GenomeNet

Database: PDB
Entry: 4WB2
LinkDB: 4WB2
Original site: 4WB2 
HEADER    DNA-RNA HYBRID                          02-SEP-14   4WB2              
TITLE     CRYSTAL STRUCTURE OF THE MIRROR-IMAGE L-RNA/L-DNA APTAMER NOX-D20 IN  
TITLE    2 COMPLEX WITH MOUSE C5A COMPLEMENT ANAPHYLATOXIN                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: COMPLEMENT C5;                                             
COMPND   3 CHAIN: A, B, C;                                                      
COMPND   4 SYNONYM: HEMOLYTIC COMPLEMENT;                                       
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MOL_ID: 2;                                                           
COMPND   7 MOLECULE: MIXED L-RNA/L-DNA MIRROR-IMAGE APTAMER NOX-D20 (40-MER);   
COMPND   8 CHAIN: D, E;                                                         
COMPND   9 ENGINEERED: YES;                                                     
COMPND  10 OTHER_DETAILS: ALL DNA AND RNA NUCLEOTIDES OF THE ENTITY ARE IN THE  
COMPND  11 L-CONFORMATION                                                       
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE   3 ORGANISM_COMMON: HOUSE MOUSE;                                        
SOURCE   4 ORGANISM_TAXID: 10090;                                               
SOURCE   5 GENE: C5, HC;                                                        
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: SHUFFLE T7 EXPRESS;                        
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET32A;                                   
SOURCE  11 MOL_ID: 2;                                                           
SOURCE  12 SYNTHETIC: YES;                                                      
SOURCE  13 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
SOURCE  14 ORGANISM_TAXID: 32630                                                
KEYWDS    PROTEIN-RNA COMPLEX, MIRROR-IMAGE APTAMER, G-QUADRUPLEX, COMPLEMENT   
KEYWDS   2 ANAPHYLATOXIN, DNA-RNA HYBRID                                        
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    L.YATIME,C.MAASCH,K.HOEHLIG,S.KLUSSMANN,A.VATER,G.R.ANDERSEN          
REVDAT   2   17-JAN-18 4WB2    1       REMARK                                   
REVDAT   1   06-MAY-15 4WB2    0                                                
JRNL        AUTH   L.YATIME,C.MAASCH,K.HOEHLIG,S.KLUSSMANN,G.R.ANDERSEN,A.VATER 
JRNL        TITL   STRUCTURAL BASIS FOR THE TARGETING OF COMPLEMENT             
JRNL        TITL 2 ANAPHYLATOXIN C5A USING A MIXED L-RNA/L-DNA APTAMER.         
JRNL        REF    NAT COMMUN                    V.   6  6481 2015              
JRNL        REFN                   ESSN 2041-1723                               
JRNL        PMID   25901944                                                     
JRNL        DOI    10.1038/NCOMMS7481                                           
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.80 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: DEV_1702)                     
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) : 1.80                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 35.88                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 2.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 56027                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.168                           
REMARK   3   R VALUE            (WORKING SET) : 0.167                           
REMARK   3   FREE R VALUE                     : 0.193                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.090                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2853                            
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 35.8846 -  4.8821    0.99     2965   158  0.1527 0.1622        
REMARK   3     2  4.8821 -  3.8765    1.00     2780   156  0.1378 0.1557        
REMARK   3     3  3.8765 -  3.3869    1.00     2798   150  0.1384 0.1656        
REMARK   3     4  3.3869 -  3.0775    0.99     2721   138  0.1541 0.1793        
REMARK   3     5  3.0775 -  2.8570    0.98     2681   157  0.1644 0.1965        
REMARK   3     6  2.8570 -  2.6886    0.98     2697   147  0.1826 0.1949        
REMARK   3     7  2.6886 -  2.5540    0.98     2689   127  0.1813 0.2237        
REMARK   3     8  2.5540 -  2.4428    0.98     2665   134  0.1846 0.2319        
REMARK   3     9  2.4428 -  2.3488    0.98     2652   167  0.1789 0.2151        
REMARK   3    10  2.3488 -  2.2678    0.98     2661   143  0.1774 0.2107        
REMARK   3    11  2.2678 -  2.1969    0.97     2581   151  0.1768 0.2181        
REMARK   3    12  2.1969 -  2.1341    0.97     2647   135  0.1793 0.2083        
REMARK   3    13  2.1341 -  2.0779    0.97     2604   142  0.1853 0.1948        
REMARK   3    14  2.0779 -  2.0272    0.97     2624   118  0.1954 0.2377        
REMARK   3    15  2.0272 -  1.9811    0.96     2581   132  0.2002 0.2223        
REMARK   3    16  1.9811 -  1.9390    0.97     2611   139  0.2056 0.2451        
REMARK   3    17  1.9390 -  1.9002    0.95     2584   145  0.2123 0.2325        
REMARK   3    18  1.9002 -  1.8643    0.96     2527   149  0.2108 0.2463        
REMARK   3    19  1.8643 -  1.8311    0.95     2560   140  0.2295 0.2437        
REMARK   3    20  1.8311 -  1.8000    0.95     2546   125  0.2512 0.2845        
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)     : 0.160            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 19.100           
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      :  0.006           3742                                  
REMARK   3   ANGLE     :  1.366           5434                                  
REMARK   3   CHIRALITY :  0.062            568                                  
REMARK   3   PLANARITY :  0.006            406                                  
REMARK   3   DIHEDRAL  : 43.303           1658                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 5                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN A                                                
REMARK   3    ORIGIN FOR THE GROUP (A):  -3.9830  22.7943  39.3982              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2488 T22:   0.2226                                     
REMARK   3      T33:   0.1579 T12:  -0.0859                                     
REMARK   3      T13:   0.0306 T23:  -0.0458                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1331 L22:   2.8668                                     
REMARK   3      L33:   2.3071 L12:  -1.0871                                     
REMARK   3      L13:   0.1216 L23:   0.4973                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0036 S12:  -0.4368 S13:   0.1571                       
REMARK   3      S21:   0.4935 S22:   0.0121 S23:   0.0299                       
REMARK   3      S31:   0.0318 S32:   0.0631 S33:  -0.0059                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN B                                                
REMARK   3    ORIGIN FOR THE GROUP (A):  13.0384   6.8525  33.7525              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1936 T22:   0.2510                                     
REMARK   3      T33:   0.1992 T12:  -0.0824                                     
REMARK   3      T13:   0.0097 T23:  -0.0214                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.6422 L22:   5.0634                                     
REMARK   3      L33:   2.4533 L12:   0.3006                                     
REMARK   3      L13:   0.9231 L23:   0.8787                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0523 S12:  -0.1583 S13:   0.2320                       
REMARK   3      S21:   0.1460 S22:   0.1445 S23:  -0.4817                       
REMARK   3      S31:  -0.3233 S32:   0.3118 S33:  -0.0807                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN C                                                
REMARK   3    ORIGIN FOR THE GROUP (A): -22.9485  57.9292   1.5107              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4345 T22:   0.3147                                     
REMARK   3      T33:   0.3937 T12:   0.0905                                     
REMARK   3      T13:   0.0121 T23:   0.0871                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4681 L22:   4.6762                                     
REMARK   3      L33:   1.7773 L12:  -1.1809                                     
REMARK   3      L13:   0.9415 L23:  -1.6916                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1202 S12:   0.0636 S13:   0.1372                       
REMARK   3      S21:  -0.5326 S22:   0.2119 S23:   0.7107                       
REMARK   3      S31:  -0.3892 S32:  -0.5727 S33:  -0.2977                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN D AND RESID 1:40                                 
REMARK   3    ORIGIN FOR THE GROUP (A): -11.7641  21.1244  24.7660              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1255 T22:   0.1750                                     
REMARK   3      T33:   0.1948 T12:  -0.0259                                     
REMARK   3      T13:  -0.0033 T23:   0.0387                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1263 L22:   2.7087                                     
REMARK   3      L33:   1.8418 L12:   1.0162                                     
REMARK   3      L13:   0.0372 L23:   0.4466                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0250 S12:   0.1406 S13:   0.3081                       
REMARK   3      S21:  -0.0581 S22:  -0.0168 S23:   0.3368                       
REMARK   3      S31:  -0.0695 S32:  -0.1887 S33:  -0.0003                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN E AND RESID 1:40                                 
REMARK   3    ORIGIN FOR THE GROUP (A):  -6.3825  53.8220   6.7539              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3286 T22:   0.1932                                     
REMARK   3      T33:   0.2595 T12:  -0.0288                                     
REMARK   3      T13:   0.0076 T23:   0.0608                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6480 L22:   3.4548                                     
REMARK   3      L33:   2.6872 L12:   0.6862                                     
REMARK   3      L13:  -0.1939 L23:  -0.4350                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0314 S12:  -0.0930 S13:   0.0095                       
REMARK   3      S21:   0.1450 S22:  -0.0294 S23:  -0.3017                       
REMARK   3      S31:  -0.4291 S32:   0.1089 S33:  -0.0342                       
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 4WB2 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 03-SEP-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000203504.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 24-MAR-13; 16-JUN-13               
REMARK 200  TEMPERATURE           (KELVIN) : 100; 100                           
REMARK 200  PH                             : 6.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y; Y                               
REMARK 200  RADIATION SOURCE               : MAX II; MAX II                     
REMARK 200  BEAMLINE                       : I911-3; I911-3                     
REMARK 200  X-RAY GENERATOR MODEL          : NULL; NULL                         
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M; M                               
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.91; 1.1403                       
REMARK 200  MONOCHROMATOR                  : SI(111); SI(111)                   
REMARK 200  OPTICS                         : NULL; DATASET FOR SAD PHASING      
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD; CCD                           
REMARK 200  DETECTOR MANUFACTURER          : MARMOSAIC 225 MM CCD; MARMOSAIC    
REMARK 200                                   225 MM CCD                         
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : XSCALE                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 57409                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.800                              
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     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : 9.800                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.06500                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 21.6200                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.90                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 8.20                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.980                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH; SINGLE WAVELENGTH           
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD                          
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 56.12                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.80                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M NACL, 0.1 M NA CACODYLATE PH       
REMARK 280  6.0, 8% (W/V) PEG 8000, VAPOR DIFFUSION, HANGING DROP,              
REMARK 280  TEMPERATURE 292K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 2                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z                                                 
REMARK 290       3555   -X+1/2,Y+1/2,-Z                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000       23.23500            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000      141.12700            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       23.23500            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000      141.12700            
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, 3                                                 
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 APPLY THE FOLLOWING TO CHAINS: A, 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 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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 350                                                                      
REMARK 350 BIOMOLECULE: 3                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, E                                  
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 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375      HOH B 918  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH B 924  LIES ON A SPECIAL POSITION.                          
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     GLY A   677                                                      
REMARK 465     PRO A   747                                                      
REMARK 465     HIS A   748                                                      
REMARK 465     LYS A   749                                                      
REMARK 465     PRO A   750                                                      
REMARK 465     VAL A   751                                                      
REMARK 465     GLN A   752                                                      
REMARK 465     LEU A   753                                                      
REMARK 465     GLY A   754                                                      
REMARK 465     ARG A   755                                                      
REMARK 465     GLY B   677                                                      
REMARK 465     ALA B   678                                                      
REMARK 465     ASN B   679                                                      
REMARK 465     LEU B   680                                                      
REMARK 465     HIS B   748                                                      
REMARK 465     LYS B   749                                                      
REMARK 465     PRO B   750                                                      
REMARK 465     VAL B   751                                                      
REMARK 465     GLN B   752                                                      
REMARK 465     LEU B   753                                                      
REMARK 465     GLY B   754                                                      
REMARK 465     ARG B   755                                                      
REMARK 465     VAL C   751                                                      
REMARK 465     GLN C   752                                                      
REMARK 465     LEU C   753                                                      
REMARK 465     GLY C   754                                                      
REMARK 465     ARG C   755                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O    HOH D   290     O    HOH D   311              2.18            
REMARK 500   OE2  GLU A   745     O    HOH A   901              2.19            
REMARK 500   O    HOH E   314     O    HOH E   329              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
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   RES CSSEQI ATM2   DEVIATION                     
REMARK 500     0G D   1   C4     0G D   1   C5      0.091                       
REMARK 500     0G D   1   C5     0G D   1   C6      0.064                       
REMARK 500     0G D   1   C6     0G D   1   N1     -0.049                       
REMARK 500     0G D   1   C5     0G D   1   N7     -0.041                       
REMARK 500     0G D   1   N7     0G D   1   C8      0.053                       
REMARK 500     0C D   2   C5     0C D   2   C6      0.053                       
REMARK 500     0G D   3   C4     0G D   3   C5      0.083                       
REMARK 500     0G D   3   C6     0G D   3   N1     -0.045                       
REMARK 500     0G D   3   C5     0G D   3   N7     -0.042                       
REMARK 500     0G D   3   N7     0G D   3   C8      0.054                       
REMARK 500     0G D   3   N9     0G D   3   C4     -0.050                       
REMARK 500     0A D   4   C4     0A D   4   C5      0.084                       
REMARK 500     0A D   4   C5     0A D   4   C6      0.068                       
REMARK 500     0A D   4   C5     0A D   4   N7     -0.037                       
REMARK 500     0A D   4   N7     0A D   4   C8      0.048                       
REMARK 500     0A D   4   N9     0A D   4   C4     -0.050                       
REMARK 500     0G D   6   C4     0G D   6   C5      0.079                       
REMARK 500     0G D   6   C5     0G D   6   C6      0.063                       
REMARK 500     0G D   6   C6     0G D   6   N1     -0.049                       
REMARK 500     0G D   6   C5     0G D   6   N7     -0.041                       
REMARK 500     0G D   6   N7     0G D   6   C8      0.056                       
REMARK 500     0G D   6   N9     0G D   6   C4     -0.056                       
REMARK 500     0G D   8   C4     0G D   8   C5      0.085                       
REMARK 500     0G D   8   C6     0G D   8   N1     -0.051                       
REMARK 500     0G D   8   C5     0G D   8   N7     -0.042                       
REMARK 500     0G D   8   N7     0G D   8   C8      0.055                       
REMARK 500     0G D   9   C4     0G D   9   C5      0.087                       
REMARK 500     0G D   9   C6     0G D   9   N1     -0.052                       
REMARK 500     0G D   9   C5     0G D   9   N7     -0.043                       
REMARK 500     0G D   9   N7     0G D   9   C8      0.054                       
REMARK 500     0U D  10   C5     0U D  10   C6      0.055                       
REMARK 500     0G D  11   C4     0G D  11   C5      0.094                       
REMARK 500     0G D  11   C5     0G D  11   C6      0.063                       
REMARK 500     0G D  11   C6     0G D  11   N1     -0.049                       
REMARK 500     0G D  11   C5     0G D  11   N7     -0.039                       
REMARK 500     0G D  11   N7     0G D  11   C8      0.053                       
REMARK 500     0G D  12   C4     0G D  12   C5      0.082                       
REMARK 500     0G D  12   C6     0G D  12   N1     -0.047                       
REMARK 500     0G D  12   C5     0G D  12   N7     -0.038                       
REMARK 500     0G D  12   N7     0G D  12   C8      0.052                       
REMARK 500     0G D  12   N9     0G D  12   C4     -0.052                       
REMARK 500    0DG D  14   C4    0DG D  14   C5      0.090                       
REMARK 500    0DG D  14   C6    0DG D  14   N1     -0.047                       
REMARK 500    0DG D  14   C5    0DG D  14   N7     -0.038                       
REMARK 500    0DG D  14   N7    0DG D  14   C8      0.052                       
REMARK 500     0A D  16   C4     0A D  16   C5      0.083                       
REMARK 500     0A D  16   C5     0A D  16   C6      0.072                       
REMARK 500     0A D  16   C5     0A D  16   N7     -0.041                       
REMARK 500     0A D  16   N7     0A D  16   C8      0.047                       
REMARK 500     0A D  16   N9     0A D  16   C4     -0.051                       
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     234 BOND DEVIATIONS.                              
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     0G D   1   C2  -  N3  -  C4  ANGL. DEV. =   9.0 DEGREES          
REMARK 500     0G D   1   N3  -  C4  -  C5  ANGL. DEV. =  -9.9 DEGREES          
REMARK 500     0G D   1   C5  -  C6  -  N1  ANGL. DEV. =   6.4 DEGREES          
REMARK 500     0G D   1   C4  -  C5  -  N7  ANGL. DEV. =  -4.4 DEGREES          
REMARK 500     0G D   1   C5  -  N7  -  C8  ANGL. DEV. =   3.4 DEGREES          
REMARK 500     0G D   1   N3  -  C4  -  N9  ANGL. DEV. =   8.8 DEGREES          
REMARK 500     0G D   1   C6  -  C5  -  N7  ANGL. DEV. =   5.9 DEGREES          
REMARK 500     0G D   1   C5  -  C6  -  O6  ANGL. DEV. =  -7.8 DEGREES          
REMARK 500     0G D   3   C2  -  N3  -  C4  ANGL. DEV. =   8.7 DEGREES          
REMARK 500     0G D   3   N3  -  C4  -  C5  ANGL. DEV. =  -8.7 DEGREES          
REMARK 500     0G D   3   C5  -  C6  -  N1  ANGL. DEV. =   6.7 DEGREES          
REMARK 500     0G D   3   C4  -  C5  -  N7  ANGL. DEV. =  -4.0 DEGREES          
REMARK 500     0G D   3   C5  -  N7  -  C8  ANGL. DEV. =   3.0 DEGREES          
REMARK 500     0G D   3   C8  -  N9  -  C4  ANGL. DEV. =   3.0 DEGREES          
REMARK 500     0G D   3   N3  -  C4  -  N9  ANGL. DEV. =   8.1 DEGREES          
REMARK 500     0G D   3   C6  -  C5  -  N7  ANGL. DEV. =   6.3 DEGREES          
REMARK 500     0G D   3   C5  -  C6  -  O6  ANGL. DEV. =  -8.8 DEGREES          
REMARK 500     0A D   4   N1  -  C2  -  N3  ANGL. DEV. =  -5.4 DEGREES          
REMARK 500     0A D   4   C2  -  N3  -  C4  ANGL. DEV. =   8.9 DEGREES          
REMARK 500     0A D   4   N3  -  C4  -  C5  ANGL. DEV. =  -6.8 DEGREES          
REMARK 500     0A D   4   C4  -  C5  -  N7  ANGL. DEV. =  -3.5 DEGREES          
REMARK 500     0A D   4   C5  -  N7  -  C8  ANGL. DEV. =   3.1 DEGREES          
REMARK 500     0A D   4   N7  -  C8  -  N9  ANGL. DEV. =  -3.3 DEGREES          
REMARK 500     0A D   4   C8  -  N9  -  C4  ANGL. DEV. =   3.9 DEGREES          
REMARK 500     0A D   4   N3  -  C4  -  N9  ANGL. DEV. =   6.9 DEGREES          
REMARK 500     0U D   5   N1  -  C2  -  N3  ANGL. DEV. =   5.4 DEGREES          
REMARK 500     0U D   5   C2  -  N3  -  C4  ANGL. DEV. =  -6.4 DEGREES          
REMARK 500     0U D   5   N3  -  C4  -  C5  ANGL. DEV. =   5.9 DEGREES          
REMARK 500     0U D   5   C5  -  C4  -  O4  ANGL. DEV. =  -6.0 DEGREES          
REMARK 500     0G D   6   C2  -  N3  -  C4  ANGL. DEV. =   8.2 DEGREES          
REMARK 500     0G D   6   N3  -  C4  -  C5  ANGL. DEV. =  -8.0 DEGREES          
REMARK 500     0G D   6   C5  -  C6  -  N1  ANGL. DEV. =   6.2 DEGREES          
REMARK 500     0G D   6   C4  -  C5  -  N7  ANGL. DEV. =  -4.3 DEGREES          
REMARK 500     0G D   6   C5  -  N7  -  C8  ANGL. DEV. =   3.3 DEGREES          
REMARK 500     0G D   6   N7  -  C8  -  N9  ANGL. DEV. =  -3.2 DEGREES          
REMARK 500     0G D   6   C8  -  N9  -  C4  ANGL. DEV. =   3.1 DEGREES          
REMARK 500     0G D   6   N3  -  C4  -  N9  ANGL. DEV. =   6.9 DEGREES          
REMARK 500     0G D   6   C6  -  C5  -  N7  ANGL. DEV. =   6.7 DEGREES          
REMARK 500     0G D   6   C5  -  C6  -  O6  ANGL. DEV. =  -8.2 DEGREES          
REMARK 500     0G D   8   C2  -  N3  -  C4  ANGL. DEV. =   9.5 DEGREES          
REMARK 500     0G D   8   N3  -  C4  -  C5  ANGL. DEV. = -10.2 DEGREES          
REMARK 500     0G D   8   C5  -  C6  -  N1  ANGL. DEV. =   7.3 DEGREES          
REMARK 500     0G D   8   C4  -  C5  -  N7  ANGL. DEV. =  -3.4 DEGREES          
REMARK 500     0G D   8   N3  -  C4  -  N9  ANGL. DEV. =   9.7 DEGREES          
REMARK 500     0G D   8   C6  -  C5  -  N7  ANGL. DEV. =   5.2 DEGREES          
REMARK 500     0G D   8   C5  -  C6  -  O6  ANGL. DEV. =  -9.4 DEGREES          
REMARK 500     0G D   9   C2  -  N3  -  C4  ANGL. DEV. =   8.8 DEGREES          
REMARK 500     0G D   9   N3  -  C4  -  C5  ANGL. DEV. =  -9.6 DEGREES          
REMARK 500     0G D   9   C5  -  C6  -  N1  ANGL. DEV. =   6.9 DEGREES          
REMARK 500     0G D   9   C4  -  C5  -  N7  ANGL. DEV. =  -3.9 DEGREES          
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     449 ANGLE DEVIATIONS.                             
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    ASN A 710       37.77   -157.43                                   
REMARK 500    ASN A 710       25.85   -153.28                                   
REMARK 500    PHE A 711     -144.04   -122.71                                   
REMARK 500    PHE A 711     -144.04   -106.28                                   
REMARK 500    ILE C 724     -159.36    -85.86                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH C 953        DISTANCE =  6.44 ANGSTROMS                       
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA A 802  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP A 705   OD2                                                    
REMARK 620 2  0U D   5   OP2  74.1                                              
REMARK 620 3  0G D   6   OP1 132.3  73.3                                        
REMARK 620 4  0G D  32   OP2  89.7  84.3 120.3                                  
REMARK 620 5 HOH D 248   O   149.1 136.2  73.7  88.2                            
REMARK 620 6 HOH D 247   O    77.7 147.0 139.6  78.8  71.7                      
REMARK 620 7 HOH D 256   O    86.1 118.0  79.6 154.9  82.9  76.1                
REMARK 620 N                    1     2     3     4     5     6                 
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA C 802  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP C 705   OD2                                                    
REMARK 620 2  0U E   5   OP1  76.1                                              
REMARK 620 3  0G E   6   OP1 116.2  99.8                                        
REMARK 620 4  0G E  32   OP2 109.0  69.3 129.1                                  
REMARK 620 5 HOH E 229   O   146.5 134.9  76.2  78.8                            
REMARK 620 6 HOH E 226   O    74.4 146.1 107.9 105.4  72.1                      
REMARK 620 7 HOH E 241   O    86.9 116.5  37.4 164.0  87.7  78.1                
REMARK 620 N                    1     2     3     4     5     6                 
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG D 103  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1  0U D   5   OP1                                                    
REMARK 620 2  0G D  32   OP1  91.3                                              
REMARK 620 3 HOH D 259   O    95.5 165.3                                        
REMARK 620 4 HOH D 249   O   173.6  88.2  86.5                                  
REMARK 620 5 HOH D 250   O    91.1  84.5  82.3  95.2                            
REMARK 620 6 HOH D 315   O    87.3 104.8  88.6  86.6 170.6                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA D 101  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1  0G D  17   O6                                                     
REMARK 620 2  0G D  18   O6   78.4                                              
REMARK 620 3  0G D  19   O6   75.0  75.2                                        
REMARK 620 4  0G D  22   O6  147.9  72.7  84.3                                  
REMARK 620 5  0G D  25   O6  115.8 135.6  69.4  77.9                            
REMARK 620 6  0G D  26   O6  137.1 123.1 142.0  72.6  76.5                      
REMARK 620 7  0G D  27   O6   70.8 143.8 113.2 141.1  76.7  73.1                
REMARK 620 8  0G D  32   O6   75.8  74.9 141.6 108.9 147.4  75.6  79.4          
REMARK 620 N                    1     2     3     4     5     6     7           
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA D 102  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1  0C D  34   OP2                                                    
REMARK 620 2 HOH D 270   O    84.2                                              
REMARK 620 3 HOH D 261   O    76.5 115.8                                        
REMARK 620 4 HOH D 262   O   137.5  75.3  79.6                                  
REMARK 620 5 HOH D 267   O   155.5 116.7 102.9  64.5                            
REMARK 620 6 HOH D 272   O    85.9 157.6  81.1 124.3  70.0                      
REMARK 620 7 HOH D 297   O    88.9  77.5 158.6 121.2  83.9  82.3                
REMARK 620 N                    1     2     3     4     5     6                 
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG E 103  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1  0U E   5   OP2                                                    
REMARK 620 2  0G E  32   OP1  71.3                                              
REMARK 620 3 HOH E 224   O    92.5 118.3                                        
REMARK 620 4 HOH E 225   O    89.7  73.9 167.6                                  
REMARK 620 5 HOH E 227   O   168.9 103.0  98.6  79.5                            
REMARK 620 6 HOH E 230   O    95.4 156.3  80.8  86.8  86.6                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA E 101  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1  0G E  17   O6                                                     
REMARK 620 2  0G E  18   O6   77.7                                              
REMARK 620 3  0G E  19   O6   76.8  74.3                                        
REMARK 620 4  0G E  22   O6  148.4  73.5  83.0                                  
REMARK 620 5  0G E  25   O6  117.8 135.8  70.5  76.5                            
REMARK 620 6  0G E  26   O6  136.2 124.5 141.3  73.0  74.6                      
REMARK 620 7  0G E  27   O6   69.9 145.0 109.9 140.8  73.8  74.9                
REMARK 620 8  0G E  32   O6   77.8  75.7 144.0 107.1 145.1  73.5  84.4          
REMARK 620 N                    1     2     3     4     5     6     7           
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA E 102  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1  0C E  34   OP1                                                    
REMARK 620 2 HOH E 236   O   150.1                                              
REMARK 620 3 HOH E 246   O   142.1  67.0                                        
REMARK 620 4 HOH E 261   O    79.9 107.8  77.9                                  
REMARK 620 5 HOH E 265   O    84.7 115.2  78.1 116.0                            
REMARK 620 6 HOH E 243   O    83.7  68.9 123.7  84.3 154.4                      
REMARK 620 7 HOH E 258   O    80.7  81.5 127.6 153.9  79.3  76.4                
REMARK 620 N                    1     2     3     4     5     6                 
DBREF  4WB2 A  679   755  UNP    P06684   CO5_MOUSE      679    755             
DBREF  4WB2 B  679   755  UNP    P06684   CO5_MOUSE      679    755             
DBREF  4WB2 C  679   755  UNP    P06684   CO5_MOUSE      679    755             
DBREF  4WB2 D    1    40  PDB    4WB2     4WB2             1     40             
DBREF  4WB2 E    1    40  PDB    4WB2     4WB2             1     40             
SEQADV 4WB2 GLY A  677  UNP  P06684              EXPRESSION TAG                 
SEQADV 4WB2 ALA A  678  UNP  P06684              EXPRESSION TAG                 
SEQADV 4WB2 GLY B  677  UNP  P06684              EXPRESSION TAG                 
SEQADV 4WB2 ALA B  678  UNP  P06684              EXPRESSION TAG                 
SEQADV 4WB2 GLY C  677  UNP  P06684              EXPRESSION TAG                 
SEQADV 4WB2 ALA C  678  UNP  P06684              EXPRESSION TAG                 
SEQRES   1 A   79  GLY ALA ASN LEU HIS LEU LEU ARG GLN LYS ILE GLU GLU          
SEQRES   2 A   79  GLN ALA ALA LYS TYR LYS HIS SER VAL PRO LYS LYS CYS          
SEQRES   3 A   79  CYS TYR ASP GLY ALA ARG VAL ASN PHE TYR GLU THR CYS          
SEQRES   4 A   79  GLU GLU ARG VAL ALA ARG VAL THR ILE GLY PRO LEU CYS          
SEQRES   5 A   79  ILE ARG ALA PHE ASN GLU CYS CYS THR ILE ALA ASN LYS          
SEQRES   6 A   79  ILE ARG LYS GLU SER PRO HIS LYS PRO VAL GLN LEU GLY          
SEQRES   7 A   79  ARG                                                          
SEQRES   1 B   79  GLY ALA ASN LEU HIS LEU LEU ARG GLN LYS ILE GLU GLU          
SEQRES   2 B   79  GLN ALA ALA LYS TYR LYS HIS SER VAL PRO LYS LYS CYS          
SEQRES   3 B   79  CYS TYR ASP GLY ALA ARG VAL ASN PHE TYR GLU THR CYS          
SEQRES   4 B   79  GLU GLU ARG VAL ALA ARG VAL THR ILE GLY PRO LEU CYS          
SEQRES   5 B   79  ILE ARG ALA PHE ASN GLU CYS CYS THR ILE ALA ASN LYS          
SEQRES   6 B   79  ILE ARG LYS GLU SER PRO HIS LYS PRO VAL GLN LEU GLY          
SEQRES   7 B   79  ARG                                                          
SEQRES   1 C   79  GLY ALA ASN LEU HIS LEU LEU ARG GLN LYS ILE GLU GLU          
SEQRES   2 C   79  GLN ALA ALA LYS TYR LYS HIS SER VAL PRO LYS LYS CYS          
SEQRES   3 C   79  CYS TYR ASP GLY ALA ARG VAL ASN PHE TYR GLU THR CYS          
SEQRES   4 C   79  GLU GLU ARG VAL ALA ARG VAL THR ILE GLY PRO LEU CYS          
SEQRES   5 C   79  ILE ARG ALA PHE ASN GLU CYS CYS THR ILE ALA ASN LYS          
SEQRES   6 C   79  ILE ARG LYS GLU SER PRO HIS LYS PRO VAL GLN LEU GLY          
SEQRES   7 C   79  ARG                                                          
SEQRES   1 D   40   0G  0C  0G  0A  0U  0G 3KA  0G  0G  0U  0G  0G  0U          
SEQRES   2 D   40  0DG 0DA  0A  0G  0G  0G  0U  0U  0G  0U  0U  0G  0G          
SEQRES   3 D   40   0G 3KA  0G 3KA  0C  0G  0A  0C  0G  0C  0A 0DC  0G          
SEQRES   4 D   40   0C                                                          
SEQRES   1 E   40   0G  0C  0G  0A  0U  0G 3KA  0G  0G  0U  0G  0G  0U          
SEQRES   2 E   40  0DG 0DA  0A  0G  0G  0G  0U  0U  0G  0U  0U  0G  0G          
SEQRES   3 E   40   0G 3KA  0G 3KA  0C  0G  0A  0C  0G  0C  0A 0DC  0G          
SEQRES   4 E   40   0C                                                          
HET     0G  D   1      20                                                       
HET     0C  D   2      20                                                       
HET     0G  D   3      23                                                       
HET     0A  D   4      22                                                       
HET     0U  D   5      20                                                       
HET     0G  D   6      23                                                       
HET    3KA  D   7      19                                                       
HET     0G  D   8      23                                                       
HET     0G  D   9      23                                                       
HET     0U  D  10      20                                                       
HET     0G  D  11      23                                                       
HET     0G  D  12      23                                                       
HET     0U  D  13      20                                                       
HET    0DG  D  14      22                                                       
HET    0DA  D  15      21                                                       
HET     0A  D  16      22                                                       
HET     0G  D  17      23                                                       
HET     0G  D  18      23                                                       
HET     0G  D  19      23                                                       
HET     0U  D  20      20                                                       
HET     0U  D  21      20                                                       
HET     0G  D  22      23                                                       
HET     0U  D  23      20                                                       
HET     0U  D  24      20                                                       
HET     0G  D  25      23                                                       
HET     0G  D  26      23                                                       
HET     0G  D  27      23                                                       
HET    3KA  D  28      19                                                       
HET     0G  D  29      23                                                       
HET    3KA  D  30      19                                                       
HET     0C  D  31      20                                                       
HET     0G  D  32      23                                                       
HET     0A  D  33      22                                                       
HET     0C  D  34      20                                                       
HET     0G  D  35      23                                                       
HET     0C  D  36      20                                                       
HET     0A  D  37      22                                                       
HET    0DC  D  38      19                                                       
HET     0G  D  39      23                                                       
HET     0C  D  40      20                                                       
HET     0G  E   1      20                                                       
HET     0C  E   2      20                                                       
HET     0G  E   3      23                                                       
HET     0A  E   4      22                                                       
HET     0U  E   5      20                                                       
HET     0G  E   6      23                                                       
HET    3KA  E   7      19                                                       
HET     0G  E   8      23                                                       
HET     0G  E   9      23                                                       
HET     0U  E  10      20                                                       
HET     0G  E  11      23                                                       
HET     0G  E  12      23                                                       
HET     0U  E  13      20                                                       
HET    0DG  E  14      22                                                       
HET    0DA  E  15      21                                                       
HET     0A  E  16      22                                                       
HET     0G  E  17      23                                                       
HET     0G  E  18      23                                                       
HET     0G  E  19      23                                                       
HET     0U  E  20      20                                                       
HET     0U  E  21      20                                                       
HET     0G  E  22      23                                                       
HET     0U  E  23      20                                                       
HET     0U  E  24      20                                                       
HET     0G  E  25      23                                                       
HET     0G  E  26      23                                                       
HET     0G  E  27      23                                                       
HET    3KA  E  28      19                                                       
HET     0G  E  29      23                                                       
HET    3KA  E  30      19                                                       
HET     0C  E  31      20                                                       
HET     0G  E  32      23                                                       
HET     0A  E  33      22                                                       
HET     0C  E  34      20                                                       
HET     0G  E  35      23                                                       
HET     0C  E  36      20                                                       
HET     0A  E  37      22                                                       
HET    0DC  E  38      19                                                       
HET     0G  E  39      23                                                       
HET     0C  E  40      20                                                       
HET    ACT  A 801       4                                                       
HET     CA  A 802       1                                                       
HET    ACT  B 801       4                                                       
HET    ACT  B 802       4                                                       
HET    ACT  C 801       4                                                       
HET     CA  C 802       1                                                       
HET     CA  D 101       1                                                       
HET     CA  D 102       1                                                       
HET     MG  D 103       1                                                       
HET    ACT  D 104       4                                                       
HET     CA  E 101       1                                                       
HET     CA  E 102       1                                                       
HET     MG  E 103       1                                                       
HET    ACT  E 104       4                                                       
HETNAM      0G L-GUANOSINE-5'-MONOPHOSPHATE                                     
HETNAM      0C L-CYTIDINE-5'-MONOPHOSPHATE                                      
HETNAM      0A L-ADENOSINE-5'-MONOPHOSPHATE                                     
HETNAM      0U L-URIDINE-5'-MONOPHOSPHATE                                       
HETNAM     3KA 1-(2-DEOXY-5-O-PHOSPHONO-BETA-L-ERYTHRO-                         
HETNAM   2 3KA  PENTOFURANOSYL)PYRIMIDINE-2,4(1H,3H)-DIONE                      
HETNAM     0DG 2'-DEOXY-L-RIBO-FURANOSYL GUANINE-5'-MONOPHOSPHATE               
HETNAM     0DA 2'-DEOXY-L-RIBO-FURANOSYL ADENOSINE-5'-MONOPHOSPHATE             
HETNAM     0DC 2'-DEOXY-L-RIBO-FURANOSYL CYTOSINE-5'-MONOPHOSPHATE              
HETNAM     ACT ACETATE ION                                                      
HETNAM      CA CALCIUM ION                                                      
HETNAM      MG MAGNESIUM ION                                                    
HETSYN     3KA L-2'-DEOXYURIDINE-5'-MONOPHOSPHATE                               
FORMUL   4   0G    36(C10 H14 N5 O8 P)                                          
FORMUL   4   0C    10(C9 H14 N3 O8 P)                                           
FORMUL   4   0A    8(C10 H14 N5 O7 P)                                           
FORMUL   4   0U    14(C9 H13 N2 O9 P)                                           
FORMUL   4  3KA    6(C9 H13 N2 O8 P)                                            
FORMUL   4  0DG    2(C10 H14 N5 O7 P)                                           
FORMUL   4  0DA    2(C10 H14 N5 O6 P)                                           
FORMUL   4  0DC    2(C9 H14 N3 O7 P)                                            
FORMUL   6  ACT    6(C2 H3 O2 1-)                                               
FORMUL   7   CA    6(CA 2+)                                                     
FORMUL  14   MG    2(MG 2+)                                                     
FORMUL  20  HOH   *508(H2 O)                                                    
HELIX    1 AA1 ASN A  679  ALA A  692  1                                  14    
HELIX    2 AA2 HIS A  696  ARG A  708  1                                  13    
HELIX    3 AA3 THR A  714  ALA A  720  1                                   7    
HELIX    4 AA4 GLY A  725  GLU A  745  1                                  21    
HELIX    5 AA5 LEU B  682  ALA B  692  1                                  11    
HELIX    6 AA6 HIS B  696  ARG B  708  1                                  13    
HELIX    7 AA7 THR B  714  ALA B  720  1                                   7    
HELIX    8 AA8 GLY B  725  GLU B  745  1                                  21    
HELIX    9 AA9 ASN C  679  ALA C  692  1                                  14    
HELIX   10 AB1 HIS C  696  ALA C  707  1                                  12    
HELIX   11 AB2 THR C  714  ALA C  720  1                                   7    
HELIX   12 AB3 GLY C  725  GLU C  745  1                                  21    
SSBOND   1 CYS A  702    CYS A  728                          1555   1555  2.04  
SSBOND   2 CYS A  703    CYS A  735                          1555   1555  2.03  
SSBOND   3 CYS A  715    CYS A  736                          1555   1555  2.04  
SSBOND   4 CYS B  702    CYS B  728                          1555   1555  2.04  
SSBOND   5 CYS B  703    CYS B  735                          1555   1555  2.02  
SSBOND   6 CYS B  715    CYS B  736                          1555   1555  2.03  
SSBOND   7 CYS C  702    CYS C  728                          1555   1555  2.03  
SSBOND   8 CYS C  703    CYS C  735                          1555   1555  2.03  
SSBOND   9 CYS C  715    CYS C  736                          1555   1555  2.04  
LINK         OD2 ASP A 705                CA    CA A 802     1555   1555  2.50  
LINK         OD2 ASP C 705                CA    CA C 802     1555   1555  2.45  
LINK         O3'  0G D   1                 P    0C D   2     1555   1555  1.60  
LINK         O3'  0C D   2                 P    0G D   3     1555   1555  1.61  
LINK         OP1  0U D   5                MG    MG D 103     1555   1555  2.01  
LINK         OP2  0U D   5                CA    CA A 802     1555   1555  2.34  
LINK         O3'  0U D   5                 P    0G D   6     1555   1555  1.61  
LINK         OP1  0G D   6                CA    CA A 802     1555   1555  2.49  
LINK         O3'  0G D   6                 P   3KA D   7     1555   1555  1.60  
LINK         O3' 3KA D   7                 P    0G D   8     1555   1555  1.62  
LINK         O3'  0G D   8                 P    0G D   9     1555   1555  1.60  
LINK         O3'  0G D   9                 P    0U D  10     1555   1555  1.61  
LINK         O3'  0U D  10                 P    0G D  11     1555   1555  1.60  
LINK         O3'  0G D  11                 P    0G D  12     1555   1555  1.60  
LINK         O3'  0G D  12                 P    0U D  13     1555   1555  1.60  
LINK         O3'  0U D  13                 P   0DG D  14     1555   1555  1.60  
LINK         O3' 0DG D  14                 P   0DA D  15     1555   1555  1.62  
LINK         O3'  0G D  17                 P    0G D  18     1555   1555  1.62  
LINK         O6   0G D  17                CA    CA D 101     1555   1555  2.59  
LINK         O3'  0G D  18                 P    0G D  19     1555   1555  1.60  
LINK         O6   0G D  18                CA    CA D 101     1555   1555  2.52  
LINK         O3'  0G D  19                 P    0U D  20     1555   1555  1.60  
LINK         O6   0G D  19                CA    CA D 101     1555   1555  2.46  
LINK         O3'  0U D  20                 P    0U D  21     1555   1555  1.61  
LINK         O3'  0U D  21                 P    0G D  22     1555   1555  1.61  
LINK         O3'  0G D  22                 P    0U D  23     1555   1555  1.60  
LINK         O6   0G D  22                CA    CA D 101     1555   1555  2.50  
LINK         O3'  0U D  23                 P    0U D  24     1555   1555  1.61  
LINK         O3'  0U D  24                 P    0G D  25     1555   1555  1.60  
LINK         O3'  0G D  25                 P    0G D  26     1555   1555  1.61  
LINK         O6   0G D  25                CA    CA D 101     1555   1555  2.60  
LINK         O3'  0G D  26                 P    0G D  27     1555   1555  1.61  
LINK         O6   0G D  26                CA    CA D 101     1555   1555  2.52  
LINK         O3'  0G D  27                 P   3KA D  28     1555   1555  1.61  
LINK         O6   0G D  27                CA    CA D 101     1555   1555  2.46  
LINK         O3' 3KA D  28                 P    0G D  29     1555   1555  1.61  
LINK         O3'  0G D  29                 P   3KA D  30     1555   1555  1.61  
LINK         O3' 3KA D  30                 P    0C D  31     1555   1555  1.61  
LINK         O3'  0C D  31                 P    0G D  32     1555   1555  1.61  
LINK         OP1  0G D  32                MG    MG D 103     1555   1555  2.08  
LINK         OP2  0G D  32                CA    CA A 802     1555   1555  2.26  
LINK         O6   0G D  32                CA    CA D 101     1555   1555  2.53  
LINK         OP2  0C D  34                CA    CA D 102     1555   1555  2.28  
LINK         O3'  0C D  34                 P    0G D  35     1555   1555  1.61  
LINK         O3'  0G D  35                 P    0C D  36     1555   1555  1.60  
LINK         O3' 0DC D  38                 P    0G D  39     1555   1555  1.61  
LINK         O3'  0G D  39                 P    0C D  40     1555   1555  1.60  
LINK         O3'  0G E   1                 P    0C E   2     1555   1555  1.61  
LINK         O3'  0C E   2                 P    0G E   3     1555   1555  1.61  
LINK         OP1  0U E   5                CA    CA C 802     1555   1555  2.39  
LINK         OP2  0U E   5                MG    MG E 103     1555   1555  1.98  
LINK         O3'  0U E   5                 P    0G E   6     1555   1555  1.61  
LINK         OP1  0G E   6                CA    CA C 802     1555   1555  3.95  
LINK         O3'  0G E   6                 P   3KA E   7     1555   1555  1.61  
LINK         O3' 3KA E   7                 P    0G E   8     1555   1555  1.61  
LINK         O3'  0G E   8                 P    0G E   9     1555   1555  1.61  
LINK         O3'  0G E   9                 P    0U E  10     1555   1555  1.62  
LINK         O3'  0U E  10                 P    0G E  11     1555   1555  1.61  
LINK         O3'  0G E  11                 P    0G E  12     1555   1555  1.60  
LINK         O3'  0G E  12                 P    0U E  13     1555   1555  1.60  
LINK         O3'  0U E  13                 P   0DG E  14     1555   1555  1.61  
LINK         O3' 0DG E  14                 P   0DA E  15     1555   1555  1.61  
LINK         O3'  0G E  17                 P    0G E  18     1555   1555  1.61  
LINK         O6   0G E  17                CA    CA E 101     1555   1555  2.51  
LINK         O3'  0G E  18                 P    0G E  19     1555   1555  1.62  
LINK         O6   0G E  18                CA    CA E 101     1555   1555  2.49  
LINK         O3'  0G E  19                 P    0U E  20     1555   1555  1.60  
LINK         O6   0G E  19                CA    CA E 101     1555   1555  2.42  
LINK         O3'  0U E  20                 P    0U E  21     1555   1555  1.60  
LINK         O3'  0U E  21                 P    0G E  22     1555   1555  1.61  
LINK         O3'  0G E  22                 P    0U E  23     1555   1555  1.60  
LINK         O6   0G E  22                CA    CA E 101     1555   1555  2.52  
LINK         O3'  0U E  23                 P    0U E  24     1555   1555  1.60  
LINK         O3'  0U E  24                 P    0G E  25     1555   1555  1.61  
LINK         O3'  0G E  25                 P    0G E  26     1555   1555  1.61  
LINK         O6   0G E  25                CA    CA E 101     1555   1555  2.56  
LINK         O3'  0G E  26                 P    0G E  27     1555   1555  1.61  
LINK         O6   0G E  26                CA    CA E 101     1555   1555  2.50  
LINK         O3'  0G E  27                 P   3KA E  28     1555   1555  1.61  
LINK         O6   0G E  27                CA    CA E 101     1555   1555  2.47  
LINK         O3' 3KA E  28                 P    0G E  29     1555   1555  1.60  
LINK         O3'  0G E  29                 P   3KA E  30     1555   1555  1.61  
LINK         O3' 3KA E  30                 P    0C E  31     1555   1555  1.60  
LINK         O3'  0C E  31                 P    0G E  32     1555   1555  1.61  
LINK         OP1  0G E  32                MG    MG E 103     1555   1555  3.92  
LINK         OP2  0G E  32                CA    CA C 802     1555   1555  4.31  
LINK         O6   0G E  32                CA    CA E 101     1555   1555  2.50  
LINK         OP1  0C E  34                CA    CA E 102     1555   1555  2.40  
LINK         O3'  0C E  34                 P    0G E  35     1555   1555  1.61  
LINK         O3'  0G E  35                 P    0C E  36     1555   1555  1.60  
LINK         O3' 0DC E  38                 P    0G E  39     1555   1555  1.60  
LINK         O3'  0G E  39                 P    0C E  40     1555   1555  1.61  
LINK        CA    CA A 802                 O   HOH D 248     1555   1555  2.61  
LINK        CA    CA A 802                 O   HOH D 247     1555   1555  2.52  
LINK        CA    CA A 802                 O   HOH D 256     1555   1555  2.46  
LINK        CA    CA C 802                 O   HOH E 229     1555   1555  2.46  
LINK        CA    CA C 802                 O   HOH E 226     1555   1555  2.54  
LINK        CA    CA C 802                 O   HOH E 241     1555   1555  2.35  
LINK        CA    CA D 102                 O   HOH D 270     1555   1555  2.40  
LINK        CA    CA D 102                 O   HOH D 261     1555   1555  2.48  
LINK        CA    CA D 102                 O   HOH D 262     1555   1555  2.60  
LINK        CA    CA D 102                 O   HOH D 267     1555   1555  2.55  
LINK        CA    CA D 102                 O   HOH D 272     1555   1555  2.57  
LINK        CA    CA D 102                 O   HOH D 297     1555   1555  2.40  
LINK        MG    MG D 103                 O   HOH D 259     1555   1555  2.21  
LINK        MG    MG D 103                 O   HOH D 249     1555   1555  2.12  
LINK        MG    MG D 103                 O   HOH D 250     1555   1555  2.12  
LINK        MG    MG D 103                 O   HOH D 315     1555   1555  2.05  
LINK        CA    CA E 102                 O   HOH E 236     1555   1555  2.64  
LINK        CA    CA E 102                 O   HOH E 246     1555   1555  2.62  
LINK        CA    CA E 102                 O   HOH E 261     1555   1555  2.40  
LINK        CA    CA E 102                 O   HOH E 265     1555   1555  2.36  
LINK        CA    CA E 102                 O   HOH E 243     1555   1555  2.41  
LINK        CA    CA E 102                 O   HOH E 258     1555   1555  2.48  
LINK        MG    MG E 103                 O   HOH E 224     1555   1555  2.09  
LINK        MG    MG E 103                 O   HOH E 225     1555   1555  2.04  
LINK        MG    MG E 103                 O   HOH E 227     1555   1555  2.09  
LINK        MG    MG E 103                 O   HOH E 230     1555   1555  2.16  
CRYST1   46.470  282.254   45.899  90.00  90.00  90.00 P 21 21 2    12          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.021519  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.003543  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.021787        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system