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Database: PDB
Entry: 5Z7L
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HEADER    SIGNALING PROTEIN                       29-JAN-18   5Z7L              
TITLE     CRYSTAL STRUCTURE OF NDP52 SKICH REGION IN COMPLEX WITH NAP1          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CALCIUM-BINDING AND COILED-COIL DOMAIN-CONTAINING PROTEIN  
COMPND   3 2;                                                                   
COMPND   4 CHAIN: A, B;                                                         
COMPND   5 FRAGMENT: UNP RESIDUES 10-126;                                       
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: 5-AZACYTIDINE-INDUCED PROTEIN 2;                           
COMPND   9 CHAIN: C, D;                                                         
COMPND  10 FRAGMENT: UNP RESIDUES 33-75;                                        
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: CALCOCO2;                                                      
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI-PICHIA PASTORIS SHUTTLE VECTOR   
SOURCE   7 PPPARG4;                                                             
SOURCE   8 EXPRESSION_SYSTEM_TAXID: 1182032;                                    
SOURCE   9 MOL_ID: 2;                                                           
SOURCE  10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  11 ORGANISM_COMMON: HUMAN;                                              
SOURCE  12 ORGANISM_TAXID: 9606;                                                
SOURCE  13 GENE: AZI2;                                                          
SOURCE  14 EXPRESSION_SYSTEM: ESCHERICHIA COLI-PICHIA PASTORIS SHUTTLE VECTOR   
SOURCE  15 PPPARG4;                                                             
SOURCE  16 EXPRESSION_SYSTEM_TAXID: 1182032                                     
KEYWDS    NDP52, NAP1, SKICH, AUTOPHAGY, SIGNALING PROTEIN                      
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    T.FU,L.F.PAN                                                          
REVDAT   1   02-JAN-19 5Z7L    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.    2.02 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) : 2.02                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 40.65                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.340                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.8                           
REMARK   3   NUMBER OF REFLECTIONS             : 23688                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.173                           
REMARK   3   R VALUE            (WORKING SET) : 0.170                           
REMARK   3   FREE R VALUE                     : 0.222                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.850                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1150                            
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 40.6530 -  4.0389    0.96     2861   126  0.1594 0.1974        
REMARK   3     2  4.0389 -  3.2062    0.97     2807   143  0.1417 0.1868        
REMARK   3     3  3.2062 -  2.8011    0.98     2835   135  0.1524 0.2129        
REMARK   3     4  2.8011 -  2.5450    0.99     2820   148  0.1731 0.2365        
REMARK   3     5  2.5450 -  2.3626    0.99     2837   130  0.1851 0.2324        
REMARK   3     6  2.3626 -  2.2233    0.99     2809   160  0.1979 0.2461        
REMARK   3     7  2.2233 -  2.1120    0.98     2773   157  0.2247 0.2767        
REMARK   3     8  2.1120 -  2.0200    0.98     2796   151  0.2639 0.3304        
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)     : 0.240            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 22.810           
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      :  0.007           2680                                  
REMARK   3   ANGLE     :  0.852           3613                                  
REMARK   3   CHIRALITY :  0.054            371                                  
REMARK   3   PLANARITY :  0.005            456                                  
REMARK   3   DIHEDRAL  :  8.664           1669                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 12                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 18 THROUGH 44 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): 206.7373 -23.8440  92.6725              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1635 T22:   0.2366                                     
REMARK   3      T33:   0.2839 T12:   0.0308                                     
REMARK   3      T13:  -0.0032 T23:  -0.0166                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.9641 L22:   6.2351                                     
REMARK   3      L33:   3.8371 L12:  -0.0457                                     
REMARK   3      L13:  -1.3901 L23:  -1.3510                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1760 S12:  -0.0853 S13:  -0.3061                       
REMARK   3      S21:  -0.1850 S22:  -0.1253 S23:   0.1456                       
REMARK   3      S31:   0.2328 S32:  -0.1712 S33:   0.2590                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 45 THROUGH 65 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): 205.0814 -24.5123  82.2136              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1597 T22:   0.3041                                     
REMARK   3      T33:   0.2600 T12:  -0.0262                                     
REMARK   3      T13:  -0.0211 T23:  -0.0785                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.8316 L22:   6.3243                                     
REMARK   3      L33:   5.5258 L12:  -0.6841                                     
REMARK   3      L13:  -0.2509 L23:   0.4464                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0082 S12:   0.4946 S13:  -0.5066                       
REMARK   3      S21:  -0.2764 S22:   0.0756 S23:  -0.3487                       
REMARK   3      S31:   0.4092 S32:  -0.1791 S33:  -0.0322                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 66 THROUGH 83 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): 212.0026 -25.2375  83.0449              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2118 T22:   0.2112                                     
REMARK   3      T33:   0.2565 T12:  -0.0277                                     
REMARK   3      T13:  -0.0285 T23:  -0.0618                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.8549 L22:   4.7254                                     
REMARK   3      L33:   5.1131 L12:  -1.1119                                     
REMARK   3      L13:  -0.5822 L23:   0.2280                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3218 S12:   0.1428 S13:  -0.4352                       
REMARK   3      S21:  -0.4582 S22:  -0.3847 S23:   0.2327                       
REMARK   3      S31:   0.4237 S32:  -0.1273 S33:  -0.1045                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 84 THROUGH 126 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): 208.1857 -19.7611  89.0930              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1499 T22:   0.1713                                     
REMARK   3      T33:   0.2639 T12:  -0.0021                                     
REMARK   3      T13:  -0.0024 T23:  -0.0522                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.6679 L22:   1.7924                                     
REMARK   3      L33:   3.0589 L12:  -0.2811                                     
REMARK   3      L13:  -0.6307 L23:  -0.7044                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0764 S12:  -0.0372 S13:  -0.0588                       
REMARK   3      S21:   0.0363 S22:  -0.1593 S23:   0.0177                       
REMARK   3      S31:   0.0966 S32:  -0.0043 S33:   0.0531                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 17 THROUGH 44 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): 176.7507  -4.0249  91.2166              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1440 T22:   0.1323                                     
REMARK   3      T33:   0.1263 T12:   0.0336                                     
REMARK   3      T13:  -0.0133 T23:  -0.0369                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6928 L22:   4.2691                                     
REMARK   3      L33:   5.0505 L12:   0.1220                                     
REMARK   3      L13:   0.4718 L23:  -1.8920                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0007 S12:  -0.1544 S13:   0.1455                       
REMARK   3      S21:   0.1997 S22:   0.0658 S23:  -0.0502                       
REMARK   3      S31:  -0.1375 S32:   0.1070 S33:  -0.0448                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 45 THROUGH 54 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): 171.9705  -1.1112  76.6839              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2090 T22:   0.1641                                     
REMARK   3      T33:   0.1598 T12:   0.0654                                     
REMARK   3      T13:  -0.0080 T23:   0.0535                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.9018 L22:   4.9406                                     
REMARK   3      L33:   5.9521 L12:   1.3336                                     
REMARK   3      L13:  -1.3796 L23:  -0.4910                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0427 S12:   0.1192 S13:   0.5250                       
REMARK   3      S21:  -0.3604 S22:   0.0921 S23:   0.6698                       
REMARK   3      S31:  -0.4960 S32:  -0.1486 S33:  -0.0746                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 55 THROUGH 65 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): 178.6081 -15.7695  86.5969              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1430 T22:   0.1302                                     
REMARK   3      T33:   0.2001 T12:  -0.0169                                     
REMARK   3      T13:   0.0229 T23:   0.0326                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2340 L22:   3.0642                                     
REMARK   3      L33:   8.3252 L12:  -1.4996                                     
REMARK   3      L13:   1.6810 L23:   1.7785                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0753 S12:  -0.0611 S13:  -0.3056                       
REMARK   3      S21:  -0.0772 S22:   0.2283 S23:   0.0202                       
REMARK   3      S31:   0.2455 S32:   0.3105 S33:  -0.1161                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 66 THROUGH 74 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): 171.6035 -16.4814  85.6524              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1610 T22:   0.1649                                     
REMARK   3      T33:   0.1511 T12:  -0.0218                                     
REMARK   3      T13:  -0.0471 T23:  -0.0055                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.5560 L22:   6.4492                                     
REMARK   3      L33:   4.6922 L12:  -2.1221                                     
REMARK   3      L13:   2.8387 L23:  -4.2170                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0412 S12:   0.2335 S13:  -0.2597                       
REMARK   3      S21:  -0.1312 S22:  -0.0681 S23:   0.2459                       
REMARK   3      S31:   0.2800 S32:  -0.0189 S33:   0.0896                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 75 THROUGH 87 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): 167.8010   5.4450  80.1511              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3085 T22:   0.2592                                     
REMARK   3      T33:   0.2504 T12:  -0.0283                                     
REMARK   3      T13:   0.0285 T23:   0.0120                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.2322 L22:   3.0591                                     
REMARK   3      L33:   5.4357 L12:  -2.8398                                     
REMARK   3      L13:   2.8890 L23:   1.7230                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3586 S12:   0.1965 S13:   0.6831                       
REMARK   3      S21:  -0.6878 S22:   0.1062 S23:  -0.3310                       
REMARK   3      S31:  -0.5888 S32:   0.3763 S33:   0.2237                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 88 THROUGH 126 )                  
REMARK   3    ORIGIN FOR THE GROUP (A): 174.8551 -10.8697  91.3113              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1323 T22:   0.1383                                     
REMARK   3      T33:   0.1253 T12:   0.0246                                     
REMARK   3      T13:   0.0150 T23:  -0.0175                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.9173 L22:   3.2463                                     
REMARK   3      L33:   3.0860 L12:  -0.4281                                     
REMARK   3      L13:   0.9241 L23:  -1.1349                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0751 S12:  -0.1650 S13:  -0.1977                       
REMARK   3      S21:   0.1715 S22:   0.0786 S23:   0.0335                       
REMARK   3      S31:   0.0571 S32:   0.0153 S33:   0.0271                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 33 THROUGH 75 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): 191.6983 -14.2994 107.3096              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2075 T22:   0.2118                                     
REMARK   3      T33:   0.2296 T12:   0.0030                                     
REMARK   3      T13:   0.0079 T23:  -0.0176                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2040 L22:   0.8114                                     
REMARK   3      L33:   3.1767 L12:   0.1017                                     
REMARK   3      L13:   0.4341 L23:   1.5363                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0690 S12:   0.1726 S13:  -0.1103                       
REMARK   3      S21:   0.1262 S22:  -0.1271 S23:   0.0123                       
REMARK   3      S31:   0.2791 S32:  -0.7791 S33:   0.1177                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 33 THROUGH 75 )                   
REMARK   3    ORIGIN FOR THE GROUP (A): 194.4992  -7.2547 105.8401              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2053 T22:   0.1858                                     
REMARK   3      T33:   0.2402 T12:   0.0183                                     
REMARK   3      T13:  -0.0136 T23:  -0.0232                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5320 L22:   0.6275                                     
REMARK   3      L33:   8.3603 L12:   0.7104                                     
REMARK   3      L13:   2.4338 L23:   1.5991                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0051 S12:   0.1733 S13:  -0.0372                       
REMARK   3      S21:  -0.0574 S22:   0.1892 S23:  -0.0353                       
REMARK   3      S31:  -0.3775 S32:   0.2951 S33:  -0.2125                       
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 5Z7L COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 31-JAN-18.                  
REMARK 100 THE DEPOSITION ID IS D_1300006624.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 06-JAN-17                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
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) : 0.97914                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : AGILENT EOS CCD                    
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-3000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-3000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 24065                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.020                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 72.050                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.5                               
REMARK 200  DATA REDUNDANCY                : 3.700                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 10.6000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.02                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.07                     
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: MOLECULAR REPLACEMENT        
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   (%): 49.09                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.42                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PEG3350,SODIUM MALONATE, VAPOR           
REMARK 280  DIFFUSION, SITTING DROP, TEMPERATURE 289K                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y,-Z                                                 
REMARK 290       3555   X+1/2,Y+1/2,Z                                           
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        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   3  1.000000  0.000000  0.000000       56.81950            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       22.51300            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000       56.81950            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       22.51300            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
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: 6280 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 16900 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -39.0 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     THR A    10                                                      
REMARK 465     SER A    11                                                      
REMARK 465     ALA A    12                                                      
REMARK 465     VAL A    13                                                      
REMARK 465     LEU A    14                                                      
REMARK 465     LEU A    15                                                      
REMARK 465     ASP A    16                                                      
REMARK 465     HIS A    17                                                      
REMARK 465     THR B    10                                                      
REMARK 465     SER B    11                                                      
REMARK 465     ALA B    12                                                      
REMARK 465     VAL B    13                                                      
REMARK 465     LEU B    14                                                      
REMARK 465     LEU B    15                                                      
REMARK 465     ASP B    16                                                      
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     ARG A  52    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A  84    CG   CD   CE   NZ                                   
REMARK 470     HIS B  17    CG   ND1  CD2  CE1  NE2                             
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   O    HOH B   318     O    HOH B   385              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    LEU C  73   CA  -  CB  -  CG  ANGL. DEV. =  14.7 DEGREES          
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    ASP A  80      117.70   -161.71                                   
REMARK 500    ALA A  86       32.90   -149.26                                   
REMARK 500    ASP A 101     -168.13   -105.36                                   
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 B 201                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue GOL B 202                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue GOL B 203                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 5Z7G   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 5Z7A   RELATED DB: PDB                                   
DBREF  5Z7L A   10   126  UNP    Q13137   CACO2_HUMAN     10    126             
DBREF  5Z7L B   10   126  UNP    Q13137   CACO2_HUMAN     10    126             
DBREF  5Z7L C   33    75  UNP    Q9H6S1   AZI2_HUMAN      33     75             
DBREF  5Z7L D   33    75  UNP    Q9H6S1   AZI2_HUMAN      33     75             
SEQRES   1 A  117  THR SER ALA VAL LEU LEU ASP HIS CYS HIS PHE SER GLN          
SEQRES   2 A  117  VAL ILE PHE ASN SER VAL GLU LYS PHE TYR ILE PRO GLY          
SEQRES   3 A  117  GLY ASP VAL THR CYS HIS TYR THR PHE THR GLN HIS PHE          
SEQRES   4 A  117  ILE PRO ARG ARG LYS ASP TRP ILE GLY ILE PHE ARG VAL          
SEQRES   5 A  117  GLY TRP LYS THR THR ARG GLU TYR TYR THR PHE MET TRP          
SEQRES   6 A  117  VAL THR LEU PRO ILE ASP LEU ASN ASN LYS SER ALA LYS          
SEQRES   7 A  117  GLN GLN GLU VAL GLN PHE LYS ALA TYR TYR LEU PRO LYS          
SEQRES   8 A  117  ASP ASP GLU TYR TYR GLN PHE CYS TYR VAL ASP GLU ASP          
SEQRES   9 A  117  GLY VAL VAL ARG GLY ALA SER ILE PRO PHE GLN PHE ARG          
SEQRES   1 B  117  THR SER ALA VAL LEU LEU ASP HIS CYS HIS PHE SER GLN          
SEQRES   2 B  117  VAL ILE PHE ASN SER VAL GLU LYS PHE TYR ILE PRO GLY          
SEQRES   3 B  117  GLY ASP VAL THR CYS HIS TYR THR PHE THR GLN HIS PHE          
SEQRES   4 B  117  ILE PRO ARG ARG LYS ASP TRP ILE GLY ILE PHE ARG VAL          
SEQRES   5 B  117  GLY TRP LYS THR THR ARG GLU TYR TYR THR PHE MET TRP          
SEQRES   6 B  117  VAL THR LEU PRO ILE ASP LEU ASN ASN LYS SER ALA LYS          
SEQRES   7 B  117  GLN GLN GLU VAL GLN PHE LYS ALA TYR TYR LEU PRO LYS          
SEQRES   8 B  117  ASP ASP GLU TYR TYR GLN PHE CYS TYR VAL ASP GLU ASP          
SEQRES   9 B  117  GLY VAL VAL ARG GLY ALA SER ILE PRO 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  B 201       6                                                       
HET    GOL  B 202       6                                                       
HET    GOL  B 203       6                                                       
HETNAM     GOL GLYCEROL                                                         
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   5  GOL    4(C3 H8 O3)                                                  
FORMUL   9  HOH   *272(H2 O)                                                    
HELIX    1 AA1 CYS A   18  SER A   21  5                                   4    
HELIX    2 AA2 THR A   65  TYR A   69  5                                   5    
HELIX    3 AA3 ASN A   83  LYS A   87  5                                   5    
HELIX    4 AA4 LYS A   94  LEU A   98  5                                   5    
HELIX    5 AA5 HIS B   17  SER B   21  5                                   5    
HELIX    6 AA6 THR B   65  TYR B   69  5                                   5    
HELIX    7 AA7 LYS B   94  LEU B   98  5                                   5    
HELIX    8 AA8 SER C   34  LEU C   73  1                                  40    
HELIX    9 AA9 VAL D   35  ILE D   74  1                                  40    
SHEET    1 AA1 3 VAL A  23  ASN A  26  0                                        
SHEET    2 AA1 3 VAL A  38  PHE A  44 -1  O  THR A  43   N  ILE A  24           
SHEET    3 AA1 3 GLN A  89  PHE A  93 -1  O  VAL A  91   N  CYS A  40           
SHEET    1 AA2 4 THR A  71  TRP A  74  0                                        
SHEET    2 AA2 4 TRP A  55  ARG A  60 -1  N  ILE A  56   O  MET A  73           
SHEET    3 AA2 4 TYR A 105  VAL A 110 -1  O  CYS A 108   N  GLY A  57           
SHEET    4 AA2 4 VAL A 116  ALA A 119 -1  O  ARG A 117   N  TYR A 109           
SHEET    1 AA3 3 VAL B  23  ASN B  26  0                                        
SHEET    2 AA3 3 VAL B  38  PHE B  44 -1  O  THR B  43   N  ILE B  24           
SHEET    3 AA3 3 GLN B  88  PHE B  93 -1  O  PHE B  93   N  VAL B  38           
SHEET    1 AA4 2 PHE B  31  TYR B  32  0                                        
SHEET    2 AA4 2 GLN B 124  PHE B 125  1  O  GLN B 124   N  TYR B  32           
SHEET    1 AA5 4 THR B  71  TRP B  74  0                                        
SHEET    2 AA5 4 TRP B  55  ARG B  60 -1  N  ILE B  56   O  MET B  73           
SHEET    3 AA5 4 TYR B 105  VAL B 110 -1  O  VAL B 110   N  TRP B  55           
SHEET    4 AA5 4 VAL B 116  ALA B 119 -1  O  ARG B 117   N  TYR B 109           
SITE     1 AC1  5 SER A  27  GLU A  29  THR A  39  HIS A  41                    
SITE     2 AC1  5 HOH A 304                                                     
SITE     1 AC2  3 ILE B  24  THR B  43  HOH B 323                               
SITE     1 AC3  2 GLU B 112  HOH B 327                                          
SITE     1 AC4  2 ASN A  83  TYR B  96                                          
CRYST1  113.639   45.026   86.679  90.00 123.77  90.00 C 1 2 1       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      0.008800  0.000000  0.005885        0.00000                         
SCALE2      0.000000  0.022209  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.013879        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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