GenomeNet

Database: PDB
Entry: 6NZN
LinkDB: 6NZN
Original site: 6NZN 
HEADER    HORMONE, PROTEIN FIBRIL                 14-FEB-19   6NZN              
TITLE     DIMER-OF-DIMER AMYLOID FIBRIL STRUCTURE OF GLUCAGON                   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: GLUCAGON;                                                  
COMPND   3 CHAIN: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P;               
COMPND   4 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    AMYLOID, HORMONE, PROTEIN FIBRIL                                      
EXPDTA    SOLID-STATE NMR                                                       
NUMMDL    10                                                                    
AUTHOR    M.D.GELENTER,K.J.SMITH,S.Y.LIAO,V.S.MANDALA,A.J.DREGNI,M.S.LAMM,      
AUTHOR   2 Y.TIAN,X.WEI,D.J.POCHAN,T.J.TUCKER,Y.SU,M.HONG                       
REVDAT   5   18-DEC-19 6NZN    1       REMARK                                   
REVDAT   4   17-JUL-19 6NZN    1       JRNL                                     
REVDAT   3   10-JUL-19 6NZN    1       JRNL                                     
REVDAT   2   26-JUN-19 6NZN    1       JRNL                                     
REVDAT   1   05-JUN-19 6NZN    0                                                
JRNL        AUTH   M.D.GELENTER,K.J.SMITH,S.Y.LIAO,V.S.MANDALA,A.J.DREGNI,      
JRNL        AUTH 2 M.S.LAMM,Y.TIAN,W.XU,D.J.POCHAN,T.J.TUCKER,Y.SU,M.HONG       
JRNL        TITL   THE PEPTIDE HORMONE GLUCAGON FORMS AMYLOID FIBRILS WITH TWO  
JRNL        TITL 2 COEXISTING BETA-STRAND CONFORMATIONS.                        
JRNL        REF    NAT.STRUCT.MOL.BIOL.          V.  26   592 2019              
JRNL        REFN                   ESSN 1545-9985                               
JRNL        PMID   31235909                                                     
JRNL        DOI    10.1038/S41594-019-0238-6                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CYANA 2.1                                            
REMARK   3   AUTHORS     : GUNTERT, MUMENTHALER AND WUTHRICH                    
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 6NZN COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-FEB-19.                  
REMARK 100 THE DEPOSITION ID IS D_1000238834.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 293                                
REMARK 210  PH                             : 2.0                                
REMARK 210  IONIC STRENGTH                 : 0.01                               
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 0.1 MG/UL {U-13C; U-15N]           
REMARK 210  -G4,S8,L14,A19,V23 GLUCAGON, WATER; 0.1 MG/UL {U-13C; U-15N]-S2,    
REMARK 210  Q3,G4,T5,Q24,W25,L26,M27,N28 GLUCAGON, WATER; 0.1 MG/UL {U-13C;     
REMARK 210  U-15N]-T5,F6,T7,S8,D9,Y10,S11,A19,Q20,D21,F22,V23,Q24 GLUCAGON,     
REMARK 210  WATER; 0.1 MG/UL {U-13C; U-15N]-S11,K12,Y13,L14,D15,S16,R17,R18,    
REMARK 210  A19 GLUCAGON, WATER                                                 
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 13C-13C CORD; 2D 15N-13C NCA;   
REMARK 210                                   2D 15N-13C NCCX; 3D 15N-13C-13C    
REMARK 210                                   NCCX; 2D-13C-13C CORD; 3D 15N-     
REMARK 210                                   13C-13C NCACX; 3D 15N-13C-13C      
REMARK 210                                   NCOCX; 2D 13C-13C PDSD; 2D 15N-    
REMARK 210                                   13C PERSPIRATION-CP; 2D 13C-13C    
REMARK 210                                   PAR; 2D CHHC                       
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ; 600 MHZ; 900 MHZ          
REMARK 210  SPECTROMETER MODEL             : AVANCE II; AVANCE III HD           
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : SPARKY NMRFAM-SPARKY 1.412,        
REMARK 210                                   TOPSPIN 3.5, CYANA 2.1             
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 700                                
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 217                                                                      
REMARK 217 SOLID STATE NMR STUDY                                                
REMARK 217 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLID              
REMARK 217 STATE NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT           
REMARK 217 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 217 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: HEXADECAMERIC                     
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E, F, G, H, I, J,         
REMARK 350                    AND CHAINS: K, L, M, N, O, P                      
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 700                                                                      
REMARK 700 SHEET                                                                
REMARK 700 DETERMINATION METHOD: AUTHOR                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 30572   RELATED DB: BMRB                                 
REMARK 900 DIMER-OF-DIMER AMYLOID FIBRIL STRUCTURE OF GLUCAGON                  
DBREF  6NZN A    1    29  UNP    P01275   GLUC_HUMAN      53     81             
DBREF  6NZN B    1    29  UNP    P01275   GLUC_HUMAN      53     81             
DBREF  6NZN C    1    29  UNP    P01275   GLUC_HUMAN      53     81             
DBREF  6NZN D    1    29  UNP    P01275   GLUC_HUMAN      53     81             
DBREF  6NZN E    1    29  UNP    P01275   GLUC_HUMAN      53     81             
DBREF  6NZN F    1    29  UNP    P01275   GLUC_HUMAN      53     81             
DBREF  6NZN G    1    29  UNP    P01275   GLUC_HUMAN      53     81             
DBREF  6NZN H    1    29  UNP    P01275   GLUC_HUMAN      53     81             
DBREF  6NZN I  101   129  UNP    P01275   GLUC_HUMAN      53     81             
DBREF  6NZN J  101   129  UNP    P01275   GLUC_HUMAN      53     81             
DBREF  6NZN K  101   129  UNP    P01275   GLUC_HUMAN      53     81             
DBREF  6NZN L  101   129  UNP    P01275   GLUC_HUMAN      53     81             
DBREF  6NZN M  101   129  UNP    P01275   GLUC_HUMAN      53     81             
DBREF  6NZN N  101   129  UNP    P01275   GLUC_HUMAN      53     81             
DBREF  6NZN O  101   129  UNP    P01275   GLUC_HUMAN      53     81             
DBREF  6NZN P  101   129  UNP    P01275   GLUC_HUMAN      53     81             
SEQRES   1 A   29  HIS SER GLN GLY THR PHE THR SER ASP TYR SER LYS TYR          
SEQRES   2 A   29  LEU ASP SER ARG ARG ALA GLN ASP PHE VAL GLN TRP LEU          
SEQRES   3 A   29  MET ASN THR                                                  
SEQRES   1 B   29  HIS SER GLN GLY THR PHE THR SER ASP TYR SER LYS TYR          
SEQRES   2 B   29  LEU ASP SER ARG ARG ALA GLN ASP PHE VAL GLN TRP LEU          
SEQRES   3 B   29  MET ASN THR                                                  
SEQRES   1 C   29  HIS SER GLN GLY THR PHE THR SER ASP TYR SER LYS TYR          
SEQRES   2 C   29  LEU ASP SER ARG ARG ALA GLN ASP PHE VAL GLN TRP LEU          
SEQRES   3 C   29  MET ASN THR                                                  
SEQRES   1 D   29  HIS SER GLN GLY THR PHE THR SER ASP TYR SER LYS TYR          
SEQRES   2 D   29  LEU ASP SER ARG ARG ALA GLN ASP PHE VAL GLN TRP LEU          
SEQRES   3 D   29  MET ASN THR                                                  
SEQRES   1 E   29  HIS SER GLN GLY THR PHE THR SER ASP TYR SER LYS TYR          
SEQRES   2 E   29  LEU ASP SER ARG ARG ALA GLN ASP PHE VAL GLN TRP LEU          
SEQRES   3 E   29  MET ASN THR                                                  
SEQRES   1 F   29  HIS SER GLN GLY THR PHE THR SER ASP TYR SER LYS TYR          
SEQRES   2 F   29  LEU ASP SER ARG ARG ALA GLN ASP PHE VAL GLN TRP LEU          
SEQRES   3 F   29  MET ASN THR                                                  
SEQRES   1 G   29  HIS SER GLN GLY THR PHE THR SER ASP TYR SER LYS TYR          
SEQRES   2 G   29  LEU ASP SER ARG ARG ALA GLN ASP PHE VAL GLN TRP LEU          
SEQRES   3 G   29  MET ASN THR                                                  
SEQRES   1 H   29  HIS SER GLN GLY THR PHE THR SER ASP TYR SER LYS TYR          
SEQRES   2 H   29  LEU ASP SER ARG ARG ALA GLN ASP PHE VAL GLN TRP LEU          
SEQRES   3 H   29  MET ASN THR                                                  
SEQRES   1 I   29  HIS SER GLN GLY THR PHE THR SER ASP TYR SER LYS TYR          
SEQRES   2 I   29  LEU ASP SER ARG ARG ALA GLN ASP PHE VAL GLN TRP LEU          
SEQRES   3 I   29  MET ASN THR                                                  
SEQRES   1 J   29  HIS SER GLN GLY THR PHE THR SER ASP TYR SER LYS TYR          
SEQRES   2 J   29  LEU ASP SER ARG ARG ALA GLN ASP PHE VAL GLN TRP LEU          
SEQRES   3 J   29  MET ASN THR                                                  
SEQRES   1 K   29  HIS SER GLN GLY THR PHE THR SER ASP TYR SER LYS TYR          
SEQRES   2 K   29  LEU ASP SER ARG ARG ALA GLN ASP PHE VAL GLN TRP LEU          
SEQRES   3 K   29  MET ASN THR                                                  
SEQRES   1 L   29  HIS SER GLN GLY THR PHE THR SER ASP TYR SER LYS TYR          
SEQRES   2 L   29  LEU ASP SER ARG ARG ALA GLN ASP PHE VAL GLN TRP LEU          
SEQRES   3 L   29  MET ASN THR                                                  
SEQRES   1 M   29  HIS SER GLN GLY THR PHE THR SER ASP TYR SER LYS TYR          
SEQRES   2 M   29  LEU ASP SER ARG ARG ALA GLN ASP PHE VAL GLN TRP LEU          
SEQRES   3 M   29  MET ASN THR                                                  
SEQRES   1 N   29  HIS SER GLN GLY THR PHE THR SER ASP TYR SER LYS TYR          
SEQRES   2 N   29  LEU ASP SER ARG ARG ALA GLN ASP PHE VAL GLN TRP LEU          
SEQRES   3 N   29  MET ASN THR                                                  
SEQRES   1 O   29  HIS SER GLN GLY THR PHE THR SER ASP TYR SER LYS TYR          
SEQRES   2 O   29  LEU ASP SER ARG ARG ALA GLN ASP PHE VAL GLN TRP LEU          
SEQRES   3 O   29  MET ASN THR                                                  
SEQRES   1 P   29  HIS SER GLN GLY THR PHE THR SER ASP TYR SER LYS TYR          
SEQRES   2 P   29  LEU ASP SER ARG ARG ALA GLN ASP PHE VAL GLN TRP LEU          
SEQRES   3 P   29  MET ASN THR                                                  
SHEET    1 AA1 8 SER A   2  ASN A  28  0                                        
SHEET    2 AA1 8 GLN I 103  THR I 129 -1  O  SER I 116   N  ASP A  15           
SHEET    3 AA1 8 SER C   2  ASN C  28 -1  N  ASN C  28   O  GLN I 103           
SHEET    4 AA1 8 GLN K 103  THR K 129 -1  O  SER K 108   N  VAL C  23           
SHEET    5 AA1 8 SER E   2  ASN E  28 -1  N  PHE E  22   O  ASP K 109           
SHEET    6 AA1 8 GLN M 103  THR M 129 -1  O  SER M 108   N  VAL E  23           
SHEET    7 AA1 8 SER G   2  ASN G  28 -1  N  PHE G  22   O  ASP M 109           
SHEET    8 AA1 8 GLN O 103  THR O 129 -1  O  GLN O 120   N  SER G  11           
SHEET    1 AA2 8 SER B   2  ASN B  28  0                                        
SHEET    2 AA2 8 GLN J 103  THR J 129 -1  O  THR J 107   N  GLN B  24           
SHEET    3 AA2 8 SER D   2  ASN D  28 -1  N  ARG D  17   O  LEU J 114           
SHEET    4 AA2 8 GLN L 103  THR L 129 -1  O  SER L 111   N  GLN D  20           
SHEET    5 AA2 8 SER F   2  ASN F  28 -1  N  TRP F  25   O  PHE L 106           
SHEET    6 AA2 8 GLN N 103  THR N 129 -1  O  ARG N 117   N  LEU F  14           
SHEET    7 AA2 8 SER H   2  ASN H  28 -1  N  VAL H  23   O  SER N 108           
SHEET    8 AA2 8 GLN P 103  THR P 129 -1  O  THR P 107   N  GLN H  24           
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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