GenomeNet

Database: PDB
Entry: 6NPY
LinkDB: 6NPY
Original site: 6NPY 
HEADER    IMMUNE SYSTEM                           18-JAN-19   6NPY              
TITLE     CRYO-EM STRUCTURE OF NLRP3 BOUND TO NEK7                              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: NACHT, LRR AND PYD DOMAINS-CONTAINING PROTEIN 3;           
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: ANGIOTENSIN/VASOPRESSIN RECEPTOR AII/AVP-LIKE,CATERPILLER   
COMPND   5 PROTEIN 1.1,CLR1.1,COLD-INDUCED AUTOINFLAMMATORY SYNDROME 1 PROTEIN, 
COMPND   6 CRYOPYRIN,PYRIN-CONTAINING APAF1-LIKE PROTEIN 1;                     
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MUTATION: YES;                                                       
COMPND   9 MOL_ID: 2;                                                           
COMPND  10 MOLECULE: PROTEIN KINASE R,SERINE/THREONINE-PROTEIN KINASE NEK7;     
COMPND  11 CHAIN: B;                                                            
COMPND  12 SYNONYM: EUKARYOTIC TRANSLATION INITIATION FACTOR 2-ALPHA KINASE 2,  
COMPND  13 EIF-2A PROTEIN KINASE 2,INTERFERON-INDUCIBLE RNA-DEPENDENT PROTEIN   
COMPND  14 KINASE,P1/EIF-2A PROTEIN KINASE,PROTEIN KINASE RNA-ACTIVATED,PROTEIN 
COMPND  15 KINASE R,TYROSINE-PROTEIN KINASE EIF2AK2,P68 KINASE,NEVER IN MITOSIS 
COMPND  16 A-RELATED KINASE 7,NIMA-RELATED PROTEIN KINASE 7;                    
COMPND  17 EC: 2.7.11.1;                                                        
COMPND  18 ENGINEERED: YES;                                                     
COMPND  19 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: NLRP3, C1ORF7, CIAS1, NALP3, PYPAF1;                           
SOURCE   6 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA;                            
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 7108;                                       
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  10 ORGANISM_COMMON: HUMAN;                                              
SOURCE  11 ORGANISM_TAXID: 9606;                                                
SOURCE  12 GENE: EIF2AK2, PKR, PRKR, NEK7;                                      
SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    INFLAMMASOME, ACTIVATOR, BIOLOGICAL PROCESS IMMUNITY, INFLAMMATORY    
KEYWDS   2 RESPONSE, INNATE IMMUNITY, TRANSCRIPTION, TRANSCRIPTION REGULATION   
KEYWDS   3 LIGAND, ATP BINDING, NUCLEOTIDE BINDING, IMMUNE SYSTEM               
EXPDTA    ELECTRON MICROSCOPY                                                   
AUTHOR    H.SHARIF,L.WANG,W.L.WANG,H.WU                                         
REVDAT   5   18-DEC-19 6NPY    1       REMARK                                   
REVDAT   4   14-AUG-19 6NPY    1       COMPND SOURCE REMARK DBREF               
REVDAT   4 2                   1       SEQADV SEQRES HELIX  SHEET               
REVDAT   4 3                   1       ATOM                                     
REVDAT   3   03-JUL-19 6NPY    1       JRNL                                     
REVDAT   2   26-JUN-19 6NPY    1       JRNL                                     
REVDAT   1   19-JUN-19 6NPY    0                                                
JRNL        AUTH   H.SHARIF,L.WANG,W.L.WANG,V.G.MAGUPALLI,L.ANDREEVA,Q.QIAO,    
JRNL        AUTH 2 A.V.HAUENSTEIN,Z.WU,G.NUNEZ,Y.MAO,H.WU                       
JRNL        TITL   STRUCTURAL MECHANISM FOR NEK7-LICENSED ACTIVATION OF NLRP3   
JRNL        TITL 2 INFLAMMASOME.                                                
JRNL        REF    NATURE                        V. 570   338 2019              
JRNL        REFN                   ESSN 1476-4687                               
JRNL        PMID   31189953                                                     
JRNL        DOI    10.1038/S41586-019-1295-Z                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    3.80 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   SOFTWARE PACKAGES      : SERIALEM, GCTF, COOT, RELION, RELION,     
REMARK   3                            RELION, PHENIX                            
REMARK   3   RECONSTRUCTION SCHEMA  : NULL                                      
REMARK   3                                                                      
REMARK   3 EM MAP-MODEL FITTING AND REFINEMENT                                  
REMARK   3   PDB ENTRY                    : NULL                                
REMARK   3   REFINEMENT SPACE             : REAL                                
REMARK   3   REFINEMENT PROTOCOL          : RIGID BODY FIT                      
REMARK   3   REFINEMENT TARGET            : NULL                                
REMARK   3   OVERALL ANISOTROPIC B VALUE  : NULL                                
REMARK   3                                                                      
REMARK   3 FITTING PROCEDURE : NULL                                             
REMARK   3                                                                      
REMARK   3 EM IMAGE RECONSTRUCTION STATISTICS                                   
REMARK   3   NOMINAL PIXEL SIZE (ANGSTROMS)    : NULL                           
REMARK   3   ACTUAL PIXEL SIZE  (ANGSTROMS)    : NULL                           
REMARK   3   EFFECTIVE RESOLUTION (ANGSTROMS)  : 3.800                          
REMARK   3   NUMBER OF PARTICLES               : 108771                         
REMARK   3   CTF CORRECTION METHOD             : PHASE FLIPPING AND AMPLITUDE   
REMARK   3                                       CORRECTION                     
REMARK   3                                                                      
REMARK   3 EM RECONSTRUCTION MAGNIFICATION CALIBRATION: NULL                    
REMARK   3                                                                      
REMARK   3 OTHER DETAILS: NULL                                                  
REMARK   4                                                                      
REMARK   4 6NPY COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-JAN-19.                  
REMARK 100 THE DEPOSITION ID IS D_1000239183.                                   
REMARK 245                                                                      
REMARK 245 EXPERIMENTAL DETAILS                                                 
REMARK 245   RECONSTRUCTION METHOD          : SINGLE PARTICLE                   
REMARK 245   SPECIMEN TYPE                  : NULL                              
REMARK 245                                                                      
REMARK 245 ELECTRON MICROSCOPE SAMPLE                                           
REMARK 245   SAMPLE TYPE                    : PARTICLE                          
REMARK 245   PARTICLE TYPE                  : POINT                             
REMARK 245   NAME OF SAMPLE                 : NL3-NEK7; NLRP3; NEK7             
REMARK 245   SAMPLE CONCENTRATION (MG ML-1) : NULL                              
REMARK 245   SAMPLE SUPPORT DETAILS         : NULL                              
REMARK 245   SAMPLE VITRIFICATION DETAILS   : NULL                              
REMARK 245   SAMPLE BUFFER                  : NULL                              
REMARK 245   PH                             : 7.50                              
REMARK 245   SAMPLE DETAILS                 : THE SEQUENCE IS ACCORDING TO      
REMARK 245  NP_001230062.1 ISOFORM WHICH LACKS 2 RESIDUES FROM N-TERMINUS.      
REMARK 245  TOTAL RESIDUES ARE 1034AA AS COMPARED TO 1036 IN UNP Q96P20.        
REMARK 245  THERE ARE MUTATIONS IN YRKKYRKY INSTEAD ITS IYCAKYRAY MUTATIONS     
REMARK 245  WERE INTENDED TO INTRODUCE SO THAT THE CLASS OF MBP AND NLRP3 IS    
REMARK 245  AVOIDED                                                             
REMARK 245                                                                      
REMARK 245 DATA ACQUISITION                                                     
REMARK 245   DATE OF EXPERIMENT                : NULL                           
REMARK 245   NUMBER OF MICROGRAPHS-IMAGES      : NULL                           
REMARK 245   TEMPERATURE (KELVIN)              : NULL                           
REMARK 245   MICROSCOPE MODEL                  : FEI TITAN KRIOS                
REMARK 245   DETECTOR TYPE                     : GATAN K2 SUMMIT (4K X 4K)      
REMARK 245   MINIMUM DEFOCUS (NM)              : -1000.00                       
REMARK 245   MAXIMUM DEFOCUS (NM)              : -3000.00                       
REMARK 245   MINIMUM TILT ANGLE (DEGREES)      : NULL                           
REMARK 245   MAXIMUM TILT ANGLE (DEGREES)      : NULL                           
REMARK 245   NOMINAL CS                        : 2.70                           
REMARK 245   IMAGING MODE                      : BRIGHT FIELD                   
REMARK 245   ELECTRON DOSE (ELECTRONS NM**-2)  : 55.00                          
REMARK 245   ILLUMINATION MODE                 : OTHER                          
REMARK 245   NOMINAL MAGNIFICATION             : NULL                           
REMARK 245   CALIBRATED MAGNIFICATION          : NULL                           
REMARK 245   SOURCE                            : FIELD EMISSION GUN             
REMARK 245   ACCELERATION VOLTAGE (KV)         : 300                            
REMARK 245   IMAGING DETAILS                   : NULL                           
REMARK 247                                                                      
REMARK 247 ELECTRON MICROSCOPY                                                  
REMARK 247  THE COORDINATES IN THIS ENTRY WERE GENERATED FROM ELECTRON          
REMARK 247  MICROSCOPY DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE              
REMARK 247  THAT CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES           
REMARK 247  ON THESE RECORDS ARE MEANINGLESS EXCEPT FOR THE CALCULATION         
REMARK 247  OF THE STRUCTURE FACTORS.                                           
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: DIMERIC                           
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
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. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A     1                                                      
REMARK 465     ALA A     2                                                      
REMARK 465     SER A     3                                                      
REMARK 465     THR A     4                                                      
REMARK 465     ARG A     5                                                      
REMARK 465     CYS A     6                                                      
REMARK 465     LYS A     7                                                      
REMARK 465     LEU A     8                                                      
REMARK 465     ALA A     9                                                      
REMARK 465     ARG A    10                                                      
REMARK 465     TYR A    11                                                      
REMARK 465     LEU A    12                                                      
REMARK 465     GLU A    13                                                      
REMARK 465     ASP A    14                                                      
REMARK 465     LEU A    15                                                      
REMARK 465     GLU A    16                                                      
REMARK 465     ASP A    17                                                      
REMARK 465     VAL A    18                                                      
REMARK 465     ASP A    19                                                      
REMARK 465     LEU A    20                                                      
REMARK 465     LYS A    21                                                      
REMARK 465     LYS A    22                                                      
REMARK 465     PHE A    23                                                      
REMARK 465     LYS A    24                                                      
REMARK 465     MET A    25                                                      
REMARK 465     HIS A    26                                                      
REMARK 465     LEU A    27                                                      
REMARK 465     GLU A    28                                                      
REMARK 465     ASP A    29                                                      
REMARK 465     TYR A    30                                                      
REMARK 465     PRO A    31                                                      
REMARK 465     PRO A    32                                                      
REMARK 465     GLN A    33                                                      
REMARK 465     LYS A    34                                                      
REMARK 465     GLY A    35                                                      
REMARK 465     CYS A    36                                                      
REMARK 465     ILE A    37                                                      
REMARK 465     PRO A    38                                                      
REMARK 465     LEU A    39                                                      
REMARK 465     PRO A    40                                                      
REMARK 465     ARG A    41                                                      
REMARK 465     GLY A    42                                                      
REMARK 465     GLN A    43                                                      
REMARK 465     THR A    44                                                      
REMARK 465     GLU A    45                                                      
REMARK 465     LYS A    46                                                      
REMARK 465     ALA A    47                                                      
REMARK 465     ASP A    48                                                      
REMARK 465     HIS A    49                                                      
REMARK 465     VAL A    50                                                      
REMARK 465     ASP A    51                                                      
REMARK 465     LEU A    52                                                      
REMARK 465     ALA A    53                                                      
REMARK 465     THR A    54                                                      
REMARK 465     LEU A    55                                                      
REMARK 465     MET A    56                                                      
REMARK 465     ILE A    57                                                      
REMARK 465     ASP A    58                                                      
REMARK 465     PHE A    59                                                      
REMARK 465     ASN A    60                                                      
REMARK 465     GLY A    61                                                      
REMARK 465     GLU A    62                                                      
REMARK 465     GLU A    63                                                      
REMARK 465     LYS A    64                                                      
REMARK 465     ALA A    65                                                      
REMARK 465     TRP A    66                                                      
REMARK 465     ALA A    67                                                      
REMARK 465     MET A    68                                                      
REMARK 465     ALA A    69                                                      
REMARK 465     VAL A    70                                                      
REMARK 465     TRP A    71                                                      
REMARK 465     ILE A    72                                                      
REMARK 465     PHE A    73                                                      
REMARK 465     ALA A    74                                                      
REMARK 465     ALA A    75                                                      
REMARK 465     ILE A    76                                                      
REMARK 465     ASN A    77                                                      
REMARK 465     ARG A    78                                                      
REMARK 465     ARG A    79                                                      
REMARK 465     ASP A    80                                                      
REMARK 465     LEU A    81                                                      
REMARK 465     TYR A    82                                                      
REMARK 465     GLU A    83                                                      
REMARK 465     LYS A    84                                                      
REMARK 465     ALA A    85                                                      
REMARK 465     LYS A    86                                                      
REMARK 465     ARG A    87                                                      
REMARK 465     ASP A    88                                                      
REMARK 465     GLU A    89                                                      
REMARK 465     PRO A    90                                                      
REMARK 465     LYS A    91                                                      
REMARK 465     TRP A    92                                                      
REMARK 465     GLY A    93                                                      
REMARK 465     SER A    94                                                      
REMARK 465     ASP A    95                                                      
REMARK 465     ASN A    96                                                      
REMARK 465     ALA A    97                                                      
REMARK 465     ARG A    98                                                      
REMARK 465     VAL A    99                                                      
REMARK 465     SER A   100                                                      
REMARK 465     ASN A   101                                                      
REMARK 465     PRO A   102                                                      
REMARK 465     THR A   103                                                      
REMARK 465     VAL A   104                                                      
REMARK 465     ILE A   105                                                      
REMARK 465     CYS A   106                                                      
REMARK 465     GLN A   107                                                      
REMARK 465     GLU A   108                                                      
REMARK 465     ASP A   109                                                      
REMARK 465     SER A   110                                                      
REMARK 465     ILE A   111                                                      
REMARK 465     GLU A   112                                                      
REMARK 465     GLU A   113                                                      
REMARK 465     GLU A   114                                                      
REMARK 465     TRP A   115                                                      
REMARK 465     MET A   116                                                      
REMARK 465     GLY A   117                                                      
REMARK 465     LEU A   118                                                      
REMARK 465     LEU A   119                                                      
REMARK 465     GLU A   120                                                      
REMARK 465     TYR A   121                                                      
REMARK 465     LEU A   122                                                      
REMARK 465     SER A   123                                                      
REMARK 465     ARG A   124                                                      
REMARK 465     ILE A   125                                                      
REMARK 465     SER A   126                                                      
REMARK 465     ILE A   127                                                      
REMARK 465     CYS A   128                                                      
REMARK 465     LYS A   129                                                      
REMARK 465     MET A   130                                                      
REMARK 465     LYS A   131                                                      
REMARK 465     LYS A   132                                                      
REMARK 465     ASP A   151                                                      
REMARK 465     ARG A   152                                                      
REMARK 465     ASN A   153                                                      
REMARK 465     ALA A   154                                                      
REMARK 465     ARG A   155                                                      
REMARK 465     LEU A   156                                                      
REMARK 465     GLY A   157                                                      
REMARK 465     GLU A   158                                                      
REMARK 465     SER A   159                                                      
REMARK 465     VAL A   160                                                      
REMARK 465     SER A   177                                                      
REMARK 465     GLN A   178                                                      
REMARK 465     GLN A   179                                                      
REMARK 465     GLU A   180                                                      
REMARK 465     ARG A   181                                                      
REMARK 465     GLU A   182                                                      
REMARK 465     GLN A   183                                                      
REMARK 465     GLU A   184                                                      
REMARK 465     LEU A   185                                                      
REMARK 465     LEU A   186                                                      
REMARK 465     ALA A   187                                                      
REMARK 465     ILE A   188                                                      
REMARK 465     GLY A   189                                                      
REMARK 465     LYS A   190                                                      
REMARK 465     THR A   191                                                      
REMARK 465     LYS A   192                                                      
REMARK 465     THR A   193                                                      
REMARK 465     CYS A   194                                                      
REMARK 465     GLU A   195                                                      
REMARK 465     SER A   196                                                      
REMARK 465     PRO A   197                                                      
REMARK 465     VAL A   198                                                      
REMARK 465     SER A   199                                                      
REMARK 465     PRO A   200                                                      
REMARK 465     GLY A   454                                                      
REMARK 465     SER A   455                                                      
REMARK 465     GLN A   456                                                      
REMARK 465     GLU A   457                                                      
REMARK 465     HIS A   458                                                      
REMARK 465     GLU A   536                                                      
REMARK 465     GLU A   537                                                      
REMARK 465     LYS A   538                                                      
REMARK 465     GLU A   539                                                      
REMARK 465     GLY A   540                                                      
REMARK 465     ARG A   541                                                      
REMARK 465     THR A   542                                                      
REMARK 465     ASP A   555                                                      
REMARK 465     VAL A   556                                                      
REMARK 465     THR A   557                                                      
REMARK 465     VAL A   558                                                      
REMARK 465     LEU A   559                                                      
REMARK 465     LEU A   560                                                      
REMARK 465     SER A   588                                                      
REMARK 465     TYR A   589                                                      
REMARK 465     LEU A   590                                                      
REMARK 465     GLU A   591                                                      
REMARK 465     LYS A   592                                                      
REMARK 465     LYS A   593                                                      
REMARK 465     LEU A   594                                                      
REMARK 465     SER A   595                                                      
REMARK 465     CYS A   596                                                      
REMARK 465     LYS A   597                                                      
REMARK 465     ILE A   598                                                      
REMARK 465     SER A   599                                                      
REMARK 465     GLN A   600                                                      
REMARK 465     GLN A   601                                                      
REMARK 465     ILE A   602                                                      
REMARK 465     ARG A   603                                                      
REMARK 465     LEU A   604                                                      
REMARK 465     GLU A   605                                                      
REMARK 465     LEU A   606                                                      
REMARK 465     LEU A   607                                                      
REMARK 465     LYS A   608                                                      
REMARK 465     TRP A   609                                                      
REMARK 465     ILE A   610                                                      
REMARK 465     GLU A   611                                                      
REMARK 465     VAL A   612                                                      
REMARK 465     LYS A   613                                                      
REMARK 465     ASN A   654                                                      
REMARK 465     LEU A   655                                                      
REMARK 465     SER A   656                                                      
REMARK 465     THR A   657                                                      
REMARK 465     ARG A   658                                                      
REMARK 465     MET A   659                                                      
REMARK 465     ASP A   660                                                      
REMARK 465     HIS A   661                                                      
REMARK 465     MET A   662                                                      
REMARK 465     VAL A   663                                                      
REMARK 465     SER A   664                                                      
REMARK 465     SER A   665                                                      
REMARK 465     PHE A   666                                                      
REMARK 465     CYS A   667                                                      
REMARK 465     ILE A   668                                                      
REMARK 465     GLU A   669                                                      
REMARK 465     ASN A   670                                                      
REMARK 465     CYS A   671                                                      
REMARK 465     HIS A   672                                                      
REMARK 465     ARG A   673                                                      
REMARK 465     VAL A   674                                                      
REMARK 465     GLU A   675                                                      
REMARK 465     SER A   676                                                      
REMARK 465     LEU A   677                                                      
REMARK 465     SER A   678                                                      
REMARK 465     LEU A   679                                                      
REMARK 465     GLY B    24                                                      
REMARK 465     SER B    25                                                      
REMARK 465     THR B    26                                                      
REMARK 465     ASP B    27                                                      
REMARK 465     LYS B    28                                                      
REMARK 465     ARG B    29                                                      
REMARK 465     PHE B    30                                                      
REMARK 465     GLY B    31                                                      
REMARK 465     MET B    32                                                      
REMARK 465     ASP B    33                                                      
REMARK 465     PHE B    34                                                      
REMARK 465     ARG B    35                                                      
REMARK 465     ILE B    36                                                      
REMARK 465     GLU B    37                                                      
REMARK 465     LYS B    38                                                      
REMARK 465     LYS B    39                                                      
REMARK 465     ILE B    40                                                      
REMARK 465     GLY B    41                                                      
REMARK 465     ARG B    42                                                      
REMARK 465     GLY B    43                                                      
REMARK 465     GLN B    44                                                      
REMARK 465     PHE B    45                                                      
REMARK 465     SER B    46                                                      
REMARK 465     GLU B    47                                                      
REMARK 465     VAL B    48                                                      
REMARK 465     TYR B    49                                                      
REMARK 465     ARG B    50                                                      
REMARK 465     ALA B    51                                                      
REMARK 465     ALA B    52                                                      
REMARK 465     CYS B    53                                                      
REMARK 465     ARG B    54                                                      
REMARK 465     LEU B    55                                                      
REMARK 465     ASP B    56                                                      
REMARK 465     GLY B    57                                                      
REMARK 465     LYS B    58                                                      
REMARK 465     THR B    59                                                      
REMARK 465     VAL B    60                                                      
REMARK 465     ALA B    61                                                      
REMARK 465     LEU B    62                                                      
REMARK 465     LYS B    63                                                      
REMARK 465     LYS B    64                                                      
REMARK 465     VAL B    65                                                      
REMARK 465     GLN B    66                                                      
REMARK 465     ILE B    67                                                      
REMARK 465     PHE B    68                                                      
REMARK 465     ASP B    69                                                      
REMARK 465     LEU B    70                                                      
REMARK 465     MET B    71                                                      
REMARK 465     ASP B    72                                                      
REMARK 465     ALA B    73                                                      
REMARK 465     LYS B    74                                                      
REMARK 465     ALA B    75                                                      
REMARK 465     ARG B    76                                                      
REMARK 465     ALA B    77                                                      
REMARK 465     ASP B    78                                                      
REMARK 465     CYS B    79                                                      
REMARK 465     ILE B    80                                                      
REMARK 465     LYS B    81                                                      
REMARK 465     GLU B    82                                                      
REMARK 465     ILE B    83                                                      
REMARK 465     ASP B    84                                                      
REMARK 465     LEU B    85                                                      
REMARK 465     LEU B    86                                                      
REMARK 465     ALA B    87                                                      
REMARK 465     GLN B    88                                                      
REMARK 465     LEU B    89                                                      
REMARK 465     ASN B    90                                                      
REMARK 465     HIS B    91                                                      
REMARK 465     PRO B    92                                                      
REMARK 465     ASN B    93                                                      
REMARK 465     VAL B    94                                                      
REMARK 465     ILE B    95                                                      
REMARK 465     LYS B    96                                                      
REMARK 465     TYR B    97                                                      
REMARK 465     TYR B    98                                                      
REMARK 465     VAL B    99                                                      
REMARK 465     CYS B   100                                                      
REMARK 465     PHE B   101                                                      
REMARK 465     ILE B   102                                                      
REMARK 465     THR B   103                                                      
REMARK 465     GLY B   104                                                      
REMARK 465     ASN B   105                                                      
REMARK 465     GLU B   106                                                      
REMARK 465     LEU B   107                                                      
REMARK 465     ASN B   108                                                      
REMARK 465     ILE B   109                                                      
REMARK 465     VAL B   110                                                      
REMARK 465     LEU B   111                                                      
REMARK 465     GLU B   112                                                      
REMARK 465     GLY B   181                                                      
REMARK 465     LEU B   182                                                      
REMARK 465     GLY B   183                                                      
REMARK 465     ARG B   184                                                      
REMARK 465     PHE B   185                                                      
REMARK 465     PHE B   186                                                      
REMARK 465     SER B   187                                                      
REMARK 465     SER B   188                                                      
REMARK 465     LYS B   189                                                      
REMARK 465     THR B   190                                                      
REMARK 465     THR B   191                                                      
REMARK 465     ALA B   192                                                      
REMARK 465     ALA B   193                                                      
REMARK 465     HIS B   194                                                      
REMARK 465     SER B   195                                                      
REMARK 465     LEU B   196                                                      
REMARK 465     VAL B   197                                                      
REMARK 465     GLY B   198                                                      
REMARK 465     GLY B   238                                                      
REMARK 465     ASP B   239                                                      
REMARK 465     LYS B   240                                                      
REMARK 465     SER B   301                                                      
REMARK 465     SER B   302                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     HIS A 175    CG   ND1  CD2  CE1  NE2                             
REMARK 470     ARG A 176    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ILE A 201    CG1  CG2  CD1                                       
REMARK 470     THR A 245    OG1  CG2                                            
REMARK 470     LEU A 246    CG   CD1  CD2                                       
REMARK 470     GLN A 248    CG   CD   OE1  NE2                                  
REMARK 470     ARG A 290    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A 291    CG   CD   CE   NZ                                   
REMARK 470     ASP A 319    CG   OD1  OD2                                       
REMARK 470     TRP A 320    CG   CD1  CD2  NE1  CE2  CE3  CZ2                   
REMARK 470     TRP A 320    CZ3  CH2                                            
REMARK 470     GLN A 321    CG   CD   OE1  NE2                                  
REMARK 470     LYS A 322    CG   CD   CE   NZ                                   
REMARK 470     GLU A 324    CG   CD   OE1  OE2                                  
REMARK 470     ARG A 325    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG A 452    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LEU A 505    CG   CD1  CD2                                       
REMARK 470     PHE A 506    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     GLU A 535    CG   CD   OE1  OE2                                  
REMARK 470     LYS A 550    CG   CD   CE   NZ                                   
REMARK 470     LEU A 551    CG   CD1  CD2                                       
REMARK 470     ARG A 554    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     TYR A 563    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470     PHE A 579    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     ARG A 586    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     THR A 587    OG1  CG2                                            
REMARK 470     LYS A 617    CG   CD   CE   NZ                                   
REMARK 470     ASP A 639    CG   OD1  OD2                                       
REMARK 470     GLN A 642    CG   CD   OE1  NE2                                  
REMARK 470     ILE A 651    CG1  CG2  CD1                                       
REMARK 470     GLU A 652    CG   CD   OE1  OE2                                  
REMARK 470     ARG A 777    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASP A 805    CG   OD1  OD2                                       
REMARK 470     GLN A 967    CG   CD   OE1  NE2                                  
REMARK 470     THR B 199    OG1  CG2                                            
REMARK 470     LYS B 248    CG   CD   CE   NZ                                   
REMARK 470     GLU B 280    CD   OE1  OE2                                       
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    ASP A 211       47.84    -88.92                                   
REMARK 500    HIS A 213       17.72   -143.01                                   
REMARK 500    ALA A 225     -166.81    -78.29                                   
REMARK 500    SER A 263        2.71    -62.39                                   
REMARK 500    GLN A 267       68.28     62.16                                   
REMARK 500    SER A 269     -160.42    -79.64                                   
REMARK 500    PRO A 281       76.77    -68.73                                   
REMARK 500    ALA A 308       42.11   -141.87                                   
REMARK 500    HIS A 312     -164.12    -77.41                                   
REMARK 500    ARG A 325       56.25    -90.21                                   
REMARK 500    ASP A 361      -33.26   -130.44                                   
REMARK 500    HIS A 362       74.30     48.01                                   
REMARK 500    LEU A 403       -0.41     70.11                                   
REMARK 500    LYS A 428       62.37     61.96                                   
REMARK 500    SER A 429       35.10   -140.58                                   
REMARK 500    THR A 433       48.30     37.15                                   
REMARK 500    THR A 436     -168.35   -122.53                                   
REMARK 500    LEU A 449       31.74    -94.30                                   
REMARK 500    GLN A 478       67.02     61.80                                   
REMARK 500    GLU A 484       28.41     48.05                                   
REMARK 500    LEU A 492       67.21     60.93                                   
REMARK 500    PHE A 506       31.85   -141.06                                   
REMARK 500    CYS A 512      -11.41     72.43                                   
REMARK 500    GLU A 513      -66.80   -122.08                                   
REMARK 500    LYS A 514      -16.30   -144.26                                   
REMARK 500    MET A 521       -9.09     66.94                                   
REMARK 500    ARG A 643        0.59     80.04                                   
REMARK 500    LEU A 718       66.53   -100.12                                   
REMARK 500    LEU A 723       68.39     60.65                                   
REMARK 500    THR A 724       71.67   -100.46                                   
REMARK 500    GLU A 743      161.03    179.52                                   
REMARK 500    ASN A 749     -168.46   -118.33                                   
REMARK 500    PRO A 754       39.27    -91.66                                   
REMARK 500    LEU A 759       -0.66     75.19                                   
REMARK 500    ASP A 805       -1.91     65.75                                   
REMARK 500    PHE A 811      -10.81     69.04                                   
REMARK 500    ASN A 826       47.55    -95.12                                   
REMARK 500    SER A 834        2.38     59.87                                   
REMARK 500    THR A 856      -32.28   -132.09                                   
REMARK 500    SER A 868       -9.11     71.06                                   
REMARK 500    ALA A 877       46.22   -144.62                                   
REMARK 500    LEU A 915      111.42   -161.51                                   
REMARK 500    GLN A 942     -154.21    -93.44                                   
REMARK 500    VAL A 943      129.71    -39.35                                   
REMARK 500    ASP A 947      -61.50   -102.35                                   
REMARK 500    ASN A 976       33.81    -88.48                                   
REMARK 500    GLN A 994       71.65     58.89                                   
REMARK 500    GLN A 999      -55.36   -120.06                                   
REMARK 500    SER A1033      -16.42   -140.49                                   
REMARK 500    ARG B 160       -5.08     68.42                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      52 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ADP A 1101                
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: EMD-0476   RELATED DB: EMDB                              
REMARK 900 HS01                                                                 
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 THE SEQUENCE IS ACCORDING TO NP_001230062.1 ISOFORM WHICH LACKS 2    
REMARK 999 RESIDUES FROM N-TERMINUS. TOTAL RESIDUES ARE 1034AA AS COMPARED TO   
REMARK 999 1036 IN UNP Q96P20.                                                  
DBREF  6NPY A    1  1034  UNP    Q96P20   NLRP3_HUMAN      3   1036             
DBREF  6NPY B   27    33  UNP    P19525   E2AK2_HUMAN    260    266             
DBREF  6NPY B   34   302  UNP    Q8TDX7   NEK7_HUMAN      34    302             
SEQADV 6NPY ILE A  133  UNP  Q96P20    ASP   135 ENGINEERED MUTATION            
SEQADV 6NPY CYS A  135  UNP  Q96P20    ARG   137 ENGINEERED MUTATION            
SEQADV 6NPY ALA A  136  UNP  Q96P20    LYS   138 ENGINEERED MUTATION            
SEQADV 6NPY ALA A  140  UNP  Q96P20    LYS   142 ENGINEERED MUTATION            
SEQADV 6NPY GLY B   24  UNP  P19525              EXPRESSION TAG                 
SEQADV 6NPY SER B   25  UNP  P19525              EXPRESSION TAG                 
SEQADV 6NPY THR B   26  UNP  P19525              EXPRESSION TAG                 
SEQADV 6NPY ARG B   54  UNP  Q8TDX7    LEU    54 ENGINEERED MUTATION            
SEQADV 6NPY LYS B   58  UNP  Q8TDX7    VAL    58 ENGINEERED MUTATION            
SEQADV 6NPY THR B   59  UNP  Q8TDX7    PRO    59 ENGINEERED MUTATION            
SEQADV 6NPY ALA B   87  UNP  Q8TDX7    LYS    87 ENGINEERED MUTATION            
SEQADV 6NPY VAL B   99  UNP  Q8TDX7    ALA    99 ENGINEERED MUTATION            
SEQADV 6NPY CYS B  100  UNP  Q8TDX7    SER   100 ENGINEERED MUTATION            
SEQADV 6NPY THR B  103  UNP  Q8TDX7    GLU   103 ENGINEERED MUTATION            
SEQADV 6NPY GLY B  104  UNP  Q8TDX7    ASP   104 ENGINEERED MUTATION            
SEQRES   1 A 1034  MET ALA SER THR ARG CYS LYS LEU ALA ARG TYR LEU GLU          
SEQRES   2 A 1034  ASP LEU GLU ASP VAL ASP LEU LYS LYS PHE LYS MET HIS          
SEQRES   3 A 1034  LEU GLU ASP TYR PRO PRO GLN LYS GLY CYS ILE PRO LEU          
SEQRES   4 A 1034  PRO ARG GLY GLN THR GLU LYS ALA ASP HIS VAL ASP LEU          
SEQRES   5 A 1034  ALA THR LEU MET ILE ASP PHE ASN GLY GLU GLU LYS ALA          
SEQRES   6 A 1034  TRP ALA MET ALA VAL TRP ILE PHE ALA ALA ILE ASN ARG          
SEQRES   7 A 1034  ARG ASP LEU TYR GLU LYS ALA LYS ARG ASP GLU PRO LYS          
SEQRES   8 A 1034  TRP GLY SER ASP ASN ALA ARG VAL SER ASN PRO THR VAL          
SEQRES   9 A 1034  ILE CYS GLN GLU ASP SER ILE GLU GLU GLU TRP MET GLY          
SEQRES  10 A 1034  LEU LEU GLU TYR LEU SER ARG ILE SER ILE CYS LYS MET          
SEQRES  11 A 1034  LYS LYS ILE TYR CYS ALA LYS TYR ARG ALA TYR VAL ARG          
SEQRES  12 A 1034  SER ARG PHE GLN CYS ILE GLU ASP ARG ASN ALA ARG LEU          
SEQRES  13 A 1034  GLY GLU SER VAL SER LEU ASN LYS ARG TYR THR ARG LEU          
SEQRES  14 A 1034  ARG LEU ILE LYS GLU HIS ARG SER GLN GLN GLU ARG GLU          
SEQRES  15 A 1034  GLN GLU LEU LEU ALA ILE GLY LYS THR LYS THR CYS GLU          
SEQRES  16 A 1034  SER PRO VAL SER PRO ILE LYS MET GLU LEU LEU PHE ASP          
SEQRES  17 A 1034  PRO ASP ASP GLU HIS SER GLU PRO VAL HIS THR VAL VAL          
SEQRES  18 A 1034  PHE GLN GLY ALA ALA GLY ILE GLY LYS THR ILE LEU ALA          
SEQRES  19 A 1034  ARG LYS MET MET LEU ASP TRP ALA SER GLY THR LEU TYR          
SEQRES  20 A 1034  GLN ASP ARG PHE ASP TYR LEU PHE TYR ILE HIS CYS ARG          
SEQRES  21 A 1034  GLU VAL SER LEU VAL THR GLN ARG SER LEU GLY ASP LEU          
SEQRES  22 A 1034  ILE MET SER CYS CYS PRO ASP PRO ASN PRO PRO ILE HIS          
SEQRES  23 A 1034  LYS ILE VAL ARG LYS PRO SER ARG ILE LEU PHE LEU MET          
SEQRES  24 A 1034  ASP GLY PHE ASP GLU LEU GLN GLY ALA PHE ASP GLU HIS          
SEQRES  25 A 1034  ILE GLY PRO LEU CYS THR ASP TRP GLN LYS ALA GLU ARG          
SEQRES  26 A 1034  GLY ASP ILE LEU LEU SER SER LEU ILE ARG LYS LYS LEU          
SEQRES  27 A 1034  LEU PRO GLU ALA SER LEU LEU ILE THR THR ARG PRO VAL          
SEQRES  28 A 1034  ALA LEU GLU LYS LEU GLN HIS LEU LEU ASP HIS PRO ARG          
SEQRES  29 A 1034  HIS VAL GLU ILE LEU GLY PHE SER GLU ALA LYS ARG LYS          
SEQRES  30 A 1034  GLU TYR PHE PHE LYS TYR PHE SER ASP GLU ALA GLN ALA          
SEQRES  31 A 1034  ARG ALA ALA PHE SER LEU ILE GLN GLU ASN GLU VAL LEU          
SEQRES  32 A 1034  PHE THR MET CYS PHE ILE PRO LEU VAL CYS TRP ILE VAL          
SEQRES  33 A 1034  CYS THR GLY LEU LYS GLN GLN MET GLU SER GLY LYS SER          
SEQRES  34 A 1034  LEU ALA GLN THR SER LYS THR THR THR ALA VAL TYR VAL          
SEQRES  35 A 1034  PHE PHE LEU SER SER LEU LEU GLN PRO ARG GLY GLY SER          
SEQRES  36 A 1034  GLN GLU HIS GLY LEU CYS ALA HIS LEU TRP GLY LEU CYS          
SEQRES  37 A 1034  SER LEU ALA ALA ASP GLY ILE TRP ASN GLN LYS ILE LEU          
SEQRES  38 A 1034  PHE GLU GLU SER ASP LEU ARG ASN HIS GLY LEU GLN LYS          
SEQRES  39 A 1034  ALA ASP VAL SER ALA PHE LEU ARG MET ASN LEU PHE GLN          
SEQRES  40 A 1034  LYS GLU VAL ASP CYS GLU LYS PHE TYR SER PHE ILE HIS          
SEQRES  41 A 1034  MET THR PHE GLN GLU PHE PHE ALA ALA MET TYR TYR LEU          
SEQRES  42 A 1034  LEU GLU GLU GLU LYS GLU GLY ARG THR ASN VAL PRO GLY          
SEQRES  43 A 1034  SER ARG LEU LYS LEU PRO SER ARG ASP VAL THR VAL LEU          
SEQRES  44 A 1034  LEU GLU ASN TYR GLY LYS PHE GLU LYS GLY TYR LEU ILE          
SEQRES  45 A 1034  PHE VAL VAL ARG PHE LEU PHE GLY LEU VAL ASN GLN GLU          
SEQRES  46 A 1034  ARG THR SER TYR LEU GLU LYS LYS LEU SER CYS LYS ILE          
SEQRES  47 A 1034  SER GLN GLN ILE ARG LEU GLU LEU LEU LYS TRP ILE GLU          
SEQRES  48 A 1034  VAL LYS ALA LYS ALA LYS LYS LEU GLN ILE GLN PRO SER          
SEQRES  49 A 1034  GLN LEU GLU LEU PHE TYR CYS LEU TYR GLU MET GLN GLU          
SEQRES  50 A 1034  GLU ASP PHE VAL GLN ARG ALA MET ASP TYR PHE PRO LYS          
SEQRES  51 A 1034  ILE GLU ILE ASN LEU SER THR ARG MET ASP HIS MET VAL          
SEQRES  52 A 1034  SER SER PHE CYS ILE GLU ASN CYS HIS ARG VAL GLU SER          
SEQRES  53 A 1034  LEU SER LEU GLY PHE LEU HIS ASN MET PRO LYS GLU GLU          
SEQRES  54 A 1034  GLU GLU GLU GLU LYS GLU GLY ARG HIS LEU ASP MET VAL          
SEQRES  55 A 1034  GLN CYS VAL LEU PRO SER SER SER HIS ALA ALA CYS SER          
SEQRES  56 A 1034  HIS GLY LEU VAL ASN SER HIS LEU THR SER SER PHE CYS          
SEQRES  57 A 1034  ARG GLY LEU PHE SER VAL LEU SER THR SER GLN SER LEU          
SEQRES  58 A 1034  THR GLU LEU ASP LEU SER ASP ASN SER LEU GLY ASP PRO          
SEQRES  59 A 1034  GLY MET ARG VAL LEU CYS GLU THR LEU GLN HIS PRO GLY          
SEQRES  60 A 1034  CYS ASN ILE ARG ARG LEU TRP LEU GLY ARG CYS GLY LEU          
SEQRES  61 A 1034  SER HIS GLU CYS CYS PHE ASP ILE SER LEU VAL LEU SER          
SEQRES  62 A 1034  SER ASN GLN LYS LEU VAL GLU LEU ASP LEU SER ASP ASN          
SEQRES  63 A 1034  ALA LEU GLY ASP PHE GLY ILE ARG LEU LEU CYS VAL GLY          
SEQRES  64 A 1034  LEU LYS HIS LEU LEU CYS ASN LEU LYS LYS LEU TRP LEU          
SEQRES  65 A 1034  VAL SER CYS CYS LEU THR SER ALA CYS CYS GLN ASP LEU          
SEQRES  66 A 1034  ALA SER VAL LEU SER THR SER HIS SER LEU THR ARG LEU          
SEQRES  67 A 1034  TYR VAL GLY GLU ASN ALA LEU GLY ASP SER GLY VAL ALA          
SEQRES  68 A 1034  ILE LEU CYS GLU LYS ALA LYS ASN PRO GLN CYS ASN LEU          
SEQRES  69 A 1034  GLN LYS LEU GLY LEU VAL ASN SER GLY LEU THR SER VAL          
SEQRES  70 A 1034  CYS CYS SER ALA LEU SER SER VAL LEU SER THR ASN GLN          
SEQRES  71 A 1034  ASN LEU THR HIS LEU TYR LEU ARG GLY ASN THR LEU GLY          
SEQRES  72 A 1034  ASP LYS GLY ILE LYS LEU LEU CYS GLU GLY LEU LEU HIS          
SEQRES  73 A 1034  PRO ASP CYS LYS LEU GLN VAL LEU GLU LEU ASP ASN CYS          
SEQRES  74 A 1034  ASN LEU THR SER HIS CYS CYS TRP ASP LEU SER THR LEU          
SEQRES  75 A 1034  LEU THR SER SER GLN SER LEU ARG LYS LEU SER LEU GLY          
SEQRES  76 A 1034  ASN ASN ASP LEU GLY ASP LEU GLY VAL MET MET PHE CYS          
SEQRES  77 A 1034  GLU VAL LEU LYS GLN GLN SER CYS LEU LEU GLN ASN LEU          
SEQRES  78 A 1034  GLY LEU SER GLU MET TYR PHE ASN TYR GLU THR LYS SER          
SEQRES  79 A 1034  ALA LEU GLU THR LEU GLN GLU GLU LYS PRO GLU LEU THR          
SEQRES  80 A 1034  VAL VAL PHE GLU PRO SER TRP                                  
SEQRES   1 B  279  GLY SER THR ASP LYS ARG PHE GLY MET ASP PHE ARG ILE          
SEQRES   2 B  279  GLU LYS LYS ILE GLY ARG GLY GLN PHE SER GLU VAL TYR          
SEQRES   3 B  279  ARG ALA ALA CYS ARG LEU ASP GLY LYS THR VAL ALA LEU          
SEQRES   4 B  279  LYS LYS VAL GLN ILE PHE ASP LEU MET ASP ALA LYS ALA          
SEQRES   5 B  279  ARG ALA ASP CYS ILE LYS GLU ILE ASP LEU LEU ALA GLN          
SEQRES   6 B  279  LEU ASN HIS PRO ASN VAL ILE LYS TYR TYR VAL CYS PHE          
SEQRES   7 B  279  ILE THR GLY ASN GLU LEU ASN ILE VAL LEU GLU LEU ALA          
SEQRES   8 B  279  ASP ALA GLY ASP LEU SER ARG MET ILE LYS HIS PHE LYS          
SEQRES   9 B  279  LYS GLN LYS ARG LEU ILE PRO GLU ARG THR VAL TRP LYS          
SEQRES  10 B  279  TYR PHE VAL GLN LEU CYS SER ALA LEU GLU HIS MET HIS          
SEQRES  11 B  279  SER ARG ARG VAL MET HIS ARG ASP ILE LYS PRO ALA ASN          
SEQRES  12 B  279  VAL PHE ILE THR ALA THR GLY VAL VAL LYS LEU GLY ASP          
SEQRES  13 B  279  LEU GLY LEU GLY ARG PHE PHE SER SER LYS THR THR ALA          
SEQRES  14 B  279  ALA HIS SER LEU VAL GLY THR PRO TYR TYR MET SER PRO          
SEQRES  15 B  279  GLU ARG ILE HIS GLU ASN GLY TYR ASN PHE LYS SER ASP          
SEQRES  16 B  279  ILE TRP SER LEU GLY CYS LEU LEU TYR GLU MET ALA ALA          
SEQRES  17 B  279  LEU GLN SER PRO PHE TYR GLY ASP LYS MET ASN LEU TYR          
SEQRES  18 B  279  SER LEU CYS LYS LYS ILE GLU GLN CYS ASP TYR PRO PRO          
SEQRES  19 B  279  LEU PRO SER ASP HIS TYR SER GLU GLU LEU ARG GLN LEU          
SEQRES  20 B  279  VAL ASN MET CYS ILE ASN PRO ASP PRO GLU LYS ARG PRO          
SEQRES  21 B  279  ASP VAL THR TYR VAL TYR ASP VAL ALA LYS ARG MET HIS          
SEQRES  22 B  279  ALA CYS THR ALA SER SER                                      
HET    ADP  A1101      27                                                       
HETNAM     ADP ADENOSINE-5'-DIPHOSPHATE                                         
FORMUL   3  ADP    C10 H15 N5 O10 P2                                            
HELIX    1 AA1 TYR A  134  CYS A  148  1                                  15    
HELIX    2 AA2 GLY A  229  SER A  243  1                                  15    
HELIX    3 AA3 HIS A  286  LYS A  291  1                                   6    
HELIX    4 AA4 GLY A  301  LEU A  305  5                                   5    
HELIX    5 AA5 SER A  331  LEU A  338  1                                   8    
HELIX    6 AA6 ALA A  352  HIS A  358  1                                   7    
HELIX    7 AA7 SER A  372  PHE A  384  1                                  13    
HELIX    8 AA8 ARG A  391  GLU A  399  1                                   9    
HELIX    9 AA9 THR A  405  PHE A  408  5                                   4    
HELIX   10 AB1 ILE A  409  THR A  418  1                                  10    
HELIX   11 AB2 THR A  436  LEU A  449  1                                  14    
HELIX   12 AB3 LEU A  460  ALA A  472  1                                  13    
HELIX   13 AB4 ALA A  472  ASN A  477  1                                   6    
HELIX   14 AB5 SER A  485  GLY A  491  1                                   7    
HELIX   15 AB6 LYS A  494  LEU A  505  1                                  12    
HELIX   16 AB7 LYS A  508  CYS A  512  5                                   5    
HELIX   17 AB8 MET A  521  GLU A  535  1                                  15    
HELIX   18 AB9 VAL A  544  LEU A  551  1                                   8    
HELIX   19 AC1 PRO A  552  ARG A  554  5                                   3    
HELIX   20 AC2 ASN A  562  PHE A  577  1                                  16    
HELIX   21 AC3 VAL A  582  ARG A  586  5                                   5    
HELIX   22 AC4 LYS A  617  GLU A  634  1                                  18    
HELIX   23 AC5 ASP A  646  ILE A  651  1                                   6    
HELIX   24 AC6 MET A  685  GLU A  690  5                                   6    
HELIX   25 AC7 CYS A  704  ALA A  712  1                                   9    
HELIX   26 AC8 CYS A  728  THR A  737  1                                  10    
HELIX   27 AC9 GLY A  752  ARG A  757  1                                   6    
HELIX   28 AD1 LEU A  759  GLN A  764  1                                   6    
HELIX   29 AD2 GLU A  783  SER A  794  1                                  12    
HELIX   30 AD3 PHE A  811  LEU A  823  1                                  13    
HELIX   31 AD4 CYS A  841  SER A  852  1                                  12    
HELIX   32 AD5 GLY A  869  LYS A  876  1                                   8    
HELIX   33 AD6 LEU A  894  ASN A  909  1                                  16    
HELIX   34 AD7 GLY A  923  LEU A  935  1                                  13    
HELIX   35 AD8 HIS A  954  SER A  966  1                                  13    
HELIX   36 AD9 LEU A  979  GLN A  993  1                                  15    
HELIX   37 AE1 ASN A 1009  LEU A 1019  1                                  11    
HELIX   38 AE2 LEU B  119  LYS B  130  1                                  12    
HELIX   39 AE3 PRO B  134  ARG B  155  1                                  22    
HELIX   40 AE4 LYS B  163  ASN B  166  5                                   4    
HELIX   41 AE5 SER B  204  HIS B  209  1                                   6    
HELIX   42 AE6 ASN B  214  LEU B  232  1                                  19    
HELIX   43 AE7 LEU B  243  CYS B  253  1                                  11    
HELIX   44 AE8 SER B  264  ILE B  275  1                                  12    
HELIX   45 AE9 ASP B  278  ARG B  282  5                                   5    
HELIX   46 AF1 ASP B  284  CYS B  298  1                                  15    
SHEET    1 AA1 6 ARG A 170  ILE A 172  0                                        
SHEET    2 AA1 6 ARG A 364  LEU A 369 -1  O  GLU A 367   N  ILE A 172           
SHEET    3 AA1 6 THR A 219  GLN A 223  1  N  VAL A 221   O  VAL A 366           
SHEET    4 AA1 6 SER A 343  THR A 348  1  O  THR A 348   N  PHE A 222           
SHEET    5 AA1 6 ILE A 295  ASP A 300  1  N  PHE A 297   O  SER A 343           
SHEET    6 AA1 6 TYR A 253  HIS A 258  1  N  ILE A 257   O  LEU A 298           
SHEET    1 AA2 5 LEU A 744  ASP A 745  0                                        
SHEET    2 AA2 5 LEU A 773  GLY A 776  1  O  TRP A 774   N  LEU A 744           
SHEET    3 AA2 5 GLU A 800  SER A 804  1  O  GLU A 800   N  LEU A 773           
SHEET    4 AA2 5 LYS A 829  TRP A 831  1  O  TRP A 831   N  LEU A 801           
SHEET    5 AA2 5 ARG A 857  TYR A 859  1  O  ARG A 857   N  LEU A 830           
SHEET    1 AA3 2 LEU A 915  TYR A 916  0                                        
SHEET    2 AA3 2 LEU A 944  GLU A 945  1  O  GLU A 945   N  LEU A 915           
SHEET    1 AA4 2 GLY B 117  ASP B 118  0                                        
SHEET    2 AA4 2 PHE B 168  ILE B 169 -1  O  ILE B 169   N  GLY B 117           
SITE     1 AC1 11 ARG A 165  TYR A 166  THR A 167  GLY A 229                    
SITE     2 AC1 11 LYS A 230  THR A 231  ILE A 232  TYR A 379                    
SITE     3 AC1 11 LEU A 411  TRP A 414  HIS A 520                               
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                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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