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Database: PDB
Entry: 2L64
LinkDB: 2L64
Original site: 2L64 
HEADER    HORMONE                                 12-NOV-10   2L64              
TITLE     NMR SOLUTION STRUCTURE OF GLP-2 IN DHPC MICELLES                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: GLUCAGON-LIKE PEPTIDE 2;                                   
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: GLP-2;                                                      
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
SOURCE   5 ORGANISM_TAXID: 9606                                                 
KEYWDS    GLP-2, HORMONE, GPCR, DOCKING, SMALL BOWEL SYNDROME                   
EXPDTA    SOLUTION NMR                                                          
NUMMDL    10                                                                    
AUTHOR    K.C.VENNETI,C.M.HEWAGE                                                
REVDAT   1   23-FEB-11 2L64    0                                                
JRNL        AUTH   K.C.VENNETI,C.M.HEWAGE                                       
JRNL        TITL   CONFORMATIONAL AND MOLECULAR INTERACTION STUDIES OF          
JRNL        TITL 2 GLUCAGON-LIKE PEPTIDE-2 WITH ITS N-TERMINAL EXTRACELLULAR    
JRNL        TITL 3 RECEPTOR DOMAIN.                                             
JRNL        REF    FEBS LETT.                    V. 585   346 2011              
JRNL        REFN                   ISSN 0014-5793                               
JRNL        PMID   21167157                                                     
JRNL        DOI    10.1016/J.FEBSLET.2010.12.011                                
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CYANA 2.0                                            
REMARK   3   AUTHORS     : GUNTERT, MUMENTHALER AND WUTHRICH                    
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2L64 COMPLIES WITH FORMAT V. 3.20, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-NOV-10.                  
REMARK 100 THE RCSB ID CODE IS RCSB102004.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 310                                
REMARK 210  PH                             : 3.9                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 350 MM DHPC-1, 90% H2O/10% D2O     
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H TOCSY; 2D 1H-1H NOESY     
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ                            
REMARK 210  SPECTROMETER MODEL             : DRX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 200                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 10                                 
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: 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    THR A    12     H    ASN A    16              1.78            
REMARK 500   O    ILE A    27     H    LYS A    30              1.84            
REMARK 500   O    PHE A     6     H    MET A    10              1.91            
REMARK 500   O    GLN A    28     H    ILE A    31              1.91            
REMARK 500   O    ALA A    18     H    ASP A    21              2.01            
REMARK 500   O    ASN A    11     H    ASP A    15              2.01            
REMARK 500   O    GLN A    28     H    THR A    32              2.01            
REMARK 500   O    SER A     7     H    ASN A    11              2.01            
REMARK 500   O    GLU A     9     H    ILE A    13              2.05            
REMARK 500   O    ASP A     8     H    THR A    12              2.15            
REMARK 500   O    ASN A    11     H    LEU A    14              2.16            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500  1 ARG A  20   NE  -  CZ  -  NH1 ANGL. DEV. =   3.4 DEGREES          
REMARK 500  2 TRP A  25   CE2 -  CD2 -  CG  ANGL. DEV. =  -5.1 DEGREES          
REMARK 500  3 ARG A  20   NE  -  CZ  -  NH1 ANGL. DEV. =   3.6 DEGREES          
REMARK 500  4 TRP A  25   CE2 -  CD2 -  CG  ANGL. DEV. =  -4.8 DEGREES          
REMARK 500  5 ARG A  20   NE  -  CZ  -  NH1 ANGL. DEV. =   3.4 DEGREES          
REMARK 500  5 TRP A  25   CE2 -  CD2 -  CG  ANGL. DEV. =  -4.9 DEGREES          
REMARK 500  8 TRP A  25   CE2 -  CD2 -  CG  ANGL. DEV. =  -4.9 DEGREES          
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 ALA A   2      -62.61   -173.26                                   
REMARK 500  1 ASP A   3      -67.23   -150.53                                   
REMARK 500  1 LEU A  17       50.88   -103.21                                   
REMARK 500  1 ALA A  18      -56.40   -160.55                                   
REMARK 500  1 TRP A  25      -41.78   -164.70                                   
REMARK 500  1 ILE A  27      -47.22   -171.56                                   
REMARK 500  1 LYS A  30       32.05    -88.44                                   
REMARK 500  1 ILE A  31      -60.42   -143.00                                   
REMARK 500  2 LEU A  17       55.16   -107.23                                   
REMARK 500  2 ALA A  18      -52.97   -165.67                                   
REMARK 500  2 ASP A  21       30.21   -145.43                                   
REMARK 500  2 ILE A  23      -63.29   -151.21                                   
REMARK 500  2 ASN A  24      -38.83    -24.90                                   
REMARK 500  2 ILE A  27      -37.29    -37.59                                   
REMARK 500  2 THR A  29      -61.01   -134.99                                   
REMARK 500  3 ALA A   2       67.45   -159.21                                   
REMARK 500  3 SER A   5       70.16     47.39                                   
REMARK 500  3 LEU A  17       52.45   -107.37                                   
REMARK 500  3 ALA A  18      -54.30   -164.09                                   
REMARK 500  3 ARG A  20       56.92   -115.02                                   
REMARK 500  3 ASP A  21       33.82   -157.09                                   
REMARK 500  3 PHE A  22      112.02    174.91                                   
REMARK 500  3 ASN A  24      -60.52   -159.34                                   
REMARK 500  3 ILE A  27      -54.81   -120.37                                   
REMARK 500  3 ILE A  31      -58.48   -148.28                                   
REMARK 500  4 ASP A   3      -64.39   -162.08                                   
REMARK 500  4 SER A   5       57.78   -143.61                                   
REMARK 500  4 LEU A  17       54.33   -104.91                                   
REMARK 500  4 ALA A  18      -54.59   -165.64                                   
REMARK 500  4 ARG A  20       52.85   -118.51                                   
REMARK 500  4 ASP A  21       33.80   -156.23                                   
REMARK 500  4 PHE A  22      112.79    174.53                                   
REMARK 500  4 ASN A  24      -62.32   -158.22                                   
REMARK 500  4 ILE A  27      -56.39   -158.09                                   
REMARK 500  4 ILE A  31      -60.67   -149.08                                   
REMARK 500  5 ALA A   2       52.09   -162.78                                   
REMARK 500  5 ASP A   3      -59.80     74.07                                   
REMARK 500  5 LEU A  17       53.01   -105.59                                   
REMARK 500  5 ALA A  18      -51.62   -165.19                                   
REMARK 500  5 ASP A  21       25.54   -148.31                                   
REMARK 500  5 ILE A  23      -48.71   -159.95                                   
REMARK 500  5 ILE A  31      -59.42   -122.05                                   
REMARK 500  6 ASP A   3      -66.11   -170.96                                   
REMARK 500  6 SER A   5       57.48   -162.33                                   
REMARK 500  6 LEU A  17       52.03   -104.98                                   
REMARK 500  6 ALA A  18      -53.60   -161.78                                   
REMARK 500  6 PHE A  22      103.59    175.08                                   
REMARK 500  6 ASN A  24      -58.77   -158.86                                   
REMARK 500  6 GLN A  28       73.77   -112.49                                   
REMARK 500  6 THR A  29      -68.40   -148.90                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      86 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 2L63   RELATED DB: PDB                                   
DBREF  2L64 A    1    33  UNP    P01275   GLUC_HUMAN     146    178             
SEQRES   1 A   33  HIS ALA ASP GLY SER PHE SER ASP GLU MET ASN THR ILE          
SEQRES   2 A   33  LEU ASP ASN LEU ALA ALA ARG ASP PHE ILE ASN TRP LEU          
SEQRES   3 A   33  ILE GLN THR LYS ILE THR ASP                                  
HELIX    1   1 SER A    5  ARG A   20  1                                  16    
HELIX    2   2 GLN A   28  ASP A   33  1                                   6    
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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