GenomeNet

Database: PDB
Entry: 2MPC
LinkDB: 2MPC
Original site: 2MPC 
HEADER    SIGNALING PROTEIN                       15-MAY-14   2MPC              
TITLE     SOLUTION STRUCTURE OF THE PYRIN DOMAIN OF HUMAN PYRIN                 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PYRIN;                                                     
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: DAPIN DOMAIN (PYD), RESIDUES 1-92;                         
COMPND   5 SYNONYM: MARENOSTRIN;                                                
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: MEFV, MEF;                                                     
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET-28B                                    
KEYWDS    PYRIN DOMAIN, DEATH DOMAIN, INFLAMMATION, CS-ROSETTA, SIGNALING       
KEYWDS   2 PROTEIN                                                              
EXPDTA    SOLUTION NMR                                                          
NUMMDL    10                                                                    
AUTHOR    S.L.SOH,S.J.SMITH,J.M.HILL                                            
REVDAT   1   16-JUL-14 2MPC    0                                                
JRNL        AUTH   P.R.VAJJHALA,S.KAISER,S.J.SMITH,Q.ONG,S.L.SOH,K.J.STACEY,    
JRNL        AUTH 2 J.M.HILL                                                     
JRNL        TITL   IDENTIFICATION OF MULTIFACETED BINDING MODES FOR PYRIN AND   
JRNL        TITL 2 ASC PYRIN DOMAINS GIVES INSIGHTS INTO PYRIN INFLAMMASOME     
JRNL        TITL 3 ASSEMBLY                                                     
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CS-ROSETTA 3.4                                       
REMARK   3   AUTHORS     : YANG SHEN, OLIVER LANGE, FRANK DELAGLIO, ET AL.      
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2MPC COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 04-JUL-14.                  
REMARK 100 THE RCSB ID CODE IS RCSB103889.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 4.0                                
REMARK 210  IONIC STRENGTH                 : 150                                
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 0.8 MM [U-100% 13C; U-100% 15N]    
REMARK 210                                   PYRIN-1, 90 % H2O-2, 10 % D2O-3,   
REMARK 210                                   90% H2O/10% D2O                    
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 3D HNCO; 3D        
REMARK 210                                   HN(CA)CO; 3D CBCA(CO)NH; 3D        
REMARK 210                                   HNCACB; 3D C(CO)NH; 3D HBHA(CO)NH  
REMARK 210  SPECTROMETER FIELD STRENGTH    : 750 MHZ; 900 MHZ                   
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : TOPSPIN                            
REMARK 210   METHOD USED                   : MOLECULAR DYNAMICS                 
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 5000                               
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 10                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST 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 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;                   
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                            
REMARK 465   MODELS 1-10                                                        
REMARK 465     RES C SSSEQI                                                     
REMARK 465     MET A     1                                                      
REMARK 465     ALA A     2                                                      
REMARK 465     LYS A     3                                                      
REMARK 465     GLU A    94                                                      
REMARK 465     HIS A    95                                                      
REMARK 465     HIS A    96                                                      
REMARK 465     HIS A    97                                                      
REMARK 465     HIS A    98                                                      
REMARK 465     HIS A    99                                                      
REMARK 465     HIS A   100                                                      
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 GLN A  79       70.60   -107.44                                   
REMARK 500  2 ASN A  78       60.73     60.24                                   
REMARK 500  3 GLN A  79       71.85   -110.91                                   
REMARK 500  5 ASN A  78       47.98     72.60                                   
REMARK 500  8 GLN A  79       77.16   -114.40                                   
REMARK 500  9 GLN A  79       78.24   -110.02                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 19875   RELATED DB: BMRB                                 
DBREF  2MPC A    1    92  UNP    O15553   MEFV_HUMAN       1     92             
SEQADV 2MPC LEU A   93  UNP  O15553              EXPRESSION TAG                 
SEQADV 2MPC GLU A   94  UNP  O15553              EXPRESSION TAG                 
SEQADV 2MPC HIS A   95  UNP  O15553              EXPRESSION TAG                 
SEQADV 2MPC HIS A   96  UNP  O15553              EXPRESSION TAG                 
SEQADV 2MPC HIS A   97  UNP  O15553              EXPRESSION TAG                 
SEQADV 2MPC HIS A   98  UNP  O15553              EXPRESSION TAG                 
SEQADV 2MPC HIS A   99  UNP  O15553              EXPRESSION TAG                 
SEQADV 2MPC HIS A  100  UNP  O15553              EXPRESSION TAG                 
SEQRES   1 A  100  MET ALA LYS THR PRO SER ASP HIS LEU LEU SER THR LEU          
SEQRES   2 A  100  GLU GLU LEU VAL PRO TYR ASP PHE GLU LYS PHE LYS PHE          
SEQRES   3 A  100  LYS LEU GLN ASN THR SER VAL GLN LYS GLU HIS SER ARG          
SEQRES   4 A  100  ILE PRO ARG SER GLN ILE GLN ARG ALA ARG PRO VAL LYS          
SEQRES   5 A  100  MET ALA THR LEU LEU VAL THR TYR TYR GLY GLU GLU TYR          
SEQRES   6 A  100  ALA VAL GLN LEU THR LEU GLN VAL LEU ARG ALA ILE ASN          
SEQRES   7 A  100  GLN ARG LEU LEU ALA GLU GLU LEU HIS ARG ALA ALA ILE          
SEQRES   8 A  100  GLN LEU GLU HIS HIS HIS HIS HIS HIS                          
HELIX    1   1 THR A    4  LEU A   16  1                                  13    
HELIX    2   2 VAL A   17  GLN A   29  1                                  13    
HELIX    3   3 PRO A   41  ALA A   48  1                                   8    
HELIX    4   4 LYS A   52  TYR A   61  1                                  10    
HELIX    5   5 GLY A   62  ILE A   77  1                                  16    
HELIX    6   6 GLN A   79  LEU A   93  1                                  15    
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