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Database: PDB
Entry: 5EP6
LinkDB: 5EP6
Original site: 5EP6 
HEADER    PROTEIN BINDING/TRANSFERASE             11-NOV-15   5EP6              
TITLE     THE CRYSTAL STRUCTURE OF NAP1 IN COMPLEX WITH TBK1                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: 5-AZACYTIDINE-INDUCED PROTEIN 2;                           
COMPND   3 CHAIN: A, C;                                                         
COMPND   4 FRAGMENT: UNP RESIDUES 215-255;                                      
COMPND   5 SYNONYM: NF-KAPPA-B-ACTIVATING KINASE-ASSOCIATED PROTEIN 1,NAK-      
COMPND   6 ASSOCIATED PROTEIN 1,TILP;                                           
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MOL_ID: 2;                                                           
COMPND   9 MOLECULE: SERINE/THREONINE-PROTEIN KINASE TBK1;                      
COMPND  10 CHAIN: B, D;                                                         
COMPND  11 FRAGMENT: UNP RESIDUES 677-729;                                      
COMPND  12 SYNONYM: NF-KAPPA-B-ACTIVATING KINASE,T2K,TANK-BINDING KINASE 1;     
COMPND  13 EC: 2.7.11.1;                                                        
COMPND  14 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: AZI2, NAP1, TBKBP2;                                            
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  10 ORGANISM_COMMON: HUMAN;                                              
SOURCE  11 ORGANISM_TAXID: 9606;                                                
SOURCE  12 GENE: TBK1, NAK;                                                     
SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    NAP1, TBK1, CALCOCO2, PROTEIN BINDING-TRANSFERASE COMPLEX             
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    F.LI,X.XIE,J.LIU,L.PAN                                                
REVDAT   1   28-SEP-16 5EP6    0                                                
JRNL        AUTH   F.LI,X.XIE,Y.WANG,J.LIU,X.CHENG,Y.GUO,Y.GONG,S.HU,L.PAN      
JRNL        TITL   STRUCTURAL INSIGHTS INTO THE INTERACTION AND DISEASE         
JRNL        TITL 2 MECHANISM OF NEURODEGENERATIVE DISEASE-ASSOCIATED OPTINEURIN 
JRNL        TITL 3 AND TBK1 PROTEINS.                                           
JRNL        REF    NAT COMMUN                    V.   7 12708 2016              
JRNL        REFN                   ESSN 2041-1723                               
JRNL        PMID   27620379                                                     
JRNL        DOI    10.1038/NCOMMS12708                                          
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.45 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.8.2_1309                                    
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.45                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 43.09                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.350                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.5                           
REMARK   3   NUMBER OF REFLECTIONS             : 31329                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.188                           
REMARK   3   R VALUE            (WORKING SET) : 0.187                           
REMARK   3   FREE R VALUE                     : 0.217                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.050                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1583                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 43.1109 -  3.2260    0.95     2788   143  0.2146 0.2256        
REMARK   3     2  3.2260 -  2.5606    1.00     2796   149  0.1999 0.2378        
REMARK   3     3  2.5606 -  2.2370    1.00     2747   153  0.1716 0.1911        
REMARK   3     4  2.2370 -  2.0324    1.00     2744   148  0.1547 0.1782        
REMARK   3     5  2.0324 -  1.8868    1.00     2744   130  0.1616 0.2302        
REMARK   3     6  1.8868 -  1.7755    1.00     2729   137  0.1642 0.2061        
REMARK   3     7  1.7755 -  1.6866    1.00     2691   168  0.1535 0.2309        
REMARK   3     8  1.6866 -  1.6132    1.00     2688   142  0.1513 0.2067        
REMARK   3     9  1.6132 -  1.5511    1.00     2738   140  0.1587 0.2033        
REMARK   3    10  1.5511 -  1.4975    0.99     2687   143  0.1715 0.2569        
REMARK   3    11  1.4975 -  1.4507    0.89     2394   130  0.2042 0.2411        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.130            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 21.760           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.006           1541                                  
REMARK   3   ANGLE     :  0.994           2090                                  
REMARK   3   CHIRALITY :  0.060            232                                  
REMARK   3   PLANARITY :  0.003            266                                  
REMARK   3   DIHEDRAL  : 17.787            638                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 5EP6 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 16-NOV-15.                  
REMARK 100 THE DEPOSITION ID IS D_1000215298.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 20-JUN-04                          
REMARK 200  TEMPERATURE           (KELVIN) : 298.15                             
REMARK 200  PH                             : 7.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRF                               
REMARK 200  BEAMLINE                       : BL17U                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9791                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 31428                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.450                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.8                               
REMARK 200  DATA REDUNDANCY                : 6.800                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 27.5000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL                         
REMARK 200 SOFTWARE USED: PHENIX                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 32.76                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.83                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 1% W/V TRYPTONE, 0.05 M HEPES SODIUM     
REMARK 280  (PH 7.0), 12% W/V PEG 3350, VAPOR DIFFUSION, SITTING DROP,          
REMARK 280  TEMPERATURE 291.15K                                                 
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000       20.68000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       42.20800            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       25.05650            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       42.20800            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       20.68000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       25.05650            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1620 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 7030 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -18.0 KCAL/MOL                        
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 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 2520 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 7250 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -22.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D                                  
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     THR A   251                                                      
REMARK 465     ALA A   252                                                      
REMARK 465     ILE A   253                                                      
REMARK 465     LYS A   254                                                      
REMARK 465     LYS A   255                                                      
REMARK 465     GLU A   256                                                      
REMARK 465     ASN A   257                                                      
REMARK 465     LEU A   258                                                      
REMARK 465     TYR A   259                                                      
REMARK 465     PHE A   260                                                      
REMARK 465     GLN A   261                                                      
REMARK 465     SER C   250                                                      
REMARK 465     THR C   251                                                      
REMARK 465     ALA C   252                                                      
REMARK 465     ILE C   253                                                      
REMARK 465     LYS C   254                                                      
REMARK 465     LYS C   255                                                      
REMARK 465     GLU C   256                                                      
REMARK 465     ASN C   257                                                      
REMARK 465     LEU C   258                                                      
REMARK 465     TYR C   259                                                      
REMARK 465     PHE C   260                                                      
REMARK 465     GLN C   261                                                      
REMARK 465     SER B   672                                                      
REMARK 465     GLY B   673                                                      
REMARK 465     SER B   674                                                      
REMARK 465     GLY B   675                                                      
REMARK 465     SER B   676                                                      
REMARK 465     TYR B   677                                                      
REMARK 465     PRO B   678                                                      
REMARK 465     ASN B   725                                                      
REMARK 465     VAL B   726                                                      
REMARK 465     ASP B   727                                                      
REMARK 465     CYS B   728                                                      
REMARK 465     LEU B   729                                                      
REMARK 465     SER D   672                                                      
REMARK 465     GLY D   673                                                      
REMARK 465     SER D   674                                                      
REMARK 465     GLY D   675                                                      
REMARK 465     SER D   676                                                      
REMARK 465     TYR D   677                                                      
REMARK 465     PRO D   678                                                      
REMARK 465     ASN D   725                                                      
REMARK 465     VAL D   726                                                      
REMARK 465     ASP D   727                                                      
REMARK 465     CYS D   728                                                      
REMARK 465     LEU D   729                                                      
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     GLU A 225    CD   OE1  OE2                                       
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   OE2  GLU B   685     O2   GOL D   802     3755     2.13            
REMARK 500   OE2  GLU A   242     NZ   LYS C   227     3745     2.16            
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 GOL A 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue GOL C 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue GOL B 801                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue GOL D 801                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue GOL D 802                 
DBREF  5EP6 A  215   255  UNP    Q9H6S1   AZI2_HUMAN     215    255             
DBREF  5EP6 C  215   255  UNP    Q9H6S1   AZI2_HUMAN     215    255             
DBREF  5EP6 B  677   729  UNP    Q9UHD2   TBK1_HUMAN     677    729             
DBREF  5EP6 D  677   729  UNP    Q9UHD2   TBK1_HUMAN     677    729             
SEQADV 5EP6 GLU A  256  UNP  Q9H6S1              EXPRESSION TAG                 
SEQADV 5EP6 ASN A  257  UNP  Q9H6S1              EXPRESSION TAG                 
SEQADV 5EP6 LEU A  258  UNP  Q9H6S1              EXPRESSION TAG                 
SEQADV 5EP6 TYR A  259  UNP  Q9H6S1              EXPRESSION TAG                 
SEQADV 5EP6 PHE A  260  UNP  Q9H6S1              EXPRESSION TAG                 
SEQADV 5EP6 GLN A  261  UNP  Q9H6S1              EXPRESSION TAG                 
SEQADV 5EP6 GLU C  256  UNP  Q9H6S1              EXPRESSION TAG                 
SEQADV 5EP6 ASN C  257  UNP  Q9H6S1              EXPRESSION TAG                 
SEQADV 5EP6 LEU C  258  UNP  Q9H6S1              EXPRESSION TAG                 
SEQADV 5EP6 TYR C  259  UNP  Q9H6S1              EXPRESSION TAG                 
SEQADV 5EP6 PHE C  260  UNP  Q9H6S1              EXPRESSION TAG                 
SEQADV 5EP6 GLN C  261  UNP  Q9H6S1              EXPRESSION TAG                 
SEQADV 5EP6 SER B  672  UNP  Q9UHD2              EXPRESSION TAG                 
SEQADV 5EP6 GLY B  673  UNP  Q9UHD2              EXPRESSION TAG                 
SEQADV 5EP6 SER B  674  UNP  Q9UHD2              EXPRESSION TAG                 
SEQADV 5EP6 GLY B  675  UNP  Q9UHD2              EXPRESSION TAG                 
SEQADV 5EP6 SER B  676  UNP  Q9UHD2              EXPRESSION TAG                 
SEQADV 5EP6 SER D  672  UNP  Q9UHD2              EXPRESSION TAG                 
SEQADV 5EP6 GLY D  673  UNP  Q9UHD2              EXPRESSION TAG                 
SEQADV 5EP6 SER D  674  UNP  Q9UHD2              EXPRESSION TAG                 
SEQADV 5EP6 GLY D  675  UNP  Q9UHD2              EXPRESSION TAG                 
SEQADV 5EP6 SER D  676  UNP  Q9UHD2              EXPRESSION TAG                 
SEQRES   1 A   47  SER SER ASP ASN MET GLN HIS ALA TYR TRP GLU LEU LYS          
SEQRES   2 A   47  ARG GLU MET SER ASN LEU HIS LEU VAL THR GLN VAL GLN          
SEQRES   3 A   47  ALA GLU LEU LEU ARG LYS LEU LYS THR SER THR ALA ILE          
SEQRES   4 A   47  LYS LYS GLU ASN LEU TYR PHE GLN                              
SEQRES   1 C   47  SER SER ASP ASN MET GLN HIS ALA TYR TRP GLU LEU LYS          
SEQRES   2 C   47  ARG GLU MET SER ASN LEU HIS LEU VAL THR GLN VAL GLN          
SEQRES   3 C   47  ALA GLU LEU LEU ARG LYS LEU LYS THR SER THR ALA ILE          
SEQRES   4 C   47  LYS LYS GLU ASN LEU TYR PHE GLN                              
SEQRES   1 B   58  SER GLY SER GLY SER TYR PRO SER SER ASN THR LEU VAL          
SEQRES   2 B   58  GLU MET THR LEU GLY MET LYS LYS LEU LYS GLU GLU MET          
SEQRES   3 B   58  GLU GLY VAL VAL LYS GLU LEU ALA GLU ASN ASN HIS ILE          
SEQRES   4 B   58  LEU GLU ARG PHE GLY SER LEU THR MET ASP GLY GLY LEU          
SEQRES   5 B   58  ARG ASN VAL ASP CYS LEU                                      
SEQRES   1 D   58  SER GLY SER GLY SER TYR PRO SER SER ASN THR LEU VAL          
SEQRES   2 D   58  GLU MET THR LEU GLY MET LYS LYS LEU LYS GLU GLU MET          
SEQRES   3 D   58  GLU GLY VAL VAL LYS GLU LEU ALA GLU ASN ASN HIS ILE          
SEQRES   4 D   58  LEU GLU ARG PHE GLY SER LEU THR MET ASP GLY GLY LEU          
SEQRES   5 D   58  ARG ASN VAL ASP CYS LEU                                      
HET    GOL  A 301       6                                                       
HET    GOL  C 301       6                                                       
HET    GOL  B 801       6                                                       
HET    GOL  D 801       6                                                       
HET    GOL  D 802       6                                                       
HETNAM     GOL GLYCEROL                                                         
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   5  GOL    5(C3 H8 O3)                                                  
FORMUL  10  HOH   *101(H2 O)                                                    
HELIX    1 AA1 SER A  215  LEU A  247  1                                  33    
HELIX    2 AA2 SER C  216  LEU C  247  1                                  32    
HELIX    3 AA3 SER B  680  PHE B  714  1                                  35    
HELIX    4 AA4 SER D  680  PHE D  714  1                                  35    
SHEET    1 AA1 3 LYS A 248  THR A 249  0                                        
SHEET    2 AA1 3 GLY B 715  LEU B 717  1  O  LEU B 717   N  LYS A 248           
SHEET    3 AA1 3 GLY D 715  LEU D 717 -1  O  SER D 716   N  SER B 716           
SITE     1 AC1  7 ARG A 228  SER A 231  ASN A 232  LEU C 235                    
SITE     2 AC1  7 GOL C 301  HOH C 417  HOH C 420                               
SITE     1 AC2  7 ARG A 228  GOL A 301  VAL C 236  VAL C 239                    
SITE     2 AC2  7 HOH C 417  ALA D 705  ASN D 708                               
SITE     1 AC3  5 ARG C 228  GLU C 229  ASN C 232  HOH C 413                    
SITE     2 AC3  5 HOH D 910                                                     
SITE     1 AC4  2 GLU D 695  GLU D 696                                          
SITE     1 AC5  6 GLU B 685  GLN C 220  TRP C 224  LYS C 227                    
SITE     2 AC5  6 HOH C 402  ARG D 724                                          
CRYST1   41.360   50.113   84.416  90.00  90.00  90.00 P 21 21 21    8          
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      0.024178  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.019955  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.011846        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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