES   3 A   50  TYR ILE GLU HIS LEU GLU ALA VAL THR CYS LYS CYS GLN          
SEQRES   4 A   50  GLN GLU TYR PHE GLY GLU ARG CYS GLY GLU LYS                  
HELIX    1   1 GLU A   15  PHE A   19  5                                   5    
SHEET    1   A 2 GLU A  24  ILE A  28  0                                        
SHEET    2   A 2 ALA A  33  LYS A  37 -1  O  LYS A  37   N  GLU A  24           
SSBOND   1 CYS A   12    CYS A   25                          1555   1555  2.05  
SSBOND   2 CYS A   20    CYS A   36                          1555   1555  2.01  
SSBOND   3 CYS A   38    CYS A   47                          1555   1555  2.00  
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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