GenomeNet

Database: PDB
Entry: 4NUX
LinkDB: 4NUX
Original site: 4NUX 
HEADER    IMMUNE SYSTEM                           04-DEC-13   4NUX              
TITLE     STRUCTURE OF RECEPTOR A                                               
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: INTERLEUKIN-17 RECEPTOR A;                                 
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: SEFIR DOMAIN (UNP RESIDUES 376-591);                       
COMPND   5 SYNONYM: IL-17 RECEPTOR A, IL-17RA, CDW217;                          
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: IL17RA, IL17R;                                                 
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    SEFIR DOMAIN, IMMUNE SYSTEM, CYTOKINE, RECEPTOR, AUTOIMMUNE           
KEYWDS   2 INFLAMMATORY                                                         
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    B.ZHANG,Y.HAN,J.DENG                                                  
REVDAT   2   24-SEP-14 4NUX    1       JRNL                                     
REVDAT   1   14-MAY-14 4NUX    0                                                
JRNL        AUTH   B.ZHANG,C.LIU,W.QIAN,Y.HAN,X.LI,J.DENG                       
JRNL        TITL   STRUCTURE OF THE UNIQUE SEFIR DOMAIN FROM HUMAN INTERLEUKIN  
JRNL        TITL 2 17 RECEPTOR A REVEALS A COMPOSITE LIGAND-BINDING SITE        
JRNL        TITL 3 CONTAINING A CONSERVED ALPHA-HELIX FOR ACT1 BINDING AND      
JRNL        TITL 4 IL-17 SIGNALING.                                             
JRNL        REF    ACTA CRYSTALLOGR.,SECT.D      V.  70  1476 2014              
JRNL        REFN                   ISSN 0907-4449                               
JRNL        PMID   24816115                                                     
JRNL        DOI    10.1107/S1399004714005227                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.29 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.6_289)                      
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-                     
REMARK   3               : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO,              
REMARK   3               : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL            
REMARK   3               : MORIARTY,REETAL PAI,RANDY READ,JANE                  
REMARK   3               : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM             
REMARK   3               : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH,             
REMARK   3               : LAURENT STORONI,TOM TERWILLIGER,PETER                
REMARK   3               : ZWART                                                
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.29                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 33.26                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.260                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 91.2                           
REMARK   3   NUMBER OF REFLECTIONS             : 12124                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.195                           
REMARK   3   R VALUE            (WORKING SET) : 0.189                           
REMARK   3   FREE R VALUE                     : 0.242                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.060                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 1220                            
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 33.2680 -  4.7688    0.99     1402   158  0.1781 0.2152        
REMARK   3     2  4.7688 -  3.7868    0.98     1320   149  0.1476 0.1824        
REMARK   3     3  3.7868 -  3.3086    0.98     1293   146  0.1745 0.2226        
REMARK   3     4  3.3086 -  3.0064    0.96     1285   134  0.1924 0.2663        
REMARK   3     5  3.0064 -  2.7910    0.94     1236   141  0.2201 0.2895        
REMARK   3     6  2.7910 -  2.6265    0.90     1189   126  0.2161 0.2943        
REMARK   3     7  2.6265 -  2.4950    0.89     1168   134  0.2101 0.2833        
REMARK   3     8  2.4950 -  2.3864    0.84     1083   130  0.2223 0.3048        
REMARK   3     9  2.3864 -  2.2946    0.71      928   102  0.2404 0.3113        
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              : 0.35                                          
REMARK   3   B_SOL              : 39.58                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.300            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 25.780           
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) : 9.40700                                              
REMARK   3    B22 (A**2) : -3.30920                                             
REMARK   3    B33 (A**2) : -6.09790                                             
REMARK   3    B12 (A**2) : -0.00000                                             
REMARK   3    B13 (A**2) : -0.00000                                             
REMARK   3    B23 (A**2) : 0.00000                                              
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           1612                                  
REMARK   3   ANGLE     :  1.066           2183                                  
REMARK   3   CHIRALITY :  0.073            233                                  
REMARK   3   PLANARITY :  0.004            283                                  
REMARK   3   DIHEDRAL  : 16.285            586                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 20                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: (chain A and resid 376:381)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  38.2656  54.3339  27.6504              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4058 T22:   0.2352                                     
REMARK   3      T33:   0.2659 T12:   0.1371                                     
REMARK   3      T13:  -0.1719 T23:   0.0137                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2169 L22:   4.0827                                     
REMARK   3      L33:   0.5637 L12:  -0.2651                                     
REMARK   3      L13:   0.6756 L23:  -1.2924                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5499 S12:   0.2440 S13:   0.1826                       
REMARK   3      S21:  -0.2648 S22:   0.4409 S23:  -0.1042                       
REMARK   3      S31:  -0.1389 S32:  -0.4146 S33:   0.0810                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: (chain A and resid 382:396)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  49.8295  44.7101  39.1276              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2025 T22:   0.2380                                     
REMARK   3      T33:   0.1097 T12:   0.0286                                     
REMARK   3      T13:   0.0153 T23:   0.0156                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0154 L22:   1.1714                                     
REMARK   3      L33:   0.0021 L12:   0.5861                                     
REMARK   3      L13:   0.0416 L23:   0.1385                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1936 S12:  -0.3139 S13:   0.0909                       
REMARK   3      S21:   0.0253 S22:  -0.3115 S23:  -0.1535                       
REMARK   3      S31:   0.2864 S32:   0.1623 S33:   0.0238                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: (chain A and resid 397:414)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  41.9579  54.1829  36.5390              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1390 T22:   0.1005                                     
REMARK   3      T33:   0.1087 T12:   0.0688                                     
REMARK   3      T13:   0.0078 T23:  -0.0404                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4406 L22:   1.5949                                     
REMARK   3      L33:   2.0264 L12:   0.5079                                     
REMARK   3      L13:   0.3513 L23:   1.6809                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2001 S12:  -0.1984 S13:   0.2894                       
REMARK   3      S21:   0.4806 S22:  -0.2503 S23:   0.3958                       
REMARK   3      S31:   0.2135 S32:  -0.2771 S33:  -0.0091                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: (chain A and resid 415:425)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  34.8016  37.7007  34.7849              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3052 T22:   0.5798                                     
REMARK   3      T33:   0.4080 T12:  -0.0561                                     
REMARK   3      T13:  -0.0429 T23:   0.0330                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4788 L22:   2.1001                                     
REMARK   3      L33:   4.2862 L12:  -1.1506                                     
REMARK   3      L13:  -2.2369 L23:  -0.5945                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3766 S12:  -0.8684 S13:   0.1199                       
REMARK   3      S21:   0.3742 S22:  -0.0732 S23:   0.2263                       
REMARK   3      S31:   0.0523 S32:  -1.3368 S33:   0.3929                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: (chain A and resid 426:434)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  37.3202  40.5098  25.1182              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1998 T22:   0.4711                                     
REMARK   3      T33:   0.2982 T12:   0.0387                                     
REMARK   3      T13:  -0.1376 T23:  -0.0338                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.4377 L22:   6.2409                                     
REMARK   3      L33:   2.0730 L12:   0.0284                                     
REMARK   3      L13:  -1.4783 L23:  -3.1559                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3574 S12:   1.0535 S13:  -0.8172                       
REMARK   3      S21:  -0.0938 S22:   0.6699 S23:   0.2491                       
REMARK   3      S31:   0.4438 S32:  -0.7925 S33:  -0.5711                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: (chain A and resid 435:445)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  40.3637  50.7336  22.6003              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4822 T22:   0.2384                                     
REMARK   3      T33:   0.2187 T12:   0.0839                                     
REMARK   3      T13:  -0.0342 T23:   0.0565                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1752 L22:   2.1085                                     
REMARK   3      L33:   1.1895 L12:   0.9672                                     
REMARK   3      L13:   0.2352 L23:   1.2024                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5945 S12:   0.0503 S13:   0.1377                       
REMARK   3      S21:  -0.5728 S22:   0.4421 S23:   0.1992                       
REMARK   3      S31:  -0.7821 S32:  -0.3089 S33:   0.1977                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: (chain A and resid 446:460)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  57.2081  38.2146  28.6682              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1586 T22:   0.1458                                     
REMARK   3      T33:   0.2064 T12:   0.0057                                     
REMARK   3      T13:   0.0661 T23:  -0.0045                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.6211 L22:   0.4766                                     
REMARK   3      L33:   1.9046 L12:   0.4964                                     
REMARK   3      L13:  -0.0860 L23:  -0.6140                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0623 S12:  -0.3524 S13:  -0.4594                       
REMARK   3      S21:  -0.0362 S22:   0.1202 S23:  -0.4857                       
REMARK   3      S31:   0.3280 S32:   0.0559 S33:  -0.0542                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: (chain A and resid 461:467)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  56.4978  30.1506  31.9596              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1876 T22:   0.1502                                     
REMARK   3      T33:   0.2336 T12:   0.1247                                     
REMARK   3      T13:   0.0199 T23:  -0.0671                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.4235 L22:   0.5908                                     
REMARK   3      L33:   7.3039 L12:  -1.2888                                     
REMARK   3      L13:   1.7251 L23:   0.2655                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2496 S12:  -0.5921 S13:  -1.4537                       
REMARK   3      S21:   0.0821 S22:  -0.2700 S23:   0.2325                       
REMARK   3      S31:   0.6211 S32:  -0.1223 S33:   0.3338                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: (chain A and resid 468:478)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  48.3645  34.8782  37.6886              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2444 T22:   0.2082                                     
REMARK   3      T33:   0.2198 T12:   0.0151                                     
REMARK   3      T13:  -0.0483 T23:   0.0522                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3515 L22:   6.8858                                     
REMARK   3      L33:   2.8889 L12:  -1.4038                                     
REMARK   3      L13:   0.2882 L23:  -2.7616                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4790 S12:   0.4205 S13:  -0.1843                       
REMARK   3      S21:   0.3344 S22:  -0.0141 S23:   0.1427                       
REMARK   3      S31:   0.1576 S32:   0.0252 S33:  -0.3475                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: (chain A and resid 479:493)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  48.2834  40.9343  19.1642              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2514 T22:   0.2579                                     
REMARK   3      T33:   0.1238 T12:   0.0822                                     
REMARK   3      T13:  -0.0341 T23:  -0.0347                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5226 L22:   1.4081                                     
REMARK   3      L33:   2.3197 L12:  -0.0328                                     
REMARK   3      L13:  -1.2415 L23:   1.4291                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2767 S12:   0.4600 S13:  -0.3148                       
REMARK   3      S21:   0.0054 S22:  -0.1493 S23:  -0.2961                       
REMARK   3      S31:  -0.5377 S32:  -0.3142 S33:  -0.0344                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: (chain A and resid 494:507)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  52.9383  51.0465  26.4911              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1842 T22:   0.1250                                     
REMARK   3      T33:   0.1854 T12:   0.0468                                     
REMARK   3      T13:  -0.0130 T23:  -0.0240                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4453 L22:   1.8928                                     
REMARK   3      L33:   2.3718 L12:   1.6969                                     
REMARK   3      L13:   1.3946 L23:   1.3451                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2194 S12:   0.2120 S13:   0.1728                       
REMARK   3      S21:  -0.3934 S22:   0.1255 S23:  -0.1765                       
REMARK   3      S31:  -0.4357 S32:   0.3074 S33:   0.1189                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: (chain A and resid 508:517)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  59.2946  45.1478  26.2744              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1788 T22:   0.2068                                     
REMARK   3      T33:   0.2666 T12:   0.0909                                     
REMARK   3      T13:  -0.0053 T23:  -0.0490                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5096 L22:   3.7017                                     
REMARK   3      L33:   1.4083 L12:  -0.4224                                     
REMARK   3      L13:  -1.2383 L23:   0.0341                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2304 S12:   0.0635 S13:  -0.0412                       
REMARK   3      S21:  -0.3375 S22:  -0.6506 S23:   0.1187                       
REMARK   3      S31:  -0.0262 S32:   0.5425 S33:   0.3379                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: (chain A and resid 518:529)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  56.5141  55.9925  27.7180              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3362 T22:   0.2993                                     
REMARK   3      T33:   0.2100 T12:   0.0220                                     
REMARK   3      T13:   0.1209 T23:   0.1415                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6142 L22:   1.3769                                     
REMARK   3      L33:   5.9372 L12:  -0.8796                                     
REMARK   3      L13:   1.6175 L23:   0.2414                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4698 S12:   0.3575 S13:   0.2568                       
REMARK   3      S21:  -0.0124 S22:  -0.4768 S23:  -0.3123                       
REMARK   3      S31:  -0.1733 S32:   0.7644 S33:   0.5268                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: (chain A and resid 530:534)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  50.2476  62.8143  27.3409              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8505 T22:   0.1528                                     
REMARK   3      T33:   0.2953 T12:   0.0489                                     
REMARK   3      T13:   0.0247 T23:   0.0633                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.0389 L22:   5.2992                                     
REMARK   3      L33:   8.3099 L12:   1.8691                                     
REMARK   3      L13:   2.7180 L23:   3.8848                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0604 S12:  -0.0757 S13:   0.7664                       
REMARK   3      S21:  -0.9305 S22:  -1.0394 S23:  -0.3633                       
REMARK   3      S31:  -2.1923 S32:  -0.1212 S33:   0.7330                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: (chain A and resid 535:539)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  44.8814  61.1834  23.4223              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3675 T22:   0.2071                                     
REMARK   3      T33:   0.2565 T12:   0.0468                                     
REMARK   3      T13:   0.1066 T23:   0.0686                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.6659 L22:   0.6443                                     
REMARK   3      L33:   9.8303 L12:   0.1979                                     
REMARK   3      L13:  -3.2961 L23:  -0.6056                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5098 S12:   0.3917 S13:  -0.2321                       
REMARK   3      S21:  -0.7089 S22:  -0.1033 S23:  -0.5082                       
REMARK   3      S31:   0.4630 S32:  -0.5267 S33:   0.5863                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: (chain A and resid 540:560)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  52.5260  65.6303  36.9091              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3704 T22:  -0.0247                                     
REMARK   3      T33:   0.3359 T12:  -0.0360                                     
REMARK   3      T13:   0.1148 T23:  -0.0648                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.8603 L22:   4.4087                                     
REMARK   3      L33:   2.1874 L12:   0.2291                                     
REMARK   3      L13:  -0.2054 L23:   1.5766                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4271 S12:  -0.6036 S13:   0.6123                       
REMARK   3      S21:   0.6854 S22:  -0.2363 S23:  -1.1140                       
REMARK   3      S31:   0.5589 S32:   0.3946 S33:  -0.4851                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: (chain A and resid 561:576)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  53.7165  55.1098  45.1963              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2768 T22:   0.2087                                     
REMARK   3      T33:   0.1070 T12:  -0.0621                                     
REMARK   3      T13:  -0.0652 T23:  -0.0426                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8244 L22:   1.8564                                     
REMARK   3      L33:   1.8252 L12:  -0.2391                                     
REMARK   3      L13:   1.3542 L23:  -1.2856                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1884 S12:  -0.4791 S13:   0.5524                       
REMARK   3      S21:   0.8965 S22:   0.0181 S23:  -0.4164                       
REMARK   3      S31:  -0.6268 S32:  -0.0391 S33:   0.3362                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: (chain A and resid 577:582)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  62.8093  42.9893  47.9093              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2742 T22:   0.3083                                     
REMARK   3      T33:   0.2528 T12:  -0.0961                                     
REMARK   3      T13:  -0.1464 T23:   0.0674                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   9.2244 L22:   5.1160                                     
REMARK   3      L33:   4.0150 L12:   6.6720                                     
REMARK   3      L13:  -6.0730 L23:  -4.3102                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.7888 S12:  -0.4729 S13:   0.2064                       
REMARK   3      S21:   1.2402 S22:  -0.2650 S23:   0.4634                       
REMARK   3      S31:   0.1863 S32:   0.0052 S33:  -0.3308                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: (chain A and resid 583:586)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  61.1949  37.0771  41.6224              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3401 T22:   0.2900                                     
REMARK   3      T33:   0.3169 T12:   0.0623                                     
REMARK   3      T13:   0.0785 T23:  -0.0370                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.5492 L22:   4.8976                                     
REMARK   3      L33:   4.1421 L12:  -4.4085                                     
REMARK   3      L13:  -3.0786 L23:   4.3806                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5745 S12:  -0.5337 S13:  -0.1536                       
REMARK   3      S21:  -0.8185 S22:   1.0662 S23:  -0.8728                       
REMARK   3      S31:  -0.1217 S32:   0.7197 S33:  -1.3322                       
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: (chain A and resid 587:591)                            
REMARK   3    ORIGIN FOR THE GROUP (A):  56.2648  29.6189  40.8538              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3985 T22:   0.2017                                     
REMARK   3      T33:   0.1948 T12:  -0.0274                                     
REMARK   3      T13:  -0.0456 T23:   0.0816                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2021 L22:   7.7099                                     
REMARK   3      L33:   4.3592 L12:  -2.2727                                     
REMARK   3      L13:  -1.1178 L23:   5.7027                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4734 S12:   0.3923 S13:   0.6435                       
REMARK   3      S21:   0.9636 S22:  -0.5551 S23:  -0.9653                       
REMARK   3      S31:   1.6836 S32:  -0.3599 S33:   0.3398                       
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 4NUX COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-DEC-13.                  
REMARK 100 THE RCSB ID CODE IS RCSB083686.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 14-AUG-12                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 2                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 19-ID                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97918                            
REMARK 200  MONOCHROMATOR                  : GRAPHITE                           
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-3000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-3000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 13104                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.300                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 2.300                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.7                               
REMARK 200  DATA REDUNDANCY                : NULL                               
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
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     (%) : 87.3                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.80                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.600                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD                          
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 57.64                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.90                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M MES, 5%PEG6000, PH 6.0,             
REMARK 280  EVAPORATION, TEMPERATURE 293K                                       
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -X,Y,-Z+1/2                                             
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290       5555   X+1/2,Y+1/2,Z                                           
REMARK 290       6555   -X+1/2,-Y+1/2,Z+1/2                                     
REMARK 290       7555   -X+1/2,Y+1/2,-Z+1/2                                     
REMARK 290       8555   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       27.71650            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       27.71650            
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        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       38.12800            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       68.06500            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000       38.12800            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       68.06500            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       27.71650            
REMARK 290   SMTRY1   7 -1.000000  0.000000  0.000000       38.12800            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       68.06500            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000       27.71650            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000       38.12800            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000       68.06500            
REMARK 290   SMTRY3   8  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: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (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     HIS A   471                                                      
REMARK 465     GLY A   472                                                      
REMARK 465     LYS A   473                                                      
REMARK 465     PRO A   474                                                      
REMARK 465     VAL A   475                                                      
REMARK 465     GLY A   476                                                      
REMARK 465     MET A   541                                                      
REMARK 465     PHE A   542                                                      
REMARK 465     GLN A   543                                                      
REMARK 465     PRO A   544                                                      
REMARK 465     GLY A   545                                                      
REMARK 465     ARG A   546                                                      
REMARK 465     MET A   547                                                      
REMARK 465     HIS A   548                                                      
REMARK 465     ARG A   549                                                      
REMARK 465     VAL A   550                                                      
REMARK 465     GLY A   551                                                      
REMARK 465     GLU A   552                                                      
REMARK 465     LEU A   553                                                      
REMARK 465     SER A   554                                                      
REMARK 465     GLY A   555                                                      
REMARK 480                                                                      
REMARK 480 ZERO OCCUPANCY ATOM                                                  
REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO                  
REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS                
REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME;              
REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):         
REMARK 480   M RES C SSEQI ATOMS                                                
REMARK 480     LYS A  376   CG   CD   CE   NZ                                   
REMARK 480     GLN A  418   CG                                                  
REMARK 480     ARG A  431   NE   CZ   NH1  NH2                                  
REMARK 480     ARG A  466   NE   CZ   NH1  NH2                                  
REMARK 480     LYS A  491   CE   NZ                                             
REMARK 480     ALA A  519   CB                                                  
REMARK 480     ASP A  527   OD1  OD2                                            
REMARK 480     ARG A  528   NE   CZ   NH1  NH2                                  
REMARK 480     PHE A  534   CD2  CE2  CZ                                        
REMARK 480     ARG A  560   CG   CD   NE   CZ   NH1  NH2                        
REMARK 480     ARG A  565   CD   NE   CZ   NH1  NH2                             
REMARK 480     ARG A  580   CG   CD   NE   CZ   NH1  NH2                        
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 A 388      149.25    179.31                                   
REMARK 500    ASP A 538       71.22     59.24                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  4NUX A  376   591  UNP    Q96F46   I17RA_HUMAN    376    591             
SEQRES   1 A  216  LYS PRO ARG LYS VAL TRP ILE ILE TYR SER ALA ASP HIS          
SEQRES   2 A  216  PRO LEU TYR VAL ASP VAL VAL LEU LYS PHE ALA GLN PHE          
SEQRES   3 A  216  LEU LEU THR ALA CYS GLY THR GLU VAL ALA LEU ASP LEU          
SEQRES   4 A  216  LEU GLU GLU GLN ALA ILE SER GLU ALA GLY VAL MET THR          
SEQRES   5 A  216  TRP VAL GLY ARG GLN LYS GLN GLU MET VAL GLU SER ASN          
SEQRES   6 A  216  SER LYS ILE ILE VAL LEU CYS SER ARG GLY THR ARG ALA          
SEQRES   7 A  216  LYS TRP GLN ALA LEU LEU GLY ARG GLY ALA PRO VAL ARG          
SEQRES   8 A  216  LEU ARG CYS ASP HIS GLY LYS PRO VAL GLY ASP LEU PHE          
SEQRES   9 A  216  THR ALA ALA MET ASN MET ILE LEU PRO ASP PHE LYS ARG          
SEQRES  10 A  216  PRO ALA CYS PHE GLY THR TYR VAL VAL CYS TYR PHE SER          
SEQRES  11 A  216  GLU VAL SER CYS ASP GLY ASP VAL PRO ASP LEU PHE GLY          
SEQRES  12 A  216  ALA ALA PRO ARG TYR PRO LEU MET ASP ARG PHE GLU GLU          
SEQRES  13 A  216  VAL TYR PHE ARG ILE GLN ASP LEU GLU MET PHE GLN PRO          
SEQRES  14 A  216  GLY ARG MET HIS ARG VAL GLY GLU LEU SER GLY ASP ASN          
SEQRES  15 A  216  TYR LEU ARG SER PRO GLY GLY ARG GLN LEU ARG ALA ALA          
SEQRES  16 A  216  LEU ASP ARG PHE ARG ASP TRP GLN VAL ARG CYS PRO ASP          
SEQRES  17 A  216  TRP PHE GLU CYS GLU ASN LEU TYR                              
FORMUL   2  HOH   *54(H2 O)                                                     
HELIX    1   1 HIS A  388  GLY A  407  1                                  20    
HELIX    2   2 LEU A  412  LEU A  415  5                                   4    
HELIX    3   3 GLU A  416  ALA A  423  1                                   8    
HELIX    4   4 GLY A  424  SER A  439  1                                  16    
HELIX    5   5 SER A  448  LEU A  459  1                                  12    
HELIX    6   6 LEU A  478  LEU A  487  1                                  10    
HELIX    7   7 PRO A  488  GLY A  497  5                                  10    
HELIX    8   8 CYS A  509  VAL A  513  5                                   5    
HELIX    9   9 ARG A  528  ASP A  538  1                                  11    
HELIX   10  10 ASP A  556  SER A  561  5                                   6    
HELIX   11  11 GLY A  563  CYS A  581  1                                  19    
HELIX   12  12 ASP A  583  ASN A  589  1                                   7    
SHEET    1   A 5 GLU A 409  ALA A 411  0                                        
SHEET    2   A 5 LYS A 379  ILE A 383  1  N  VAL A 380   O  ALA A 411           
SHEET    3   A 5 LYS A 442  LEU A 446  1  O  LEU A 446   N  ILE A 383           
SHEET    4   A 5 TYR A 499  PHE A 504  1  O  VAL A 500   N  ILE A 443           
SHEET    5   A 5 ARG A 522  LEU A 525  1  O  TYR A 523   N  VAL A 501           
CISPEP   1 LEU A  525    MET A  526          0         5.34                     
CRYST1   76.256  136.130   55.433  90.00  90.00  90.00 C 2 2 21      8          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.013114  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.007346  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.018040        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system