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Database: PDB
Entry: 5YIS
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HEADER    PROTEIN BINDING                         06-OCT-17   5YIS              
TITLE     CRYSTAL STRUCTURE OF ANKB LIR/LC3B COMPLEX                            
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: MICROTUBULE-ASSOCIATED PROTEINS 1A/1B LIGHT CHAIN 3B;      
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 SYNONYM: AUTOPHAGY-RELATED PROTEIN LC3 B,AUTOPHAGY-RELATED UBIQUITIN-
COMPND   5 LIKE MODIFIER LC3 B,MAP1 LIGHT CHAIN 3-LIKE PROTEIN 2,MAP1A/MAP1B    
COMPND   6 LIGHT CHAIN 3 B,MAP1A/MAP1B LC3 B,MICROTUBULE-ASSOCIATED PROTEIN 1   
COMPND   7 LIGHT CHAIN 3 BETA;                                                  
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MOL_ID: 2;                                                           
COMPND  10 MOLECULE: ANKYRIN-2;                                                 
COMPND  11 CHAIN: D, C;                                                         
COMPND  12 FRAGMENT: UNP RESIDUES 1588-1614;                                    
COMPND  13 SYNONYM: ANK-2,ANKYRIN-B,BRAIN ANKYRIN,NON-ERYTHROID ANKYRIN;        
COMPND  14 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
SOURCE   4 ORGANISM_TAXID: 10090;                                               
SOURCE   5 GENE: MAP1LC3B, MAP1ALC3, MAP1LC3;                                   
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  10 ORGANISM_COMMON: HUMAN;                                              
SOURCE  11 ORGANISM_TAXID: 9606;                                                
SOURCE  12 GENE: ANK2;                                                          
SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    AUTOPHAGY, PROTEIN BINDING                                            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.LI,R.ZHU,K.CHEN,H.ZHENG,C.YUAN,H.ZHANG,C.WANG,M.ZHANG               
REVDAT   3   01-AUG-18 5YIS    1       JRNL                                     
REVDAT   2   04-JUL-18 5YIS    1       JRNL                                     
REVDAT   1   23-MAY-18 5YIS    0                                                
JRNL        AUTH   J.LI,R.ZHU,K.CHEN,H.ZHENG,H.ZHAO,C.YUAN,H.ZHANG,C.WANG,      
JRNL        AUTH 2 M.ZHANG                                                      
JRNL        TITL   POTENT AND SPECIFIC ATG8-TARGETING AUTOPHAGY INHIBITORY      
JRNL        TITL 2 PEPTIDES FROM GIANT ANKYRINS.                                
JRNL        REF    NAT. CHEM. BIOL.              V.  14   778 2018              
JRNL        REFN                   ESSN 1552-4469                               
JRNL        PMID   29867141                                                     
JRNL        DOI    10.1038/S41589-018-0082-8                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.20 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.12_2829                                     
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 : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 28.71                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.330                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.4                           
REMARK   3   NUMBER OF REFLECTIONS             : 16013                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.200                           
REMARK   3   R VALUE            (WORKING SET) : 0.197                           
REMARK   3   FREE R VALUE                     : 0.250                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.760                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 763                             
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 28.7146 -  3.7619    0.99     3163   163  0.1638 0.2052        
REMARK   3     2  3.7619 -  2.9869    1.00     3091   130  0.1990 0.2694        
REMARK   3     3  2.9869 -  2.6097    1.00     3033   147  0.2256 0.2746        
REMARK   3     4  2.6097 -  2.3712    1.00     3008   170  0.2432 0.3081        
REMARK   3     5  2.3712 -  2.2013    0.98     2955   153  0.2633 0.3203        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : NULL                                          
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)     : 0.270            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 26.120           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 35.52                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 44.77                          
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      :  0.009           2233                                  
REMARK   3   ANGLE     :  1.016           3027                                  
REMARK   3   CHIRALITY :  0.063            353                                  
REMARK   3   PLANARITY :  0.006            386                                  
REMARK   3   DIHEDRAL  :  7.152           1599                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 19                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 5 THROUGH 37 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):   4.1481  74.2643  12.5927              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2633 T22:   0.2323                                     
REMARK   3      T33:   0.2988 T12:   0.0304                                     
REMARK   3      T13:   0.0163 T23:   0.0062                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.3975 L22:   2.2454                                     
REMARK   3      L33:   4.4503 L12:  -0.1162                                     
REMARK   3      L13:   1.5238 L23:  -2.0168                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0509 S12:   0.3293 S13:  -0.0742                       
REMARK   3      S21:  -0.1591 S22:  -0.0886 S23:   0.1522                       
REMARK   3      S31:  -0.2605 S32:  -0.0703 S33:  -0.0445                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 38 THROUGH 50 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):   9.5625  83.9985  29.3438              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9325 T22:   0.1831                                     
REMARK   3      T33:   0.5945 T12:   0.1399                                     
REMARK   3      T13:  -0.0987 T23:  -0.1212                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.9484 L22:   2.9498                                     
REMARK   3      L33:   4.4889 L12:   1.0912                                     
REMARK   3      L13:   3.0038 L23:   0.1254                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0507 S12:  -1.3373 S13:   0.8600                       
REMARK   3      S21:   1.2015 S22:   0.4005 S23:   0.0303                       
REMARK   3      S31:  -1.5826 S32:  -0.6968 S33:   0.1251                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 51 THROUGH 79 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  14.6568  71.3711  27.9700              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3310 T22:   0.3036                                     
REMARK   3      T33:   0.3423 T12:   0.0590                                     
REMARK   3      T13:   0.0083 T23:  -0.0157                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.0747 L22:   2.8029                                     
REMARK   3      L33:   4.2444 L12:  -2.0426                                     
REMARK   3      L13:  -0.9907 L23:  -0.4546                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2467 S12:  -0.5359 S13:   0.2800                       
REMARK   3      S21:   0.3645 S22:   0.4409 S23:  -0.2218                       
REMARK   3      S31:  -0.4908 S32:   0.1775 S33:  -0.1919                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 80 THROUGH 102 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):   2.7667  67.1971  28.1873              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3696 T22:   0.3707                                     
REMARK   3      T33:   0.3776 T12:   0.0770                                     
REMARK   3      T13:   0.1005 T23:   0.0341                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6981 L22:   2.9592                                     
REMARK   3      L33:   4.8276 L12:   0.2920                                     
REMARK   3      L13:   2.5686 L23:  -0.2156                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3337 S12:  -0.6893 S13:  -0.2621                       
REMARK   3      S21:   0.6921 S22:   0.2250 S23:   0.5450                       
REMARK   3      S31:  -0.0934 S32:  -0.8507 S33:   0.1138                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 103 THROUGH 117 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   1.8636  73.8686  23.5434              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3186 T22:   0.2892                                     
REMARK   3      T33:   0.2475 T12:   0.0817                                     
REMARK   3      T13:   0.0347 T23:  -0.0067                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0121 L22:   3.2333                                     
REMARK   3      L33:   6.0055 L12:  -0.7759                                     
REMARK   3      L13:   0.6977 L23:   0.5675                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2433 S12:  -0.4695 S13:  -0.0179                       
REMARK   3      S21:   0.5233 S22:   0.3855 S23:   0.1896                       
REMARK   3      S31:   0.0567 S32:  -0.1669 S33:  -0.0278                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 4 THROUGH 12 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  31.0362  58.5789  20.5149              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4365 T22:   0.3744                                     
REMARK   3      T33:   0.4594 T12:  -0.0176                                     
REMARK   3      T13:   0.0487 T23:   0.0031                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.9745 L22:   7.1386                                     
REMARK   3      L33:   8.6117 L12:  -0.0307                                     
REMARK   3      L13:   1.4511 L23:  -1.3661                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.7632 S12:   0.0180 S13:  -0.2130                       
REMARK   3      S21:  -0.3119 S22:  -0.0278 S23:  -0.6679                       
REMARK   3      S31:  -0.0512 S32:   0.8664 S33:   0.7231                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 13 THROUGH 26 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  25.1976  51.5629   9.5528              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7475 T22:   0.6676                                     
REMARK   3      T33:   0.3616 T12:  -0.0515                                     
REMARK   3      T13:   0.1637 T23:  -0.0708                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.7055 L22:   4.4514                                     
REMARK   3      L33:   2.7321 L12:   0.8453                                     
REMARK   3      L13:   1.5399 L23:   0.3810                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0658 S12:   1.4426 S13:  -0.2822                       
REMARK   3      S21:  -1.5667 S22:   0.5873 S23:  -0.6274                       
REMARK   3      S31:  -0.0783 S32:   0.6527 S33:  -0.3844                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 27 THROUGH 50 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  27.5346  49.1049  27.2504              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2217 T22:   0.3833                                     
REMARK   3      T33:   0.2686 T12:   0.0553                                     
REMARK   3      T13:  -0.0195 T23:  -0.0608                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7339 L22:   2.7474                                     
REMARK   3      L33:   4.5201 L12:   0.7818                                     
REMARK   3      L13:   1.2442 L23:   0.6345                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0662 S12:   0.0353 S13:  -0.2185                       
REMARK   3      S21:  -0.1022 S22:   0.2503 S23:  -0.3867                       
REMARK   3      S31:   0.1190 S32:   0.3654 S33:  -0.2095                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 51 THROUGH 59 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  20.9471  40.7190  20.1803              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3529 T22:   0.3563                                     
REMARK   3      T33:   0.3627 T12:   0.0613                                     
REMARK   3      T13:  -0.0472 T23:  -0.0948                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.3847 L22:   3.9153                                     
REMARK   3      L33:   4.8763 L12:   0.2592                                     
REMARK   3      L13:  -1.7268 L23:  -1.2584                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.6620 S12:   0.8870 S13:   0.0246                       
REMARK   3      S21:  -0.2494 S22:  -0.0909 S23:   0.2739                       
REMARK   3      S31:   0.8719 S32:   0.4452 S33:  -0.5211                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 60 THROUGH 71 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  24.3124  40.2109  30.0414              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3998 T22:   0.3337                                     
REMARK   3      T33:   0.3673 T12:   0.0449                                     
REMARK   3      T13:  -0.0784 T23:   0.0184                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.6394 L22:   4.6415                                     
REMARK   3      L33:   3.3037 L12:   2.5411                                     
REMARK   3      L13:   1.3567 L23:   1.0375                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5724 S12:  -0.2956 S13:   0.1857                       
REMARK   3      S21:   0.4061 S22:  -0.3057 S23:  -0.0154                       
REMARK   3      S31:   0.9493 S32:   0.2606 S33:  -0.1214                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 72 THROUGH 85 )                   
REMARK   3    ORIGIN FOR THE GROUP (A):  23.3872  45.9718  36.0909              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4528 T22:   0.4798                                     
REMARK   3      T33:   0.3620 T12:  -0.0693                                     
REMARK   3      T13:  -0.0765 T23:   0.0520                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.6938 L22:   4.1990                                     
REMARK   3      L33:   2.7841 L12:  -1.8336                                     
REMARK   3      L13:   0.0507 L23:  -0.5697                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1655 S12:  -0.2985 S13:  -0.3024                       
REMARK   3      S21:   1.0678 S22:  -0.1160 S23:  -0.3384                       
REMARK   3      S31:   0.1247 S32:   0.4948 S33:   0.2338                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 86 THROUGH 102 )                  
REMARK   3    ORIGIN FOR THE GROUP (A):  12.3709  47.4157  25.2685              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2348 T22:   0.2910                                     
REMARK   3      T33:   0.3237 T12:   0.0072                                     
REMARK   3      T13:  -0.0087 T23:  -0.0193                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7142 L22:   3.3929                                     
REMARK   3      L33:   0.9396 L12:   1.0163                                     
REMARK   3      L13:  -0.8211 L23:  -0.1145                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1274 S12:   0.0241 S13:   0.3148                       
REMARK   3      S21:   0.1807 S22:   0.0238 S23:   0.2780                       
REMARK   3      S31:  -0.0239 S32:  -0.2260 S33:  -0.0173                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 103 THROUGH 108 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  19.0312  55.1546  16.0384              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4463 T22:   0.3961                                     
REMARK   3      T33:   0.3422 T12:  -0.0561                                     
REMARK   3      T13:   0.0200 T23:   0.0288                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1134 L22:   3.3202                                     
REMARK   3      L33:   3.4674 L12:  -3.1121                                     
REMARK   3      L13:  -2.9607 L23:   1.8103                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0370 S12:  -0.3595 S13:   0.5426                       
REMARK   3      S21:  -1.2708 S22:   0.3415 S23:  -0.2253                       
REMARK   3      S31:  -0.6021 S32:   0.5474 S33:  -0.4215                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 109 THROUGH 125 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  20.7027  54.0253  36.4359              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2620 T22:   0.3938                                     
REMARK   3      T33:   0.2858 T12:   0.0435                                     
REMARK   3      T13:  -0.0247 T23:  -0.0176                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3610 L22:   3.0578                                     
REMARK   3      L33:   4.6339 L12:   0.6426                                     
REMARK   3      L13:   1.3575 L23:  -0.3283                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0032 S12:  -0.2711 S13:   0.0869                       
REMARK   3      S21:   0.4180 S22:   0.0480 S23:   0.1072                       
REMARK   3      S31:  -0.0301 S32:  -0.6735 S33:  -0.0290                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 122 THROUGH 128 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  29.6515  42.0431  17.9791              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4100 T22:   0.4878                                     
REMARK   3      T33:   0.7753 T12:   0.2284                                     
REMARK   3      T13:   0.1154 T23:  -0.1666                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.8132 L22:   1.3570                                     
REMARK   3      L33:   6.1548 L12:  -0.9668                                     
REMARK   3      L13:  -0.0798 L23:  -2.4938                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1771 S12:   0.8754 S13:  -0.6936                       
REMARK   3      S21:   0.1530 S22:  -0.3423 S23:   0.1529                       
REMARK   3      S31:  -0.2214 S32:  -0.0017 S33:  -0.2041                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'D' AND (RESID 129 THROUGH 134 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  23.8109  31.2281  23.4502              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7069 T22:   0.6024                                     
REMARK   3      T33:   1.9072 T12:   0.0916                                     
REMARK   3      T13:   0.1369 T23:   0.0205                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.9216 L22:   4.2883                                     
REMARK   3      L33:   6.0054 L12:  -0.3020                                     
REMARK   3      L13:   3.4602 L23:   1.6197                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.6119 S12:  -0.2893 S13:  -2.0042                       
REMARK   3      S21:   0.7908 S22:   0.5469 S23:   1.4493                       
REMARK   3      S31:   1.3140 S32:   0.2416 S33:  -0.8739                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 121 THROUGH 128 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  15.6659  75.8851  12.7860              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3022 T22:   0.4044                                     
REMARK   3      T33:   0.3844 T12:   0.0090                                     
REMARK   3      T13:  -0.0444 T23:   0.0746                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1409 L22:   1.9984                                     
REMARK   3      L33:   4.2501 L12:  -0.7846                                     
REMARK   3      L13:   1.0287 L23:  -1.6846                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1233 S12:   0.1678 S13:   0.6690                       
REMARK   3      S21:  -0.3378 S22:  -0.1711 S23:  -0.1797                       
REMARK   3      S31:  -0.0205 S32:   0.5998 S33:   0.2245                       
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 129 THROUGH 136 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  21.7368  64.8851  25.4081              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2654 T22:   0.4590                                     
REMARK   3      T33:   0.4436 T12:   0.0258                                     
REMARK   3      T13:   0.0240 T23:   0.0706                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.4328 L22:   7.3624                                     
REMARK   3      L33:   7.5792 L12:   3.1522                                     
REMARK   3      L13:  -0.4968 L23:  -4.4111                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6398 S12:   0.0849 S13:  -0.4242                       
REMARK   3      S21:  -0.2865 S22:  -0.1823 S23:  -1.0843                       
REMARK   3      S31:   0.3581 S32:   0.7101 S33:   0.7255                       
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 137 THROUGH 145 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  15.8332  59.7660  34.9026              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5430 T22:   0.7581                                     
REMARK   3      T33:   0.4148 T12:   0.1789                                     
REMARK   3      T13:   0.0314 T23:  -0.0691                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.3389 L22:   4.4086                                     
REMARK   3      L33:   3.1887 L12:  -1.3239                                     
REMARK   3      L13:   1.6417 L23:  -3.2116                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -1.0216 S12:  -0.2057 S13:  -0.2022                       
REMARK   3      S21:   0.4514 S22:   0.5078 S23:  -0.1952                       
REMARK   3      S31:  -0.6622 S32:  -0.8830 S33:   0.5204                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : 1                                           
REMARK   3   NCS GROUP : 1                                                      
REMARK   3    NCS OPERATOR : 1                                                  
REMARK   3     REFERENCE SELECTION: (CHAIN A AND (RESID 5 THROUGH 13 OR         
REMARK   3                          (RESID 14 THROUGH 15 AND (NAME N OR NAME    
REMARK   3                          CA OR NAME C OR NAME O OR NAME CB )) OR     
REMARK   3                          RESID 16 THROUGH 25 OR (RESID 26 AND        
REMARK   3                          (NAME N OR NAME CA OR NAME C OR NAME O OR   
REMARK   3                          NAME CB )) OR RESID 27 THROUGH 64 OR        
REMARK   3                          (RESID 65 AND (NAME N OR NAME CA OR NAME    
REMARK   3                          C OR NAME O OR NAME CB OR NAME CG OR NAME   
REMARK   3                          CD )) OR RESID 66 THROUGH 68 OR (RESID 69   
REMARK   3                          AND (NAME N OR NAME CA OR NAME C OR NAME    
REMARK   3                          O OR NAME CB )) OR RESID 71 THROUGH 81 OR   
REMARK   3                          RESID 83 THROUGH 111 OR RESID 113 THROUGH   
REMARK   3                          115))                                       
REMARK   3     SELECTION          : (CHAIN B AND (RESID 5 THROUGH 23 OR         
REMARK   3                          (RESID 24 AND (NAME N OR NAME CA OR NAME    
REMARK   3                          C OR NAME O OR NAME CB OR NAME CG OR NAME   
REMARK   3                          CD )) OR RESID 25 THROUGH 38 OR (RESID 39   
REMARK   3                          AND (NAME N OR NAME CA OR NAME C OR NAME    
REMARK   3                          O OR NAME CB )) OR RESID 40 THROUGH 41 OR   
REMARK   3                          (RESID 42 AND (NAME N OR NAME CA OR NAME    
REMARK   3                          C OR NAME O OR NAME CB )) OR RESID 43       
REMARK   3                          THROUGH 47 OR (RESID 48 THROUGH 49 AND      
REMARK   3                          (NAME N OR NAME CA OR NAME C OR NAME O OR   
REMARK   3                          NAME CB )) OR RESID 50 THROUGH 69 OR        
REMARK   3                          RESID 71 THROUGH 73 OR (RESID 74 THROUGH    
REMARK   3                          78 AND (NAME N OR NAME CA OR NAME C OR      
REMARK   3                          NAME O OR NAME CB )) OR RESID 79 THROUGH    
REMARK   3                          81 OR RESID 83 THROUGH 96 OR (RESID 97      
REMARK   3                          AND (NAME N OR NAME CA OR NAME C OR NAME    
REMARK   3                          O OR NAME CB )) OR RESID 98 THROUGH 111     
REMARK   3                          OR RESID 113 THROUGH 115))                  
REMARK   3     ATOM PAIRS NUMBER  : 964                                         
REMARK   3     RMSD               : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 5YIS COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 11-OCT-17.                  
REMARK 100 THE DEPOSITION ID IS D_1300005361.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 11-NOV-15                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 8.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRF                               
REMARK 200  BEAMLINE                       : BL17U1                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9793                             
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          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 16051                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.200                              
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     (%) : 99.5                               
REMARK 200  DATA REDUNDANCY                : 6.300                              
REMARK 200  R MERGE                    (I) : 0.11100                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 8.5000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.24                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 6.40                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.95400                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: 1UGM                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 42.60                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.14                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 2.4 M AMMONIUM PHOSPHATE DIBASIC, 0.1    
REMARK 280  M TRIS BUFFER (PH 8.5), VAPOR DIFFUSION, TEMPERATURE 289K           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000       30.90100            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       37.07400            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       33.43300            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       37.07400            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       30.90100            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       33.43300            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 2070 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 8090 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -10.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, C                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1570 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 7720 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -16.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, D                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A     1                                                      
REMARK 465     PRO A     2                                                      
REMARK 465     SER A     3                                                      
REMARK 465     GLU A     4                                                      
REMARK 465     THR A   118                                                      
REMARK 465     PHE A   119                                                      
REMARK 465     GLY A   120                                                      
REMARK 465     THR A   121                                                      
REMARK 465     ALA A   122                                                      
REMARK 465     MET A   123                                                      
REMARK 465     ALA A   124                                                      
REMARK 465     VAL A   125                                                      
REMARK 465     MET B     1                                                      
REMARK 465     PRO B     2                                                      
REMARK 465     SER B     3                                                      
REMARK 465     VAL D   120                                                      
REMARK 465     GLU D   121                                                      
REMARK 465     ALA D   135                                                      
REMARK 465     ARG D   136                                                      
REMARK 465     GLN D   137                                                      
REMARK 465     LYS D   138                                                      
REMARK 465     ALA D   139                                                      
REMARK 465     PRO D   140                                                      
REMARK 465     LEU D   141                                                      
REMARK 465     GLU D   142                                                      
REMARK 465     ILE D   143                                                      
REMARK 465     THR D   144                                                      
REMARK 465     GLU D   145                                                      
REMARK 465     TYR D   146                                                      
REMARK 465     TYR C   146                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     LYS A   5    CG   CD   CE   NZ                                   
REMARK 470     ARG A  24    NE   CZ   NH1  NH2                                  
REMARK 470     LYS A  39    CG   CD   CE   NZ                                   
REMARK 470     LYS A  42    CG   CD   CE   NZ                                   
REMARK 470     ASP A  48    CG   OD1  OD2                                       
REMARK 470     LYS A  49    CG   CD   CE   NZ                                   
REMARK 470     ARG A  69    NE   CZ   NH1  NH2                                  
REMARK 470     ASN A  74    CG   OD1  ND2                                       
REMARK 470     ASN A  76    CG   OD1  ND2                                       
REMARK 470     GLN A  77    CG   CD   OE1  NE2                                  
REMARK 470     GLU A  97    CG   CD   OE1  OE2                                  
REMARK 470     GLU A 100    CG   CD   OE1  OE2                                  
REMARK 470     GLU A 117    CG   CD   OE1  OE2                                  
REMARK 470     GLU B   4    CG   CD   OE1  OE2                                  
REMARK 470     LYS B   5    CG   CD   CE   NZ                                   
REMARK 470     GLU B  14    CG   CD   OE1  OE2                                  
REMARK 470     GLN B  15    CG   CD   OE1  NE2                                  
REMARK 470     GLN B  26    CG   CD   OE1  NE2                                  
REMARK 470     LYS B  49    CE   NZ                                             
REMARK 470     LYS B  65    CE   NZ                                             
REMARK 470     ARG B  69    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU B 100    CG   CD   OE1  OE2                                  
REMARK 470     GLU D 122    CG   CD   OE1  OE2                                  
REMARK 470     GLU D 123    CG   CD   OE1  OE2                                  
REMARK 470     ASP D 129    CG   OD1  OD2                                       
REMARK 470     GLU D 130    CG   CD   OE1  OE2                                  
REMARK 470     GLU D 133    CG   CD   OE1  OE2                                  
REMARK 470     GLU D 134    CG   CD   OE1  OE2                                  
REMARK 470     GLU C 130    CG   CD   OE1  OE2                                  
REMARK 470     GLU C 134    CG   CD   OE1  OE2                                  
REMARK 470     LYS C 138    CE   NZ                                             
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   OD2  ASP B   104     O    HOH B   301              2.05            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    LEU B  82   CB  -  CG  -  CD1 ANGL. DEV. = -11.3 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    HIS A  86      -45.23   -137.22                                   
REMARK 500    PHE B  79      119.30   -167.47                                   
REMARK 500    HIS B  86      -16.17   -149.02                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue GOL A 201                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue GOL B 201                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue PO4 B 202                 
DBREF  5YIS A    1   125  UNP    Q9CQV6   MLP3B_MOUSE      1    125             
DBREF  5YIS B    1   125  UNP    Q9CQV6   MLP3B_MOUSE      1    125             
DBREF  5YIS D  120   146  UNP    Q01484   ANK2_HUMAN    1588   1614             
DBREF  5YIS C  121   146  UNP    Q01484   ANK2_HUMAN    1588   1614             
SEQRES   1 A  125  MET PRO SER GLU LYS THR PHE LYS GLN ARG ARG SER PHE          
SEQRES   2 A  125  GLU GLN ARG VAL GLU ASP VAL ARG LEU ILE ARG GLU GLN          
SEQRES   3 A  125  HIS PRO THR LYS ILE PRO VAL ILE ILE GLU ARG TYR LYS          
SEQRES   4 A  125  GLY GLU LYS GLN LEU PRO VAL LEU ASP LYS THR LYS PHE          
SEQRES   5 A  125  LEU VAL PRO ASP HIS VAL ASN MET SER GLU LEU ILE LYS          
SEQRES   6 A  125  ILE ILE ARG ARG ARG LEU GLN LEU ASN ALA ASN GLN ALA          
SEQRES   7 A  125  PHE PHE LEU LEU VAL ASN GLY HIS SER MET VAL SER VAL          
SEQRES   8 A  125  SER THR PRO ILE SER GLU VAL TYR GLU SER GLU ARG ASP          
SEQRES   9 A  125  GLU ASP GLY PHE LEU TYR MET VAL TYR ALA SER GLN GLU          
SEQRES  10 A  125  THR PHE GLY THR ALA MET ALA VAL                              
SEQRES   1 B  125  MET PRO SER GLU LYS THR PHE LYS GLN ARG ARG SER PHE          
SEQRES   2 B  125  GLU GLN ARG VAL GLU ASP VAL ARG LEU ILE ARG GLU GLN          
SEQRES   3 B  125  HIS PRO THR LYS ILE PRO VAL ILE ILE GLU ARG TYR LYS          
SEQRES   4 B  125  GLY GLU LYS GLN LEU PRO VAL LEU ASP LYS THR LYS PHE          
SEQRES   5 B  125  LEU VAL PRO ASP HIS VAL ASN MET SER GLU LEU ILE LYS          
SEQRES   6 B  125  ILE ILE ARG ARG ARG LEU GLN LEU ASN ALA ASN GLN ALA          
SEQRES   7 B  125  PHE PHE LEU LEU VAL ASN GLY HIS SER MET VAL SER VAL          
SEQRES   8 B  125  SER THR PRO ILE SER GLU VAL TYR GLU SER GLU ARG ASP          
SEQRES   9 B  125  GLU ASP GLY PHE LEU TYR MET VAL TYR ALA SER GLN GLU          
SEQRES  10 B  125  THR PHE GLY THR ALA MET ALA VAL                              
SEQRES   1 D   27  VAL GLU GLU GLU TRP VAL ILE VAL SER ASP GLU GLU ILE          
SEQRES   2 D   27  GLU GLU ALA ARG GLN LYS ALA PRO LEU GLU ILE THR GLU          
SEQRES   3 D   27  TYR                                                          
SEQRES   1 C   27  VAL GLU GLU GLU TRP VAL ILE VAL SER ASP GLU GLU ILE          
SEQRES   2 C   27  GLU GLU ALA ARG GLN LYS ALA PRO LEU GLU ILE THR GLU          
SEQRES   3 C   27  TYR                                                          
HET    GOL  A 201       6                                                       
HET    GOL  B 201       6                                                       
HET    PO4  B 202       5                                                       
HETNAM     GOL GLYCEROL                                                         
HETNAM     PO4 PHOSPHATE ION                                                    
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   5  GOL    2(C3 H8 O3)                                                  
FORMUL   7  PO4    O4 P 3-                                                      
FORMUL   8  HOH   *36(H2 O)                                                     
HELIX    1 AA1 THR A    6  ARG A   11  1                                   6    
HELIX    2 AA2 SER A   12  HIS A   27  1                                  16    
HELIX    3 AA3 ASN A   59  LEU A   71  1                                  13    
HELIX    4 AA4 PRO A   94  ARG A  103  1                                  10    
HELIX    5 AA5 THR B    6  ARG B   11  1                                   6    
HELIX    6 AA6 SER B   12  HIS B   27  1                                  16    
HELIX    7 AA7 ASN B   59  GLN B   72  1                                  14    
HELIX    8 AA8 PRO B   94  ARG B  103  1                                  10    
HELIX    9 AA9 SER B  115  MET B  123  1                                   9    
HELIX   10 AB1 SER D  128  GLU D  134  1                                   7    
HELIX   11 AB2 SER C  128  GLN C  137  1                                  10    
SHEET    1 AA1 5 PHE A  80  VAL A  83  0                                        
SHEET    2 AA1 5 LEU A 109  ALA A 114 -1  O  VAL A 112   N  LEU A  82           
SHEET    3 AA1 5 ILE A  31  ARG A  37  1  N  ILE A  34   O  LEU A 109           
SHEET    4 AA1 5 LYS A  51  VAL A  54 -1  O  VAL A  54   N  ILE A  31           
SHEET    5 AA1 5 VAL C 125  ILE C 126  1  O  VAL C 125   N  LEU A  53           
SHEET    1 AA2 5 PHE B  80  VAL B  83  0                                        
SHEET    2 AA2 5 LEU B 109  ALA B 114 -1  O  VAL B 112   N  LEU B  82           
SHEET    3 AA2 5 LYS B  30  ARG B  37  1  N  ILE B  34   O  LEU B 109           
SHEET    4 AA2 5 LYS B  51  PRO B  55 -1  O  VAL B  54   N  ILE B  31           
SHEET    5 AA2 5 TRP D 124  ILE D 126  1  O  VAL D 125   N  LEU B  53           
CISPEP   1 ALA C  139    PRO C  140          0         2.76                     
SITE     1 AC1  4 MET A  60  LEU A  81  MET A  88  VAL A  89                    
SITE     1 AC2  5 ILE B  64  PHE B  80  LEU B  81  MET B  88                    
SITE     2 AC2  5 VAL B  89                                                     
SITE     1 AC3  1 HIS B  27                                                     
CRYST1   61.802   66.866   74.148  90.00  90.00  90.00 P 21 21 21    8          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.016181  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.014955  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.013487        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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