GenomeNet

Database: PDB
Entry: 4PRF
LinkDB: 4PRF
Original site: 4PRF 
HEADER    RNA BINDING PROTEIN/RNA                 05-MAR-14   4PRF              
TITLE     A SECOND LOOK AT THE HDV RIBOZYME STRUCTURE AND DYNAMICS.             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: HEPATITIS DELTA VIRUS RIBOZYME;                            
COMPND   3 CHAIN: B;                                                            
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 MOL_ID: 2;                                                           
COMPND   6 MOLECULE: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A;                      
COMPND   7 CHAIN: A;                                                            
COMPND   8 FRAGMENT: U1A_RBD, UNP RESIDUES 98-173;                              
COMPND   9 SYNONYM: U1 SNRNP A, U1-A, U1A;                                      
COMPND  10 ENGINEERED: YES;                                                     
COMPND  11 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: RNA OCCURS FROM HAPATITIS DELTA VIRUS PATHOGEN, IN    
SOURCE   4 VITRO TRANSCRIPTION WITH PUC19;                                      
SOURCE   5 MOL_ID: 2;                                                           
SOURCE   6 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   7 ORGANISM_COMMON: HUMAN;                                              
SOURCE   8 ORGANISM_TAXID: 9606;                                                
SOURCE   9 GENE: SNRPA;                                                         
SOURCE  10 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  11 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  12 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  13 EXPRESSION_SYSTEM_PLASMID: PET                                       
KEYWDS    HDV, RIBOZYME, RNA, U1A, PRECURSOR, TRANSLATION-RNA COMPLEX, RNA      
KEYWDS   2 BINDING PROTEIN-RNA COMPLEX                                          
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    G.J.KAPRAL,S.JAIN,J.NOESKE,J.A.DOUDNA,D.C.RICHARDSON,J.S.RICHARDSON   
REVDAT   2   26-NOV-14 4PRF    1       JRNL                                     
REVDAT   1   29-OCT-14 4PRF    0                                                
SPRSDE     29-OCT-14 4PRF      1VC7                                             
JRNL        AUTH   G.J.KAPRAL,S.JAIN,J.NOESKE,J.A.DOUDNA,D.C.RICHARDSON,        
JRNL        AUTH 2 J.S.RICHARDSON                                               
JRNL        TITL   NEW TOOLS PROVIDE A SECOND LOOK AT HDV RIBOZYME STRUCTURE,   
JRNL        TITL 2 DYNAMICS AND CLEAVAGE.                                       
JRNL        REF    NUCLEIC ACIDS RES.            V.  42 12833 2014              
JRNL        REFN                   ISSN 0305-1048                               
JRNL        PMID   25326328                                                     
JRNL        DOI    10.1093/NAR/GKU992                                           
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.40 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.8.4_1496)                   
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-                     
REMARK   3               : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO,              
REMARK   3               : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL            
REMARK   3               : MORIARTY,REETAL PAI,RANDY READ,JANE                  
REMARK   3               : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM             
REMARK   3               : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH,             
REMARK   3               : LAURENT STORONI,TOM TERWILLIGER,PETER                
REMARK   3               : ZWART                                                
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.40                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 35.53                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.480                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 96.0                           
REMARK   3   NUMBER OF REFLECTIONS             : 16844                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.201                           
REMARK   3   R VALUE            (WORKING SET) : 0.198                           
REMARK   3   FREE R VALUE                     : 0.252                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.070                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 854                             
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 35.5318 -  4.3502    0.98     2869   124  0.1730 0.2196        
REMARK   3     2  4.3502 -  3.4538    0.99     2740   165  0.1721 0.2222        
REMARK   3     3  3.4538 -  3.0175    0.99     2715   146  0.1998 0.2528        
REMARK   3     4  3.0175 -  2.7417    0.97     2681   128  0.2577 0.3258        
REMARK   3     5  2.7417 -  2.5452    0.96     2621   148  0.2939 0.3418        
REMARK   3     6  2.5452 -  2.3950    0.86     2364   143  0.3139 0.3682        
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)     : 0.360            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 28.910           
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      :  0.004           2566                                  
REMARK   3   ANGLE     :  0.644           3828                                  
REMARK   3   CHIRALITY :  0.029            493                                  
REMARK   3   PLANARITY :  0.004            205                                  
REMARK   3   DIHEDRAL  : 13.770           1200                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 2                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: chain A                                                
REMARK   3    ORIGIN FOR THE GROUP (A):  39.2749  44.2177  90.9949              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4505 T22:   0.3729                                     
REMARK   3      T33:   0.4916 T12:   0.0038                                     
REMARK   3      T13:   0.0788 T23:  -0.0186                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0653 L22:   1.3412                                     
REMARK   3      L33:   3.3235 L12:  -1.3092                                     
REMARK   3      L13:  -0.1359 L23:  -0.1806                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0769 S12:  -0.0281 S13:  -0.4372                       
REMARK   3      S21:  -0.1284 S22:   0.0523 S23:  -0.2179                       
REMARK   3      S31:   0.2014 S32:   0.0433 S33:  -0.0001                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: chain B                                                
REMARK   3    ORIGIN FOR THE GROUP (A):  34.7268  81.5790  75.9757              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.2047 T22:   0.5002                                     
REMARK   3      T33:   0.7225 T12:   0.0936                                     
REMARK   3      T13:  -0.0651 T23:   0.0012                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9015 L22:   4.1578                                     
REMARK   3      L33:   1.0061 L12:  -0.4834                                     
REMARK   3      L13:   0.1061 L23:  -1.3253                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2057 S12:   0.0956 S13:   0.6495                       
REMARK   3      S21:   0.0236 S22:   0.1023 S23:  -0.3835                       
REMARK   3      S31:  -0.7865 S32:  -0.1345 S33:  -0.1206                       
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 4PRF COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-MAR-14.                  
REMARK 100 THE RCSB ID CODE IS RCSB085128.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 16-JAN-03                          
REMARK 200  TEMPERATURE           (KELVIN) : 80                                 
REMARK 200  PH                             : 6.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ALS                                
REMARK 200  BEAMLINE                       : 8.2.1                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.0781, 0.9787, 0.9795, 0.9797     
REMARK 200  MONOCHROMATOR                  : GRAPHITE                           
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 4                     
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : NULL                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.395                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 2.560                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 93.1                               
REMARK 200  DATA REDUNDANCY                : NULL                               
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.46                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 75.0                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: MAD                                            
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD                          
REMARK 200 SOFTWARE USED: SOLVE                                                 
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 59.60                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.04                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: SRCL2, NACL, MPD, SODIUM CACODYLATE,     
REMARK 280  SPERMINE-HCL, PH 6.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE    
REMARK 280  277K                                                                
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: H 3 2                            
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z                                                
REMARK 290       3555   -X+Y,-X,Z                                               
REMARK 290       4555   Y,X,-Z                                                  
REMARK 290       5555   X-Y,-Y,-Z                                               
REMARK 290       6555   -X,-X+Y,-Z                                              
REMARK 290       7555   X+2/3,Y+1/3,Z+1/3                                       
REMARK 290       8555   -Y+2/3,X-Y+1/3,Z+1/3                                    
REMARK 290       9555   -X+Y+2/3,-X+1/3,Z+1/3                                   
REMARK 290      10555   Y+2/3,X+1/3,-Z+1/3                                      
REMARK 290      11555   X-Y+2/3,-Y+1/3,-Z+1/3                                   
REMARK 290      12555   -X+2/3,-X+Y+1/3,-Z+1/3                                  
REMARK 290      13555   X+1/3,Y+2/3,Z+2/3                                       
REMARK 290      14555   -Y+1/3,X-Y+2/3,Z+2/3                                    
REMARK 290      15555   -X+Y+1/3,-X+2/3,Z+2/3                                   
REMARK 290      16555   Y+1/3,X+2/3,-Z+2/3                                      
REMARK 290      17555   X-Y+1/3,-Y+2/3,-Z+2/3                                   
REMARK 290      18555   -X+1/3,-X+Y+2/3,-Z+2/3                                  
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   5  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   6 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   7  1.000000  0.000000  0.000000       54.47200            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       31.44942            
REMARK 290   SMTRY3   7  0.000000  0.000000  1.000000       63.91800            
REMARK 290   SMTRY1   8 -0.500000 -0.866025  0.000000       54.47200            
REMARK 290   SMTRY2   8  0.866025 -0.500000  0.000000       31.44942            
REMARK 290   SMTRY3   8  0.000000  0.000000  1.000000       63.91800            
REMARK 290   SMTRY1   9 -0.500000  0.866025  0.000000       54.47200            
REMARK 290   SMTRY2   9 -0.866025 -0.500000  0.000000       31.44942            
REMARK 290   SMTRY3   9  0.000000  0.000000  1.000000       63.91800            
REMARK 290   SMTRY1  10 -0.500000  0.866025  0.000000       54.47200            
REMARK 290   SMTRY2  10  0.866025  0.500000  0.000000       31.44942            
REMARK 290   SMTRY3  10  0.000000  0.000000 -1.000000       63.91800            
REMARK 290   SMTRY1  11  1.000000  0.000000  0.000000       54.47200            
REMARK 290   SMTRY2  11  0.000000 -1.000000  0.000000       31.44942            
REMARK 290   SMTRY3  11  0.000000  0.000000 -1.000000       63.91800            
REMARK 290   SMTRY1  12 -0.500000 -0.866025  0.000000       54.47200            
REMARK 290   SMTRY2  12 -0.866025  0.500000  0.000000       31.44942            
REMARK 290   SMTRY3  12  0.000000  0.000000 -1.000000       63.91800            
REMARK 290   SMTRY1  13  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  13  0.000000  1.000000  0.000000       62.89885            
REMARK 290   SMTRY3  13  0.000000  0.000000  1.000000      127.83600            
REMARK 290   SMTRY1  14 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  14  0.866025 -0.500000  0.000000       62.89885            
REMARK 290   SMTRY3  14  0.000000  0.000000  1.000000      127.83600            
REMARK 290   SMTRY1  15 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  15 -0.866025 -0.500000  0.000000       62.89885            
REMARK 290   SMTRY3  15  0.000000  0.000000  1.000000      127.83600            
REMARK 290   SMTRY1  16 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  16  0.866025  0.500000  0.000000       62.89885            
REMARK 290   SMTRY3  16  0.000000  0.000000 -1.000000      127.83600            
REMARK 290   SMTRY1  17  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  17  0.000000 -1.000000  0.000000       62.89885            
REMARK 290   SMTRY3  17  0.000000  0.000000 -1.000000      127.83600            
REMARK 290   SMTRY1  18 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  18 -0.866025  0.500000  0.000000       62.89885            
REMARK 290   SMTRY3  18  0.000000  0.000000 -1.000000      127.83600            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 2390 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 17310 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -79.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 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 A 217  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       G B    98                                                      
REMARK 465       U B   173                                                      
REMARK 465     MET A     1                                                      
REMARK 465     ALA A     2                                                      
REMARK 465     VAL A     3                                                      
REMARK 465     GLY A    99                                                      
REMARK 465     THR A   100                                                      
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     GLU A   5    CG   CD   OE1  OE2                                  
REMARK 470     LYS A  20    CG   CD   CE   NZ                                   
REMARK 470     ASP A  79    CG   OD1  OD2                                       
REMARK 470     LYS A  98    CG   CD   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   O2'    C B   126     O    HOH B   307              2.16            
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    MET A  97      -71.72   -121.67                                   
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 SR B 201                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR B 202                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4PR6   RELATED DB: PDB                                   
REMARK 900 THE POST-CLEAVED HDV RIBOZYME REREFINED WITH ERRASER AND             
REMARK 900 PHENIX                                                               
DBREF  4PRF A    1   100  UNP    P09012   SNRPA_HUMAN      1    100             
DBREF  4PRF B   98   173  PDB    4PRF     4PRF            98    173             
SEQADV 4PRF HIS A   31  UNP  P09012    TYR    31 ENGINEERED MUTATION            
SEQADV 4PRF ARG A   36  UNP  P09012    GLN    36 ENGINEERED MUTATION            
SEQRES   1 B   76    G   A   U   G   G   C   C   G   G   C   A   U   G          
SEQRES   2 B   76    G   U   C   C   C   A   G   C   C   U   C   C   U          
SEQRES   3 B   76    C   G   C   U   G   G   C   G   C   C   G   G   C          
SEQRES   4 B   76    U   G   G   G   C   A   A   C   A   C   C   A   U          
SEQRES   5 B   76    U   G   C   A   C   U   C   C   G   G   U   G   G          
SEQRES   6 B   76    U   G   A   A   U   G   G   G   A   C   U                  
SEQRES   1 A  100  MET ALA VAL PRO GLU THR ARG PRO ASN HIS THR ILE TYR          
SEQRES   2 A  100  ILE ASN ASN LEU ASN GLU LYS ILE LYS LYS ASP GLU LEU          
SEQRES   3 A  100  LYS LYS SER LEU HIS ALA ILE PHE SER ARG PHE GLY GLN          
SEQRES   4 A  100  ILE LEU ASP ILE LEU VAL SER ARG SER LEU LYS MET ARG          
SEQRES   5 A  100  GLY GLN ALA PHE VAL ILE PHE LYS GLU VAL SER SER ALA          
SEQRES   6 A  100  THR ASN ALA LEU ARG SER MET GLN GLY PHE PRO PHE TYR          
SEQRES   7 A  100  ASP LYS PRO MET ARG ILE GLN TYR ALA LYS THR ASP SER          
SEQRES   8 A  100  ASP ILE ILE ALA LYS MET LYS GLY THR                          
HET     SR  B 201       1                                                       
HET     SR  B 202       1                                                       
HETNAM      SR STRONTIUM ION                                                    
FORMUL   3   SR    2(SR 2+)                                                     
FORMUL   5  HOH   *42(H2 O)                                                     
HELIX    1   1 LYS A   22  SER A   35  1                                  14    
HELIX    2   2 ARG A   36  GLY A   38  5                                   3    
HELIX    3   3 GLU A   61  GLN A   73  1                                  13    
HELIX    4   4 SER A   91  LYS A   96  1                                   6    
SHEET    1   A 4 ILE A  40  VAL A  45  0                                        
SHEET    2   A 4 ALA A  55  PHE A  59 -1  O  ILE A  58   N  LEU A  41           
SHEET    3   A 4 THR A  11  ASN A  15 -1  N  ILE A  14   O  ALA A  55           
SHEET    4   A 4 ARG A  83  TYR A  86 -1  O  GLN A  85   N  TYR A  13           
SHEET    1   B 2 PRO A  76  PHE A  77  0                                        
SHEET    2   B 2 LYS A  80  PRO A  81 -1  O  LYS A  80   N  PHE A  77           
LINK         O4    U B 163                SR    SR B 201     1555   1555  2.39  
LINK         O2'   C B 141                SR    SR B 202     1555   1555  2.48  
SITE     1 AC1  3   U B 120    U B 123    U B 163                               
SITE     1 AC2  1   C B 141                                                     
CRYST1  108.944  108.944  191.754  90.00  90.00 120.00 H 3 2        18          
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      0.009179  0.005300  0.000000        0.00000                         
SCALE2      0.000000  0.010599  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.005215        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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