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Entry: 5Z7G
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HEADER    SIGNALING PROTEIN                       28-JAN-18   5Z7G              
TITLE     CRYSTAL STRUCTURE OF TAX1BP1 SKICH REGION IN COMPLEX WITH NAP1        
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: TAX1-BINDING PROTEIN 1;                                    
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 SYNONYM: TRAF6-BINDING PROTEIN;                                      
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MOL_ID: 2;                                                           
COMPND   7 MOLECULE: 5-AZACYTIDINE-INDUCED PROTEIN 2;                           
COMPND   8 CHAIN: C, D;                                                         
COMPND   9 SYNONYM: NF-KAPPA-B-ACTIVATING KINASE-ASSOCIATED PROTEIN 1,NAK-      
COMPND  10 ASSOCIATED PROTEIN 1,TILP;                                           
COMPND  11 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: TAX1BP1, T6BP, PRO0105;                                        
SOURCE   6 EXPRESSION_SYSTEM: ENTEROBACTERIA PHAGE L1;                          
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 268588;                                     
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  10 ORGANISM_COMMON: HUMAN;                                              
SOURCE  11 ORGANISM_TAXID: 9606;                                                
SOURCE  12 GENE: AZI2, NAP1, TBKBP2;                                            
SOURCE  13 EXPRESSION_SYSTEM: ENTEROBACTERIA PHAGE L1;                          
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 268588                                      
KEYWDS    TAX1BP1, NAP1, SKICH DOMAIN, AUTOPHAGY RECEPTOR, SELECTIVE AUTOPHAGY, 
KEYWDS   2 SIGNALING PROTEIN                                                    
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    L.F.PAN,T.FU,J.P.LIU,X.Q.XIE,Y.L.WANG,S.C.HU                          
REVDAT   1   02-JAN-19 5Z7G    0                                                
JRNL        AUTH   T.FU,J.LIU,Y.WANG,X.XIE,S.HU,L.PAN                           
JRNL        TITL   MECHANISTIC INSIGHTS INTO THE INTERACTIONS OF NAP1 WITH THE  
JRNL        TITL 2 SKICH DOMAINS OF NDP52 AND TAX1BP1                           
JRNL        REF    PROC. NATL. ACAD. SCI.        V. 115 11651 2018              
JRNL        REF  2 U.S.A.                                                       
JRNL        REFN                   ESSN 1091-6490                               
JRNL        PMID   30459273                                                     
JRNL        DOI    10.1073/PNAS.1811421115                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.30 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (1.14_3260: ???)                              
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) : 2.30                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 29.62                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.390                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.5                           
REMARK   3   NUMBER OF REFLECTIONS             : 22878                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.189                           
REMARK   3   R VALUE            (WORKING SET) : 0.187                           
REMARK   3   FREE R VALUE                     : 0.233                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.160                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1181                            
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 29.6242 -  4.5978    0.98     2743   158  0.1717 0.2026        
REMARK   3     2  4.5978 -  3.6515    1.00     2747   139  0.1642 0.2218        
REMARK   3     3  3.6515 -  3.1906    0.99     2693   139  0.1862 0.2230        
REMARK   3     4  3.1906 -  2.8991    1.00     2749   123  0.2024 0.2491        
REMARK   3     5  2.8991 -  2.6915    1.00     2690   144  0.2117 0.2684        
REMARK   3     6  2.6915 -  2.5329    1.00     2731   152  0.2147 0.2699        
REMARK   3     7  2.5329 -  2.4061    1.00     2661   178  0.2239 0.2566        
REMARK   3     8  2.4061 -  2.3014    0.99     2683   148  0.2349 0.3230        
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)     : 0.260            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 24.350           
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      :  0.008           2634                                  
REMARK   3   ANGLE     :  0.853           3575                                  
REMARK   3   CHIRALITY :  0.052            367                                  
REMARK   3   PLANARITY :  0.005            453                                  
REMARK   3   DIHEDRAL  :  9.942           1913                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 13                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 12 THROUGH 20 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   0.2568  54.7122 -64.8550              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3825 T22:   0.3625                                     
REMARK   3      T33:   0.4104 T12:  -0.0240                                     
REMARK   3      T13:  -0.0080 T23:  -0.0292                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.2322 L22:   4.6784                                     
REMARK   3      L33:   4.3096 L12:   2.2547                                     
REMARK   3      L13:  -0.5758 L23:  -0.7379                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2687 S12:  -0.5083 S13:  -0.2849                       
REMARK   3      S21:   0.5463 S22:   0.0967 S23:  -0.5000                       
REMARK   3      S31:   0.3016 S32:   0.1307 S33:   0.1352                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 21 THROUGH 48 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  -9.6833  55.3761 -68.9990              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2532 T22:   0.2449                                     
REMARK   3      T33:   0.2607 T12:  -0.0239                                     
REMARK   3      T13:  -0.0340 T23:  -0.0416                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2594 L22:   1.5061                                     
REMARK   3      L33:   2.4398 L12:   0.3873                                     
REMARK   3      L13:  -0.3820 L23:  -0.3433                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1191 S12:   0.4829 S13:  -0.1946                       
REMARK   3      S21:  -0.2746 S22:   0.0880 S23:   0.0293                       
REMARK   3      S31:   0.0252 S32:  -0.1352 S33:  -0.1922                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 49 THROUGH 68 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  -9.9910  43.0907 -66.7099              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3398 T22:   0.2455                                     
REMARK   3      T33:   0.4405 T12:  -0.0294                                     
REMARK   3      T13:  -0.0663 T23:  -0.0468                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7434 L22:   1.8424                                     
REMARK   3      L33:   2.8648 L12:   0.0915                                     
REMARK   3      L13:  -0.0951 L23:   0.6705                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0440 S12:   0.0671 S13:  -0.8920                       
REMARK   3      S21:  -0.4156 S22:   0.2277 S23:   0.0282                       
REMARK   3      S31:   0.8274 S32:  -0.0760 S33:  -0.1946                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 69 THROUGH 80 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.3629  58.8783 -80.0578              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3950 T22:   0.5112                                     
REMARK   3      T33:   0.3762 T12:  -0.0328                                     
REMARK   3      T13:   0.0120 T23:  -0.0344                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6344 L22:   4.1207                                     
REMARK   3      L33:   3.3920 L12:   2.4141                                     
REMARK   3      L13:  -0.9514 L23:  -0.5186                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1294 S12:   0.9033 S13:  -0.0999                       
REMARK   3      S21:  -0.4764 S22:   0.6284 S23:  -0.1058                       
REMARK   3      S31:  -0.0700 S32:  -0.4309 S33:  -0.3305                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 81 THROUGH 105 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): -15.2177  50.0274 -66.0649              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2764 T22:   0.3297                                     
REMARK   3      T33:   0.3184 T12:  -0.0441                                     
REMARK   3      T13:  -0.0832 T23:  -0.0050                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5530 L22:   1.0495                                     
REMARK   3      L33:   1.3840 L12:   0.4925                                     
REMARK   3      L13:   0.0756 L23:   0.4213                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0028 S12:  -0.1136 S13:  -0.0773                       
REMARK   3      S21:  -0.2073 S22:   0.1297 S23:   0.1891                       
REMARK   3      S31:   0.2592 S32:  -0.2563 S33:  -0.1302                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 106 THROUGH 114 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   1.1267  46.7227 -70.1600              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3454 T22:   0.3920                                     
REMARK   3      T33:   0.4877 T12:   0.0144                                     
REMARK   3      T13:   0.0146 T23:  -0.1007                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9174 L22:   5.2227                                     
REMARK   3      L33:   5.0903 L12:   0.5931                                     
REMARK   3      L13:   1.9836 L23:   2.5889                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1307 S12:   0.1540 S13:  -0.6035                       
REMARK   3      S21:  -0.6425 S22:   0.0702 S23:  -0.5844                       
REMARK   3      S31:   0.0994 S32:   0.5443 S33:   0.0612                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 115 THROUGH 121 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): -16.2477  52.2794 -57.3883              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2382 T22:   0.2971                                     
REMARK   3      T33:   0.2703 T12:   0.0215                                     
REMARK   3      T13:  -0.0061 T23:  -0.0388                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.5800 L22:   2.9398                                     
REMARK   3      L33:   1.9899 L12:   3.0982                                     
REMARK   3      L13:   1.7536 L23:  -0.7124                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0591 S12:  -0.6405 S13:   0.4114                       
REMARK   3      S21:   0.5597 S22:   0.0400 S23:   0.3356                       
REMARK   3      S31:  -0.0686 S32:  -0.2422 S33:  -0.0055                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 13 THROUGH 31 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.4295  40.1597 -32.9627              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4728 T22:   1.1769                                     
REMARK   3      T33:   1.0687 T12:  -0.0655                                     
REMARK   3      T13:   0.0743 T23:   0.3468                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.4236 L22:   1.2725                                     
REMARK   3      L33:   2.7845 L12:  -2.0632                                     
REMARK   3      L13:  -0.0054 L23:  -0.8409                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0985 S12:  -1.6098 S13:  -2.3824                       
REMARK   3      S21:   0.3012 S22:   0.6802 S23:   0.2600                       
REMARK   3      S31:   0.2971 S32:  -0.4141 S33:   0.1301                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 32 THROUGH 68 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   3.4720  35.5338 -35.3359              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2739 T22:   0.9251                                     
REMARK   3      T33:   1.3620 T12:  -0.0179                                     
REMARK   3      T13:  -0.0584 T23:   0.4845                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7423 L22:   0.9244                                     
REMARK   3      L33:   2.2705 L12:   0.5444                                     
REMARK   3      L13:   0.2930 L23:  -0.7672                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0854 S12:  -0.6253 S13:  -2.4861                       
REMARK   3      S21:   0.5879 S22:  -0.2583 S23:  -0.2122                       
REMARK   3      S31:  -0.1644 S32:  -0.0574 S33:   0.0441                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 69 THROUGH 87 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   0.2630  25.7847 -26.6507              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8947 T22:   1.2672                                     
REMARK   3      T33:   1.9400 T12:  -0.1707                                     
REMARK   3      T13:   0.0693 T23:   0.8860                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1460 L22:   1.1447                                     
REMARK   3      L33:   1.5607 L12:   0.0047                                     
REMARK   3      L13:  -0.5000 L23:   0.4369                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6200 S12:  -0.3747 S13:  -1.1495                       
REMARK   3      S21:   1.1839 S22:  -0.4378 S23:   0.5259                       
REMARK   3      S31:   0.6429 S32:   0.1983 S33:  -0.5038                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 88 THROUGH 121 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):   0.7691  43.0933 -35.6983              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3451 T22:   0.9179                                     
REMARK   3      T33:   0.9129 T12:   0.0500                                     
REMARK   3      T13:  -0.1429 T23:   0.2939                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.5708 L22:   1.8894                                     
REMARK   3      L33:   3.4965 L12:   0.4398                                     
REMARK   3      L13:  -0.6599 L23:  -0.3074                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1216 S12:  -1.4194 S13:  -1.8793                       
REMARK   3      S21:   0.4022 S22:   0.2708 S23:  -0.4397                       
REMARK   3      S31:  -0.1646 S32:  -0.3864 S33:   0.0960                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 33 THROUGH 75 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -20.4173  52.3002 -43.7899              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2852 T22:   0.4613                                     
REMARK   3      T33:   0.2141 T12:  -0.0627                                     
REMARK   3      T13:  -0.0139 T23:   0.0989                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.3627 L22:   2.9634                                     
REMARK   3      L33:   1.1455 L12:   0.2058                                     
REMARK   3      L13:  -1.4181 L23:   0.6961                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2891 S12:   0.1965 S13:  -0.1903                       
REMARK   3      S21:   0.2072 S22:  -0.3268 S23:   0.2073                       
REMARK   3      S31:   0.0322 S32:   0.0929 S33:   0.0674                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 33 THROUGH 75 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): -15.5274  56.9412 -42.4836              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3528 T22:   0.6181                                     
REMARK   3      T33:   0.2759 T12:  -0.1883                                     
REMARK   3      T13:   0.0094 T23:   0.0166                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3496 L22:   3.3629                                     
REMARK   3      L33:   4.1880 L12:  -0.8272                                     
REMARK   3      L13:  -2.9503 L23:   1.6773                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4255 S12:  -1.0329 S13:   0.1741                       
REMARK   3      S21:   0.2424 S22:   0.1103 S23:  -0.1129                       
REMARK   3      S31:  -0.1895 S32:   0.9497 S33:  -0.1965                       
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 5Z7G COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 30-JAN-18.                  
REMARK 100 THE DEPOSITION ID IS D_1300006615.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 05-MAR-17                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRF                               
REMARK 200  BEAMLINE                       : BL17U1                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97900                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : AGILENT ATLAS CCD                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-3000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-3000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 22896                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.300                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 30.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.5                               
REMARK 200  DATA REDUNDANCY                : 19.80                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 36.3300                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.30                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.34                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
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: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: 5Z7A                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 63.78                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.40                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 8000, 0.1 M HEPES, PH 7.5, VAPOR     
REMARK 280  DIFFUSION, SITTING DROP, TEMPERATURE 289K                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 63                             
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z                                                
REMARK 290       3555   -X+Y,-X,Z                                               
REMARK 290       4555   -X,-Y,Z+1/2                                             
REMARK 290       5555   Y,-X+Y,Z+1/2                                            
REMARK 290       6555   X-Y,X,Z+1/2                                             
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 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       32.17200            
REMARK 290   SMTRY1   5  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   5 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000       32.17200            
REMARK 290   SMTRY1   6  0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       32.17200            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
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: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 6460 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 16470 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -38.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, 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     MET A     1                                                      
REMARK 465     THR A     2                                                      
REMARK 465     SER A     3                                                      
REMARK 465     PHE A     4                                                      
REMARK 465     GLN A     5                                                      
REMARK 465     GLU A     6                                                      
REMARK 465     VAL A     7                                                      
REMARK 465     PRO A     8                                                      
REMARK 465     LEU A     9                                                      
REMARK 465     GLN A    10                                                      
REMARK 465     THR A    11                                                      
REMARK 465     MET B     1                                                      
REMARK 465     THR B     2                                                      
REMARK 465     SER B     3                                                      
REMARK 465     PHE B     4                                                      
REMARK 465     GLN B     5                                                      
REMARK 465     GLU B     6                                                      
REMARK 465     VAL B     7                                                      
REMARK 465     PRO B     8                                                      
REMARK 465     LEU B     9                                                      
REMARK 465     GLN B    10                                                      
REMARK 465     THR B    11                                                      
REMARK 465     SER B    12                                                      
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     ASN B  13    CG   OD1  ND2                                       
REMARK 470     ASP B  48    CG   OD1  OD2                                       
REMARK 470     SER B  79    OG                                                  
REMARK 470     ARG B 112    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU C  33    CG   CD   OE1  OE2                                  
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   NH2  ARG C    67     OE1  GLU C    70              2.10            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    HIS B  31      123.00    -34.58                                   
REMARK 500    PRO B  40       15.16    -68.02                                   
REMARK 500    ILE C  74      -57.56   -122.69                                   
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 201                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue GOL A 202                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue GOL B 201                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 5Z7A   RELATED DB: PDB                                   
DBREF  5Z7G A    1   121  UNP    Q86VP1   TAXB1_HUMAN      1    121             
DBREF  5Z7G B    1   121  UNP    Q86VP1   TAXB1_HUMAN      1    121             
DBREF  5Z7G C   33    75  UNP    Q9H6S1   AZI2_HUMAN      33     75             
DBREF  5Z7G D   33    75  UNP    Q9H6S1   AZI2_HUMAN      33     75             
SEQRES   1 A  121  MET THR SER PHE GLN GLU VAL PRO LEU GLN THR SER ASN          
SEQRES   2 A  121  PHE ALA HIS VAL ILE PHE GLN ASN VAL ALA LYS SER TYR          
SEQRES   3 A  121  LEU PRO ASN ALA HIS LEU GLU CYS HIS TYR THR LEU THR          
SEQRES   4 A  121  PRO TYR ILE HIS PRO HIS PRO LYS ASP TRP VAL GLY ILE          
SEQRES   5 A  121  PHE LYS VAL GLY TRP SER THR ALA ARG ASP TYR TYR THR          
SEQRES   6 A  121  PHE LEU TRP SER PRO MET PRO GLU HIS TYR VAL GLU GLY          
SEQRES   7 A  121  SER THR VAL ASN CYS VAL LEU ALA PHE GLN GLY TYR TYR          
SEQRES   8 A  121  LEU PRO ASN ASP ASP GLY GLU PHE TYR GLN PHE CYS TYR          
SEQRES   9 A  121  VAL THR HIS LYS GLY GLU ILE ARG GLY ALA SER THR PRO          
SEQRES  10 A  121  PHE GLN PHE ARG                                              
SEQRES   1 B  121  MET THR SER PHE GLN GLU VAL PRO LEU GLN THR SER ASN          
SEQRES   2 B  121  PHE ALA HIS VAL ILE PHE GLN ASN VAL ALA LYS SER TYR          
SEQRES   3 B  121  LEU PRO ASN ALA HIS LEU GLU CYS HIS TYR THR LEU THR          
SEQRES   4 B  121  PRO TYR ILE HIS PRO HIS PRO LYS ASP TRP VAL GLY ILE          
SEQRES   5 B  121  PHE LYS VAL GLY TRP SER THR ALA ARG ASP TYR TYR THR          
SEQRES   6 B  121  PHE LEU TRP SER PRO MET PRO GLU HIS TYR VAL GLU GLY          
SEQRES   7 B  121  SER THR VAL ASN CYS VAL LEU ALA PHE GLN GLY TYR TYR          
SEQRES   8 B  121  LEU PRO ASN ASP ASP GLY GLU PHE TYR GLN PHE CYS TYR          
SEQRES   9 B  121  VAL THR HIS LYS GLY GLU ILE ARG GLY ALA SER THR PRO          
SEQRES  10 B  121  PHE GLN PHE ARG                                              
SEQRES   1 C   43  GLU SER VAL ALA SER HIS PHE ALA LEU VAL THR ALA TYR          
SEQRES   2 C   43  GLU ASP ILE LYS LYS ARG LEU LYS ASP SER GLU LYS GLU          
SEQRES   3 C   43  ASN SER LEU LEU LYS LYS ARG ILE ARG PHE LEU GLU GLU          
SEQRES   4 C   43  LYS LEU ILE ALA                                              
SEQRES   1 D   43  GLU SER VAL ALA SER HIS PHE ALA LEU VAL THR ALA TYR          
SEQRES   2 D   43  GLU ASP ILE LYS LYS ARG LEU LYS ASP SER GLU LYS GLU          
SEQRES   3 D   43  ASN SER LEU LEU LYS LYS ARG ILE ARG PHE LEU GLU GLU          
SEQRES   4 D   43  LYS LEU ILE ALA                                              
HET    GOL  A 201       6                                                       
HET    GOL  A 202       6                                                       
HET    GOL  B 201       6                                                       
HETNAM     GOL GLYCEROL                                                         
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   5  GOL    3(C3 H8 O3)                                                  
FORMUL   8  HOH   *106(H2 O)                                                    
HELIX    1 AA1 SER A   12  ALA A   15  5                                   4    
HELIX    2 AA2 GLN A   88  LEU A   92  5                                   5    
HELIX    3 AA3 THR B   59  ARG B   61  5                                   3    
HELIX    4 AA4 SER C   34  LYS C   72  1                                  39    
HELIX    5 AA5 SER D   34  ALA D   75  1                                  42    
SHEET    1 AA1 3 VAL A  17  GLN A  20  0                                        
SHEET    2 AA1 3 LEU A  32  LEU A  38 -1  O  THR A  37   N  ILE A  18           
SHEET    3 AA1 3 VAL A  81  PHE A  87 -1  O  LEU A  85   N  CYS A  34           
SHEET    1 AA2 5 SER A  25  TYR A  26  0                                        
SHEET    2 AA2 5 PHE A 118  PHE A 120  1  O  GLN A 119   N  TYR A  26           
SHEET    3 AA2 5 PHE A  99  VAL A 105 -1  N  TYR A 100   O  PHE A 118           
SHEET    4 AA2 5 TRP A  49  LYS A  54 -1  N  TRP A  49   O  VAL A 105           
SHEET    5 AA2 5 TYR A  63  TRP A  68 -1  O  TYR A  64   N  ILE A  52           
SHEET    1 AA3 4 SER A  25  TYR A  26  0                                        
SHEET    2 AA3 4 PHE A 118  PHE A 120  1  O  GLN A 119   N  TYR A  26           
SHEET    3 AA3 4 PHE A  99  VAL A 105 -1  N  TYR A 100   O  PHE A 118           
SHEET    4 AA3 4 ILE A 111  ALA A 114 -1  O  GLY A 113   N  TYR A 104           
SHEET    1 AA4 3 VAL B  17  PHE B  19  0                                        
SHEET    2 AA4 3 LEU B  32  LEU B  38 -1  O  THR B  37   N  ILE B  18           
SHEET    3 AA4 3 VAL B  81  PHE B  87 -1  O  CYS B  83   N  TYR B  36           
SHEET    1 AA5 2 SER B  25  TYR B  26  0                                        
SHEET    2 AA5 2 GLN B 119  PHE B 120  1  O  GLN B 119   N  TYR B  26           
SHEET    1 AA6 4 TYR B  63  TRP B  68  0                                        
SHEET    2 AA6 4 TRP B  49  LYS B  54 -1  N  ILE B  52   O  TYR B  64           
SHEET    3 AA6 4 TYR B 100  VAL B 105 -1  O  VAL B 105   N  TRP B  49           
SHEET    4 AA6 4 ILE B 111  ALA B 114 -1  O  ARG B 112   N  TYR B 104           
SITE     1 AC1  6 PRO A  70  VAL A  81  ASN A  82  CYS A  83                    
SITE     2 AC1  6 VAL A  84  HOH A 332                                          
SITE     1 AC2  3 HIS A  43  TYR A  75  GLU A  77                               
SITE     1 AC3  3 LYS B  54  ASP B  62  TYR B  64                               
CRYST1  118.487  118.487   64.344  90.00  90.00 120.00 P 63         12          
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      0.008440  0.004873  0.000000        0.00000                         
SCALE2      0.000000  0.009745  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.015541        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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