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Database: PDB
Entry: 4TTB
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Original site: 4TTB 
HEADER    OXIDOREDUCTASE                          20-JUN-14   4TTB              
TITLE     CRYSTAL STRUCTURE OF HOMO SAPIENS IODOTYROSINE DEIODINASE (IYD) BOUND 
TITLE    2 TO FMN                                                               
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: IODOTYROSINE DEHALOGENASE 1;                               
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: UNP RESIDUES 32-289;                                       
COMPND   5 SYNONYM: IYD-1;                                                      
COMPND   6 EC: 1.22.1.1;                                                        
COMPND   7 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: IYD, C6ORF71, DEHAL1;                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: ROSETTA2DE3;                               
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET28-SUMO                                
KEYWDS    OXIDOREDUCTASE, FLAVOPROTEIN, MEMBRANE, TRANSMEMBRANE, DEHALOGENASE,  
KEYWDS   2 IODIDE SALVAGE, FMN, MONO-IODOTYROSINE, NADP                         
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    W.CHUENCHOR,J.HU,S.ROKITA                                             
REVDAT   4   25-DEC-19 4TTB    1       REMARK                                   
REVDAT   3   20-SEP-17 4TTB    1       SOURCE JRNL   REMARK                     
REVDAT   2   14-JAN-15 4TTB    1       JRNL                                     
REVDAT   1   26-NOV-14 4TTB    0                                                
JRNL        AUTH   J.HU,W.CHUENCHOR,S.E.ROKITA                                  
JRNL        TITL   A SWITCH BETWEEN ONE- AND TWO-ELECTRON CHEMISTRY OF THE      
JRNL        TITL 2 HUMAN FLAVOPROTEIN IODOTYROSINE DEIODINASE IS CONTROLLED BY  
JRNL        TITL 3 SUBSTRATE.                                                   
JRNL        REF    J.BIOL.CHEM.                  V. 290   590 2015              
JRNL        REFN                   ESSN 1083-351X                               
JRNL        PMID   25395621                                                     
JRNL        DOI    10.1074/JBC.M114.605964                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.45 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.9_1692)                     
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) : 2.45                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 38.09                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.960                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.3                           
REMARK   3   NUMBER OF REFLECTIONS             : 20800                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.193                           
REMARK   3   R VALUE            (WORKING SET) : 0.193                           
REMARK   3   FREE R VALUE                     : 0.203                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.120                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1066                            
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 38.0907 -  4.8903    0.99     2467   132  0.1696 0.1871        
REMARK   3     2  4.8903 -  3.8828    1.00     2484   138  0.1562 0.1532        
REMARK   3     3  3.8828 -  3.3924    1.00     2501   130  0.1909 0.2259        
REMARK   3     4  3.3924 -  3.0823    0.99     2451   136  0.2126 0.2118        
REMARK   3     5  3.0823 -  2.8615    1.00     2469   138  0.2445 0.2216        
REMARK   3     6  2.8615 -  2.6928    0.99     2447   129  0.2387 0.2546        
REMARK   3     7  2.6928 -  2.5580    0.99     2463   133  0.2690 0.2642        
REMARK   3     8  2.5580 -  2.4470    0.98     2452   130  0.2966 0.3051        
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)     : 0.220            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 26.860           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.008           3175                                  
REMARK   3   ANGLE     :  1.142           4325                                  
REMARK   3   CHIRALITY :  0.075            502                                  
REMARK   3   PLANARITY :  0.006            537                                  
REMARK   3   DIHEDRAL  : 12.778           1193                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 17                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 71:82)                           
REMARK   3    ORIGIN FOR THE GROUP (A): -19.8304  17.5990  18.2265              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.3994 T22:   1.0375                                     
REMARK   3      T33:   0.6280 T12:  -0.0250                                     
REMARK   3      T13:  -0.0205 T23:  -0.2464                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.2232 L22:   7.4268                                     
REMARK   3      L33:   3.4895 L12:  -2.5986                                     
REMARK   3      L13:   1.2268 L23:  -4.9324                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3348 S12:   0.3682 S13:   0.1838                       
REMARK   3      S21:   0.3691 S22:   0.3764 S23:  -0.2703                       
REMARK   3      S31:  -0.8612 S32:  -0.3451 S33:   0.1443                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 83:98)                           
REMARK   3    ORIGIN FOR THE GROUP (A): -20.8158  22.8573  -2.6046              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6936 T22:   0.4090                                     
REMARK   3      T33:   0.6269 T12:  -0.0640                                     
REMARK   3      T13:  -0.0520 T23:   0.0955                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.7669 L22:   5.6015                                     
REMARK   3      L33:   8.6352 L12:  -2.0678                                     
REMARK   3      L13:  -1.5467 L23:   2.9990                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3694 S12:   0.2813 S13:   1.0509                       
REMARK   3      S21:  -0.2743 S22:  -0.0196 S23:  -1.5489                       
REMARK   3      S31:  -1.7779 S32:  -0.5857 S33:  -0.1044                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 99:125)                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.5935   5.5431  -6.5271              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3695 T22:   0.5515                                     
REMARK   3      T33:   0.4958 T12:  -0.0682                                     
REMARK   3      T13:  -0.0124 T23:  -0.0271                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.3505 L22:   2.9872                                     
REMARK   3      L33:   3.4752 L12:  -1.6408                                     
REMARK   3      L13:  -0.2843 L23:   0.3946                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0142 S12:   0.7336 S13:  -0.1109                       
REMARK   3      S21:   0.1533 S22:  -0.0201 S23:  -0.3429                       
REMARK   3      S31:   0.5434 S32:   1.4067 S33:   0.1640                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 126:142)                         
REMARK   3    ORIGIN FOR THE GROUP (A): -13.0818  -2.9418   5.2438              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0925 T22:   0.3064                                     
REMARK   3      T33:   0.5305 T12:   0.0585                                     
REMARK   3      T13:   0.0243 T23:   0.0703                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.1628 L22:   3.7423                                     
REMARK   3      L33:   4.2855 L12:  -0.8069                                     
REMARK   3      L13:   1.3053 L23:  -0.2105                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0182 S12:  -0.6018 S13:  -0.4145                       
REMARK   3      S21:   0.3326 S22:   0.0174 S23:   0.2248                       
REMARK   3      S31:   2.0701 S32:   0.6281 S33:   0.1541                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 143:157)                         
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.7749 -13.0388 -14.2165              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   2.1115 T22:   0.8051                                     
REMARK   3      T33:   0.6015 T12:   0.6265                                     
REMARK   3      T13:   0.1476 T23:  -0.1849                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.0430 L22:   8.3571                                     
REMARK   3      L33:   3.5500 L12:  -5.0704                                     
REMARK   3      L13:   1.0964 L23:   1.0168                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3322 S12:   0.4295 S13:  -1.5659                       
REMARK   3      S21:  -0.2153 S22:   0.2800 S23:   1.1119                       
REMARK   3      S31:   1.2416 S32:   0.8396 S33:   1.9197                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 158:189)                         
REMARK   3    ORIGIN FOR THE GROUP (A): -11.4648  -8.1564 -19.5014              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.2324 T22:   0.8616                                     
REMARK   3      T33:   0.6377 T12:   0.1323                                     
REMARK   3      T13:   0.0329 T23:  -0.2071                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3468 L22:   3.2410                                     
REMARK   3      L33:   3.3379 L12:   0.4205                                     
REMARK   3      L13:  -0.6275 L23:  -0.1595                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0153 S12:   1.3355 S13:  -1.2109                       
REMARK   3      S21:  -0.4967 S22:   0.5764 S23:   0.3384                       
REMARK   3      S31:   1.6752 S32:   0.0953 S33:   0.1496                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 190:250)                         
REMARK   3    ORIGIN FOR THE GROUP (A): -15.5915  -3.6635  -3.0129              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0521 T22:   0.3133                                     
REMARK   3      T33:   0.5195 T12:  -0.0930                                     
REMARK   3      T13:   0.0634 T23:  -0.0546                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1674 L22:   2.5272                                     
REMARK   3      L33:   3.6055 L12:  -1.6692                                     
REMARK   3      L13:  -0.5086 L23:   0.2272                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3949 S12:   0.3206 S13:  -0.6681                       
REMARK   3      S21:   0.2465 S22:   0.1445 S23:   0.4437                       
REMARK   3      S31:   2.2313 S32:  -0.0979 S33:   0.1556                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 251:266)                         
REMARK   3    ORIGIN FOR THE GROUP (A): -12.9193  -8.9594  -1.5565              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.6681 T22:   0.3024                                     
REMARK   3      T33:   0.3363 T12:   0.1302                                     
REMARK   3      T13:  -0.0249 T23:  -0.1643                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.8570 L22:   2.7717                                     
REMARK   3      L33:   5.7737 L12:   0.4547                                     
REMARK   3      L13:  -1.7206 L23:  -2.1412                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3136 S12:  -0.6161 S13:  -1.8701                       
REMARK   3      S21:   0.9232 S22:   0.0240 S23:   0.1952                       
REMARK   3      S31:   2.1735 S32:   0.3300 S33:   0.0196                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESSEQ 267:290)                         
REMARK   3    ORIGIN FOR THE GROUP (A): -24.6764  11.7959 -13.8570              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4629 T22:   0.7554                                     
REMARK   3      T33:   0.4341 T12:  -0.0669                                     
REMARK   3      T13:  -0.0709 T23:   0.0377                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.7787 L22:   1.7105                                     
REMARK   3      L33:   6.9597 L12:  -2.1340                                     
REMARK   3      L13:  -1.4127 L23:   0.8025                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1673 S12:   1.7606 S13:   0.3447                       
REMARK   3      S21:  -0.0502 S22:  -0.3150 S23:   0.0335                       
REMARK   3      S31:  -0.1621 S32:  -1.2422 S33:   0.1309                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 71:82)                           
REMARK   3    ORIGIN FOR THE GROUP (A): -11.3590  12.7571 -18.8349              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0889 T22:   1.2220                                     
REMARK   3      T33:   0.8374 T12:  -0.2294                                     
REMARK   3      T13:   0.1350 T23:   0.1194                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5679 L22:   1.0289                                     
REMARK   3      L33:   2.2083 L12:   0.1590                                     
REMARK   3      L13:  -2.1073 L23:  -0.3178                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.8036 S12:  -0.2885 S13:  -0.3155                       
REMARK   3      S21:   0.9457 S22:   0.1422 S23:   0.3093                       
REMARK   3      S31:  -0.1585 S32:   0.5620 S33:  -0.3361                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 83:98)                           
REMARK   3    ORIGIN FOR THE GROUP (A):  -6.3554  14.4541   1.9958              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5369 T22:   0.6729                                     
REMARK   3      T33:   0.6014 T12:  -0.2217                                     
REMARK   3      T13:  -0.1141 T23:  -0.0247                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.5971 L22:   3.7822                                     
REMARK   3      L33:   2.4493 L12:  -0.9496                                     
REMARK   3      L13:  -3.8629 L23:   0.7070                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1554 S12:  -0.2750 S13:   1.5749                       
REMARK   3      S21:   0.3234 S22:   0.5189 S23:  -0.5637                       
REMARK   3      S31:  -0.2892 S32:   1.6711 S33:  -0.1310                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 99:142)                          
REMARK   3    ORIGIN FOR THE GROUP (A): -29.5306  13.7081   1.1512              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3531 T22:   0.5303                                     
REMARK   3      T33:   0.4028 T12:  -0.1547                                     
REMARK   3      T13:   0.0246 T23:   0.0342                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.9017 L22:   2.6733                                     
REMARK   3      L33:   8.1733 L12:  -0.6550                                     
REMARK   3      L13:   0.4649 L23:   0.0690                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3145 S12:   0.4586 S13:  -0.1246                       
REMARK   3      S21:   0.2681 S22:   0.2017 S23:   0.3737                       
REMARK   3      S31:  -0.1798 S32:  -2.1358 S33:   0.2215                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 143:157)                         
REMARK   3    ORIGIN FOR THE GROUP (A): -43.7787   7.7520  13.6180              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7326 T22:   2.3248                                     
REMARK   3      T33:   0.5881 T12:  -0.3936                                     
REMARK   3      T13:   0.3888 T23:  -0.0376                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.6795 L22:   1.8756                                     
REMARK   3      L33:   2.5975 L12:  -0.3417                                     
REMARK   3      L13:  -1.8472 L23:  -0.8207                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3875 S12:  -0.0801 S13:  -1.3668                       
REMARK   3      S21:   0.5108 S22:   0.0333 S23:   0.6394                       
REMARK   3      S31:   0.3902 S32:  -1.6844 S33:   0.4750                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 158:189)                         
REMARK   3    ORIGIN FOR THE GROUP (A): -37.6820   7.1231  18.9966              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9287 T22:   1.2021                                     
REMARK   3      T33:   0.6360 T12:  -0.2599                                     
REMARK   3      T13:   0.1418 T23:   0.0964                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6218 L22:   4.6022                                     
REMARK   3      L33:   3.5048 L12:   0.8170                                     
REMARK   3      L13:  -0.3900 L23:  -0.0811                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5905 S12:  -0.7927 S13:  -0.4876                       
REMARK   3      S21:   0.8997 S22:   0.0252 S23:   0.5341                       
REMARK   3      S31:   0.6186 S32:  -1.8148 S33:   0.1422                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 190:250)                         
REMARK   3    ORIGIN FOR THE GROUP (A): -31.8164   5.7143   2.4244              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5821 T22:   0.8329                                     
REMARK   3      T33:   0.5174 T12:  -0.3742                                     
REMARK   3      T13:   0.0756 T23:  -0.0091                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.9770 L22:   2.4337                                     
REMARK   3      L33:   3.9923 L12:  -2.0940                                     
REMARK   3      L13:  -0.2945 L23:   0.2674                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2623 S12:   0.2726 S13:  -0.8874                       
REMARK   3      S21:   0.2032 S22:   0.0694 S23:   0.3928                       
REMARK   3      S31:   0.9690 S32:  -2.0383 S33:   0.1862                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 251:266)                         
REMARK   3    ORIGIN FOR THE GROUP (A): -37.7807   5.3098   0.9780              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5737 T22:   1.3922                                     
REMARK   3      T33:   0.7109 T12:  -0.4611                                     
REMARK   3      T13:   0.1218 T23:  -0.0656                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3861 L22:   2.7253                                     
REMARK   3      L33:   4.5064 L12:   0.8509                                     
REMARK   3      L13:   1.8765 L23:   1.3096                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2712 S12:   0.6248 S13:  -0.8531                       
REMARK   3      S21:  -0.4007 S22:  -0.0996 S23:   1.0661                       
REMARK   3      S31:   0.8780 S32:  -2.2076 S33:   0.1249                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESSEQ 267:290)                         
REMARK   3    ORIGIN FOR THE GROUP (A): -13.9153   5.5113  13.2156              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7086 T22:   0.3858                                     
REMARK   3      T33:   0.3921 T12:   0.0914                                     
REMARK   3      T13:  -0.1050 T23:   0.0345                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.6203 L22:   5.1751                                     
REMARK   3      L33:   6.4689 L12:  -3.9895                                     
REMARK   3      L13:  -1.0042 L23:   0.9112                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6658 S12:  -0.6661 S13:   0.1842                       
REMARK   3      S21:   1.0397 S22:   0.5751 S23:  -0.4806                       
REMARK   3      S31:   1.0084 S32:   0.6104 S33:   0.0863                       
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 4TTB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-JUN-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000202202.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 11-DEC-11                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRL                               
REMARK 200  BEAMLINE                       : BL7-1                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.98                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 20957                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.447                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY                : 8.200                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.06100                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 33.8000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.45                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.54                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 7.60                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.61300                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.900                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: 3TO0                                                 
REMARK 200                                                                      
REMARK 200 REMARK: CUBIC CRYSTAL                                                
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 50.20                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.47                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.05 M AMMONIUM SULFATE, 25%             
REMARK 280  PENTAERYTHRITOL ETHOXYLATE, 50 MM BISTRIS, PH 6.5, VAPOR            
REMARK 280  DIFFUSION, HANGING DROP, TEMPERATURE 293.15K                        
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31                             
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+1/3                                            
REMARK 290       3555   -X+Y,-X,Z+2/3                                           
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       31.83833            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       63.67667            
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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 10210 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 16750 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -66.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 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     SER A    31                                                      
REMARK 465     GLY A    32                                                      
REMARK 465     GLU A    33                                                      
REMARK 465     PRO A    34                                                      
REMARK 465     ARG A    35                                                      
REMARK 465     THR A    36                                                      
REMARK 465     ARG A    37                                                      
REMARK 465     ALA A    38                                                      
REMARK 465     GLU A    39                                                      
REMARK 465     ALA A    40                                                      
REMARK 465     ARG A    41                                                      
REMARK 465     PRO A    42                                                      
REMARK 465     TRP A    43                                                      
REMARK 465     VAL A    44                                                      
REMARK 465     ASP A    45                                                      
REMARK 465     GLU A    46                                                      
REMARK 465     ASP A    47                                                      
REMARK 465     LEU A    48                                                      
REMARK 465     LYS A    49                                                      
REMARK 465     ASP A    50                                                      
REMARK 465     SER A    51                                                      
REMARK 465     SER A    52                                                      
REMARK 465     ASP A    53                                                      
REMARK 465     LEU A    54                                                      
REMARK 465     HIS A    55                                                      
REMARK 465     GLN A    56                                                      
REMARK 465     ALA A    57                                                      
REMARK 465     GLU A    58                                                      
REMARK 465     GLU A    59                                                      
REMARK 465     ASP A    60                                                      
REMARK 465     ALA A    61                                                      
REMARK 465     ASP A    62                                                      
REMARK 465     GLU A    63                                                      
REMARK 465     TRP A    64                                                      
REMARK 465     GLN A    65                                                      
REMARK 465     GLU A    66                                                      
REMARK 465     SER A    67                                                      
REMARK 465     GLU A    68                                                      
REMARK 465     GLU A    69                                                      
REMARK 465     ASN A    70                                                      
REMARK 465     TYR A   161                                                      
REMARK 465     MET A   162                                                      
REMARK 465     LYS A   163                                                      
REMARK 465     ARG A   164                                                      
REMARK 465     MET A   165                                                      
REMARK 465     GLY A   166                                                      
REMARK 465     HIS A   167                                                      
REMARK 465     ARG A   168                                                      
REMARK 465     TRP A   169                                                      
REMARK 465     VAL A   170                                                      
REMARK 465     THR A   171                                                      
REMARK 465     ASP A   172                                                      
REMARK 465     LEU A   173                                                      
REMARK 465     LYS A   174                                                      
REMARK 465     LYS A   175                                                      
REMARK 465     LEU A   176                                                      
REMARK 465     ARG A   177                                                      
REMARK 465     THR A   178                                                      
REMARK 465     HIS A   199                                                      
REMARK 465     GLY A   200                                                      
REMARK 465     PHE A   201                                                      
REMARK 465     ALA A   202                                                      
REMARK 465     ALA A   203                                                      
REMARK 465     ASN A   204                                                      
REMARK 465     GLY A   205                                                      
REMARK 465     LYS A   206                                                      
REMARK 465     LYS A   207                                                      
REMARK 465     LYS A   208                                                      
REMARK 465     VAL A   209                                                      
REMARK 465     HIS A   210                                                      
REMARK 465     TYR A   211                                                      
REMARK 465     HIS A   291                                                      
REMARK 465     HIS A   292                                                      
REMARK 465     HIS A   293                                                      
REMARK 465     HIS A   294                                                      
REMARK 465     HIS A   295                                                      
REMARK 465     SER B    31                                                      
REMARK 465     GLY B    32                                                      
REMARK 465     GLU B    33                                                      
REMARK 465     PRO B    34                                                      
REMARK 465     ARG B    35                                                      
REMARK 465     THR B    36                                                      
REMARK 465     ARG B    37                                                      
REMARK 465     ALA B    38                                                      
REMARK 465     GLU B    39                                                      
REMARK 465     ALA B    40                                                      
REMARK 465     ARG B    41                                                      
REMARK 465     PRO B    42                                                      
REMARK 465     TRP B    43                                                      
REMARK 465     VAL B    44                                                      
REMARK 465     ASP B    45                                                      
REMARK 465     GLU B    46                                                      
REMARK 465     ASP B    47                                                      
REMARK 465     LEU B    48                                                      
REMARK 465     LYS B    49                                                      
REMARK 465     ASP B    50                                                      
REMARK 465     SER B    51                                                      
REMARK 465     SER B    52                                                      
REMARK 465     ASP B    53                                                      
REMARK 465     LEU B    54                                                      
REMARK 465     HIS B    55                                                      
REMARK 465     GLN B    56                                                      
REMARK 465     ALA B    57                                                      
REMARK 465     GLU B    58                                                      
REMARK 465     GLU B    59                                                      
REMARK 465     ASP B    60                                                      
REMARK 465     ALA B    61                                                      
REMARK 465     ASP B    62                                                      
REMARK 465     GLU B    63                                                      
REMARK 465     TRP B    64                                                      
REMARK 465     GLN B    65                                                      
REMARK 465     GLU B    66                                                      
REMARK 465     SER B    67                                                      
REMARK 465     GLU B    68                                                      
REMARK 465     GLU B    69                                                      
REMARK 465     ASN B    70                                                      
REMARK 465     TYR B   161                                                      
REMARK 465     MET B   162                                                      
REMARK 465     LYS B   163                                                      
REMARK 465     ARG B   164                                                      
REMARK 465     MET B   165                                                      
REMARK 465     GLY B   166                                                      
REMARK 465     HIS B   167                                                      
REMARK 465     ARG B   168                                                      
REMARK 465     TRP B   169                                                      
REMARK 465     VAL B   170                                                      
REMARK 465     THR B   171                                                      
REMARK 465     ASP B   172                                                      
REMARK 465     LEU B   173                                                      
REMARK 465     LYS B   174                                                      
REMARK 465     LYS B   175                                                      
REMARK 465     LEU B   176                                                      
REMARK 465     ARG B   177                                                      
REMARK 465     THR B   178                                                      
REMARK 465     HIS B   199                                                      
REMARK 465     GLY B   200                                                      
REMARK 465     PHE B   201                                                      
REMARK 465     ALA B   202                                                      
REMARK 465     ALA B   203                                                      
REMARK 465     ASN B   204                                                      
REMARK 465     GLY B   205                                                      
REMARK 465     LYS B   206                                                      
REMARK 465     LYS B   207                                                      
REMARK 465     LYS B   208                                                      
REMARK 465     VAL B   209                                                      
REMARK 465     HIS B   210                                                      
REMARK 465     TYR B   211                                                      
REMARK 465     HIS B   291                                                      
REMARK 465     HIS B   292                                                      
REMARK 465     HIS B   293                                                      
REMARK 465     HIS B   294                                                      
REMARK 465     HIS B   295                                                      
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   OG   SER B   102     O2P  FMN B   301              2.17            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    HIS A  78      -70.90    -59.23                                   
REMARK 500    GLU A 133       58.02     36.45                                   
REMARK 500    ASN A 242      -18.35     76.75                                   
REMARK 500    ALA A 255      -10.51     83.35                                   
REMARK 500    HIS B  80       -2.43     91.19                                   
REMARK 500    GLU B 133       60.91     34.61                                   
REMARK 500    LEU B 260      -59.16   -120.95                                   
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 FMN A 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue FMN B 301                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4TTC   RELATED DB: PDB                                   
DBREF  4TTB A   32   289  UNP    Q6PHW0   IYD1_HUMAN      32    289             
DBREF  4TTB B   32   289  UNP    Q6PHW0   IYD1_HUMAN      32    289             
SEQADV 4TTB SER A   31  UNP  Q6PHW0              EXPRESSION TAG                 
SEQADV 4TTB HIS A  290  UNP  Q6PHW0              EXPRESSION TAG                 
SEQADV 4TTB HIS A  291  UNP  Q6PHW0              EXPRESSION TAG                 
SEQADV 4TTB HIS A  292  UNP  Q6PHW0              EXPRESSION TAG                 
SEQADV 4TTB HIS A  293  UNP  Q6PHW0              EXPRESSION TAG                 
SEQADV 4TTB HIS A  294  UNP  Q6PHW0              EXPRESSION TAG                 
SEQADV 4TTB HIS A  295  UNP  Q6PHW0              EXPRESSION TAG                 
SEQADV 4TTB SER B   31  UNP  Q6PHW0              EXPRESSION TAG                 
SEQADV 4TTB HIS B  290  UNP  Q6PHW0              EXPRESSION TAG                 
SEQADV 4TTB HIS B  291  UNP  Q6PHW0              EXPRESSION TAG                 
SEQADV 4TTB HIS B  292  UNP  Q6PHW0              EXPRESSION TAG                 
SEQADV 4TTB HIS B  293  UNP  Q6PHW0              EXPRESSION TAG                 
SEQADV 4TTB HIS B  294  UNP  Q6PHW0              EXPRESSION TAG                 
SEQADV 4TTB HIS B  295  UNP  Q6PHW0              EXPRESSION TAG                 
SEQRES   1 A  265  SER GLY GLU PRO ARG THR ARG ALA GLU ALA ARG PRO TRP          
SEQRES   2 A  265  VAL ASP GLU ASP LEU LYS ASP SER SER ASP LEU HIS GLN          
SEQRES   3 A  265  ALA GLU GLU ASP ALA ASP GLU TRP GLN GLU SER GLU GLU          
SEQRES   4 A  265  ASN VAL GLU HIS ILE PRO PHE SER HIS ASN HIS TYR PRO          
SEQRES   5 A  265  GLU LYS GLU MET VAL LYS ARG SER GLN GLU PHE TYR GLU          
SEQRES   6 A  265  LEU LEU ASN LYS ARG ARG SER VAL ARG PHE ILE SER ASN          
SEQRES   7 A  265  GLU GLN VAL PRO MET GLU VAL ILE ASP ASN VAL ILE ARG          
SEQRES   8 A  265  THR ALA GLY THR ALA PRO SER GLY ALA HIS THR GLU PRO          
SEQRES   9 A  265  TRP THR PHE VAL VAL VAL LYS ASP PRO ASP VAL LYS HIS          
SEQRES  10 A  265  LYS ILE ARG LYS ILE ILE GLU GLU GLU GLU GLU ILE ASN          
SEQRES  11 A  265  TYR MET LYS ARG MET GLY HIS ARG TRP VAL THR ASP LEU          
SEQRES  12 A  265  LYS LYS LEU ARG THR ASN TRP ILE LYS GLU TYR LEU ASP          
SEQRES  13 A  265  THR ALA PRO ILE LEU ILE LEU ILE PHE LYS GLN VAL HIS          
SEQRES  14 A  265  GLY PHE ALA ALA ASN GLY LYS LYS LYS VAL HIS TYR TYR          
SEQRES  15 A  265  ASN GLU ILE SER VAL SER ILE ALA CYS GLY ILE LEU LEU          
SEQRES  16 A  265  ALA ALA LEU GLN ASN ALA GLY LEU VAL THR VAL THR THR          
SEQRES  17 A  265  THR PRO LEU ASN CYS GLY PRO ARG LEU ARG VAL LEU LEU          
SEQRES  18 A  265  GLY ARG PRO ALA HIS GLU LYS LEU LEU MET LEU LEU PRO          
SEQRES  19 A  265  VAL GLY TYR PRO SER LYS GLU ALA THR VAL PRO ASP LEU          
SEQRES  20 A  265  LYS ARG LYS PRO LEU ASP GLN ILE MET VAL THR VAL HIS          
SEQRES  21 A  265  HIS HIS HIS HIS HIS                                          
SEQRES   1 B  265  SER GLY GLU PRO ARG THR ARG ALA GLU ALA ARG PRO TRP          
SEQRES   2 B  265  VAL ASP GLU ASP LEU LYS ASP SER SER ASP LEU HIS GLN          
SEQRES   3 B  265  ALA GLU GLU ASP ALA ASP GLU TRP GLN GLU SER GLU GLU          
SEQRES   4 B  265  ASN VAL GLU HIS ILE PRO PHE SER HIS ASN HIS TYR PRO          
SEQRES   5 B  265  GLU LYS GLU MET VAL LYS ARG SER GLN GLU PHE TYR GLU          
SEQRES   6 B  265  LEU LEU ASN LYS ARG ARG SER VAL ARG PHE ILE SER ASN          
SEQRES   7 B  265  GLU GLN VAL PRO MET GLU VAL ILE ASP ASN VAL ILE ARG          
SEQRES   8 B  265  THR ALA GLY THR ALA PRO SER GLY ALA HIS THR GLU PRO          
SEQRES   9 B  265  TRP THR PHE VAL VAL VAL LYS ASP PRO ASP VAL LYS HIS          
SEQRES  10 B  265  LYS ILE ARG LYS ILE ILE GLU GLU GLU GLU GLU ILE ASN          
SEQRES  11 B  265  TYR MET LYS ARG MET GLY HIS ARG TRP VAL THR ASP LEU          
SEQRES  12 B  265  LYS LYS LEU ARG THR ASN TRP ILE LYS GLU TYR LEU ASP          
SEQRES  13 B  265  THR ALA PRO ILE LEU ILE LEU ILE PHE LYS GLN VAL HIS          
SEQRES  14 B  265  GLY PHE ALA ALA ASN GLY LYS LYS LYS VAL HIS TYR TYR          
SEQRES  15 B  265  ASN GLU ILE SER VAL SER ILE ALA CYS GLY ILE LEU LEU          
SEQRES  16 B  265  ALA ALA LEU GLN ASN ALA GLY LEU VAL THR VAL THR THR          
SEQRES  17 B  265  THR PRO LEU ASN CYS GLY PRO ARG LEU ARG VAL LEU LEU          
SEQRES  18 B  265  GLY ARG PRO ALA HIS GLU LYS LEU LEU MET LEU LEU PRO          
SEQRES  19 B  265  VAL GLY TYR PRO SER LYS GLU ALA THR VAL PRO ASP LEU          
SEQRES  20 B  265  LYS ARG LYS PRO LEU ASP GLN ILE MET VAL THR VAL HIS          
SEQRES  21 B  265  HIS HIS HIS HIS HIS                                          
HET    FMN  A 301      31                                                       
HET    FMN  B 301      31                                                       
HETNAM     FMN FLAVIN MONONUCLEOTIDE                                            
HETSYN     FMN RIBOFLAVIN MONOPHOSPHATE                                         
FORMUL   3  FMN    2(C17 H21 N4 O9 P)                                           
FORMUL   5  HOH   *42(H2 O)                                                     
HELIX    1 AA1 PRO A   82  LYS A   99  1                                  18    
HELIX    2 AA2 PRO A  112  GLY A  124  1                                  13    
HELIX    3 AA3 SER A  128  THR A  132  5                                   5    
HELIX    4 AA4 ASP A  142  GLU A  158  1                                  17    
HELIX    5 AA5 GLU A  183  ALA A  188  1                                   6    
HELIX    6 AA6 ASN A  213  GLY A  232  1                                  20    
HELIX    7 AA7 CYS A  243  LEU A  251  1                                   9    
HELIX    8 AA8 PRO A  281  GLN A  284  5                                   4    
HELIX    9 AA9 PRO B   82  LYS B   99  1                                  18    
HELIX   10 AB1 PRO B  112  GLY B  124  1                                  13    
HELIX   11 AB2 SER B  128  THR B  132  5                                   5    
HELIX   12 AB3 ASP B  142  GLU B  158  1                                  17    
HELIX   13 AB4 GLU B  183  ALA B  188  1                                   6    
HELIX   14 AB5 ASN B  213  GLY B  232  1                                  20    
HELIX   15 AB6 CYS B  243  LEU B  251  1                                   9    
HELIX   16 AB7 PRO B  281  ILE B  285  1                                   5    
SHEET    1 AA1 2 HIS A  73  PRO A  75  0                                        
SHEET    2 AA1 2 THR B 273  PRO B 275 -1  O  VAL B 274   N  ILE A  74           
SHEET    1 AA2 5 VAL A 234  THR A 235  0                                        
SHEET    2 AA2 5 GLU A 257  GLY A 266 -1  O  GLY A 266   N  VAL A 234           
SHEET    3 AA2 5 ILE A 190  GLN A 197 -1  N  ILE A 190   O  VAL A 265           
SHEET    4 AA2 5 TRP A 135  VAL A 140 -1  N  VAL A 138   O  LEU A 193           
SHEET    5 AA2 5 MET B 286  VAL B 289  1  O  VAL B 287   N  VAL A 139           
SHEET    1 AA3 2 THR A 273  PRO A 275  0                                        
SHEET    2 AA3 2 HIS B  73  PRO B  75 -1  O  ILE B  74   N  VAL A 274           
SHEET    1 AA4 5 MET A 286  VAL A 289  0                                        
SHEET    2 AA4 5 TRP B 135  VAL B 140  1  O  VAL B 139   N  VAL A 287           
SHEET    3 AA4 5 ILE B 190  GLN B 197 -1  O  LEU B 193   N  VAL B 138           
SHEET    4 AA4 5 GLU B 257  GLY B 266 -1  O  LYS B 258   N  LYS B 196           
SHEET    5 AA4 5 VAL B 234  THR B 235 -1  N  VAL B 234   O  GLY B 266           
SITE     1 AC1 14 ARG A 100  ARG A 101  SER A 102  ARG A 104                    
SITE     2 AC1 14 VAL A 236  THR A 237  THR A 239  ARG A 279                    
SITE     3 AC1 14 HOH A 405  PRO B 127  SER B 128  GLY B 129                    
SITE     4 AC1 14 HIS B 131  SER B 216                                          
SITE     1 AC2 14 PRO A 127  SER A 128  GLY A 129  HIS A 131                    
SITE     2 AC2 14 SER A 216  ARG B 100  ARG B 101  SER B 102                    
SITE     3 AC2 14 ARG B 104  VAL B 236  THR B 237  THR B 239                    
SITE     4 AC2 14 ARG B 279  HOH B 407                                          
CRYST1   72.892   72.892   95.515  90.00  90.00 120.00 P 31          6          
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      0.013719  0.007921  0.000000        0.00000                         
SCALE2      0.000000  0.015841  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.010470        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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