GenomeNet

Database: PDB
Entry: 5C30
LinkDB: 5C30
Original site: 5C30 
HEADER    CONTRACTILE PROTEIN                     16-JUN-15   5C30              
TITLE     CRYSTAL STRUCTURE OF RABBIT RYANODINE RECEPTOR 1 REPEAT12 DOMAIN      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: RYANODINE RECEPTOR 1;                                      
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: REPEAT12 DOMAIN (UNP RESIDUES 857-1054);                   
COMPND   5 SYNONYM: RYR1, SKELETAL MUSCLE CALCIUM RELEASE CHANNEL, SKELETAL     
COMPND   6 MUSCLE RYANODINE RECEPTOR, SKELETAL MUSCLE-TYPE RYANODINE RECEPTOR,  
COMPND   7 TYPE 1 RYANODINE RECEPTOR;                                           
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS;                          
SOURCE   3 ORGANISM_COMMON: RABBIT;                                             
SOURCE   4 ORGANISM_TAXID: 9986;                                                
SOURCE   5 GENE: RYR1;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: ROSETTA(DE3);                              
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET28-HMT                                 
KEYWDS    REPEAT MOTIF, CONTRACTILE PROTEIN                                     
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    Z.YUCHI,F.VAN PETEGEM                                                 
REVDAT   3   06-SEP-17 5C30    1       REMARK                                   
REVDAT   2   19-AUG-15 5C30    1       JRNL                                     
REVDAT   1   05-AUG-15 5C30    0                                                
JRNL        AUTH   Z.YUCHI,S.M.YUEN,K.LAU,A.Q.UNDERHILL,R.L.CORNEA,             
JRNL        AUTH 2 J.D.FESSENDEN,F.VAN PETEGEM                                  
JRNL        TITL   CRYSTAL STRUCTURES OF RYANODINE RECEPTOR SPRY1 AND           
JRNL        TITL 2 TANDEM-REPEAT DOMAINS REVEAL A CRITICAL FKBP12 BINDING       
JRNL        TITL 3 DETERMINANT.                                                 
JRNL        REF    NAT COMMUN                    V.   6  7947 2015              
JRNL        REFN                   ESSN 2041-1723                               
JRNL        PMID   26245150                                                     
JRNL        DOI    10.1038/NCOMMS8947                                           
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.55 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.9_1692                                      
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.55                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 47.22                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 2.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.1                           
REMARK   3   NUMBER OF REFLECTIONS             : 50026                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.150                           
REMARK   3   R VALUE            (WORKING SET) : 0.149                           
REMARK   3   FREE R VALUE                     : 0.165                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 3.740                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1869                            
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 47.2419 -  3.6442    1.00     3902   150  0.1514 0.1537        
REMARK   3     2  3.6442 -  2.8926    1.00     3789   151  0.1340 0.1667        
REMARK   3     3  2.8926 -  2.5270    1.00     3750   148  0.1379 0.1442        
REMARK   3     4  2.5270 -  2.2959    1.00     3736   143  0.1349 0.1416        
REMARK   3     5  2.2959 -  2.1314    0.99     3718   141  0.1361 0.1526        
REMARK   3     6  2.1314 -  2.0057    0.99     3673   142  0.1438 0.1664        
REMARK   3     7  2.0057 -  1.9053    0.99     3688   144  0.1537 0.1496        
REMARK   3     8  1.9053 -  1.8223    0.99     3680   145  0.1581 0.2029        
REMARK   3     9  1.8223 -  1.7522    0.98     3641   141  0.1668 0.1847        
REMARK   3    10  1.7522 -  1.6917    0.99     3676   144  0.1844 0.2096        
REMARK   3    11  1.6917 -  1.6388    0.99     3641   139  0.1886 0.2052        
REMARK   3    12  1.6388 -  1.5920    0.98     3610   138  0.2087 0.2575        
REMARK   3    13  1.5920 -  1.5500    0.98     3653   143  0.2389 0.2713        
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)     : 0.150            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 16.330           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 19.82                          
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      :  0.011           1672                                  
REMARK   3   ANGLE     :  1.355           2288                                  
REMARK   3   CHIRALITY :  0.059            245                                  
REMARK   3   PLANARITY :  0.008            307                                  
REMARK   3   DIHEDRAL  : 12.250            644                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: ALL                                                    
REMARK   3    ORIGIN FOR THE GROUP (A):   5.1552  73.8508  70.6741              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1476 T22:   0.0998                                     
REMARK   3      T33:   0.1538 T12:   0.0127                                     
REMARK   3      T13:  -0.0014 T23:   0.0088                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7958 L22:   1.5380                                     
REMARK   3      L33:   2.0877 L12:   0.4128                                     
REMARK   3      L13:   0.0026 L23:   0.4466                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0148 S12:  -0.0044 S13:   0.0612                       
REMARK   3      S21:  -0.0717 S22:  -0.0005 S23:   0.0755                       
REMARK   3      S31:  -0.1205 S32:  -0.0425 S33:   0.0108                       
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 5C30 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-JUN-15.                  
REMARK 100 THE DEPOSITION ID IS D_1000210915.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 02-AUG-12                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 23-ID-D                            
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.033                              
REMARK 200  MONOCHROMATOR                  : DOUBLE CRYSTAL SI(111)             
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARMOSAIC 300 MM CCD               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : XDS                                
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 50032                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.550                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 47.220                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.2                               
REMARK 200  DATA REDUNDANCY                : 11.90                              
REMARK 200  R MERGE                    (I) : 0.12300                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 13.8200                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.55                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.61                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.1                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 12.10                              
REMARK 200  R MERGE FOR SHELL          (I) : 1.50900                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.170                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD                          
REMARK 200 SOFTWARE USED: PHENIX                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 67.81                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.82                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M HEPES, PH 7.0, 19% W/V PEG20000,   
REMARK 280  VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+1/3                                            
REMARK 290       3555   -X+Y,-X,Z+2/3                                           
REMARK 290       4555   Y,X,-Z                                                  
REMARK 290       5555   X-Y,-Y,-Z+2/3                                           
REMARK 290       6555   -X,-X+Y,-Z+1/3                                          
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       22.40667            
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       44.81333            
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       44.81333            
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       22.40667            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 180 ANGSTROM**2                           
REMARK 350 SURFACE AREA OF THE COMPLEX: 10740 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 2.0 KCAL/MOL                          
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 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 A1565  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     SER A   854                                                      
REMARK 465     ASN A   855                                                      
REMARK 465     ALA A   856                                                      
REMARK 465     ASP A   857                                                      
REMARK 465     THR A   858                                                      
REMARK 465     VAL A   859                                                      
REMARK 465     GLN A   860                                                      
REMARK 465     ALA A  1009                                                      
REMARK 465     VAL A  1010                                                      
REMARK 465     GLN A  1011                                                      
REMARK 465     ASP A  1012                                                      
REMARK 465     ILE A  1013                                                      
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     ILE A 861    CG1  CG2  CD1                                       
REMARK 470     GLU A 872    CG   CD   OE1  OE2                                  
REMARK 470     GLU A 915    CG   CD   OE1  OE2                                  
REMARK 470     LYS A 945    CG   CD   CE   NZ                                   
REMARK 470     LYS A 957    CG   CD   CE   NZ                                   
REMARK 470     PRO A1014    CG   CD                                             
REMARK 470     ARG A1016    CG   CD   NE   CZ   NH1  NH2                        
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   OD2  ASP A   948     HZ1  LYS A   966     5676     1.53            
REMARK 500   O    HOH A  1253     O    HOH A  1253     5676     2.16            
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 A1583        DISTANCE =  5.84 ANGSTROMS                       
REMARK 525    HOH A1584        DISTANCE =  6.36 ANGSTROMS                       
REMARK 525    HOH A1585        DISTANCE =  6.53 ANGSTROMS                       
REMARK 525    HOH A1586        DISTANCE =  7.65 ANGSTROMS                       
REMARK 525    HOH A1587        DISTANCE =  8.22 ANGSTROMS                       
REMARK 525    HOH A1588        DISTANCE = 12.05 ANGSTROMS                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue IPA A 1101                
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 5C33   RELATED DB: PDB                                   
DBREF  5C30 A  857  1054  UNP    P11716   RYR1_RABIT     857   1054             
SEQADV 5C30 SER A  854  UNP  P11716              EXPRESSION TAG                 
SEQADV 5C30 ASN A  855  UNP  P11716              EXPRESSION TAG                 
SEQADV 5C30 ALA A  856  UNP  P11716              EXPRESSION TAG                 
SEQADV 5C30 ALA A  906  UNP  P11716    CYS   906 ENGINEERED MUTATION            
SEQADV 5C30 ALA A  937  UNP  P11716    CYS   937 ENGINEERED MUTATION            
SEQADV 5C30 ALA A 1040  UNP  P11716    CYS  1040 ENGINEERED MUTATION            
SEQRES   1 A  201  SER ASN ALA ASP THR VAL GLN ILE VAL LEU PRO PRO HIS          
SEQRES   2 A  201  LEU GLU ARG ILE ARG GLU LYS LEU ALA GLU ASN ILE HIS          
SEQRES   3 A  201  GLU LEU TRP ALA LEU THR ARG ILE GLU GLN GLY TRP THR          
SEQRES   4 A  201  TYR GLY PRO VAL ARG ASP ASP ASN LYS ARG LEU HIS PRO          
SEQRES   5 A  201  ALA LEU VAL ASN PHE HIS SER LEU PRO GLU PRO GLU ARG          
SEQRES   6 A  201  ASN TYR ASN LEU GLN MET SER GLY GLU THR LEU LYS THR          
SEQRES   7 A  201  LEU LEU ALA LEU GLY ALA HIS VAL GLY MET ALA ASP GLU          
SEQRES   8 A  201  LYS ALA GLU ASP ASN LEU LYS LYS THR LYS LEU PRO LYS          
SEQRES   9 A  201  THR TYR MET MET SER ASN GLY TYR LYS PRO ALA PRO LEU          
SEQRES  10 A  201  ASP LEU SER HIS VAL ARG LEU THR PRO ALA GLN THR THR          
SEQRES  11 A  201  LEU VAL ASP ARG LEU ALA GLU ASN GLY HIS ASN VAL TRP          
SEQRES  12 A  201  ALA ARG ASP ARG VAL ALA GLN GLY TRP SER TYR SER ALA          
SEQRES  13 A  201  VAL GLN ASP ILE PRO ALA ARG ARG ASN PRO ARG LEU VAL          
SEQRES  14 A  201  PRO TYR ARG LEU LEU ASP GLU ALA THR LYS ARG SER ASN          
SEQRES  15 A  201  ARG ASP SER LEU ALA GLN ALA VAL ARG THR LEU LEU GLY          
SEQRES  16 A  201  TYR GLY TYR ASN ILE GLU                                      
HET    IPA  A1101      24                                                       
HETNAM     IPA ISOPROPYL ALCOHOL                                                
HETSYN     IPA 2-PROPANOL                                                       
FORMUL   2  IPA    C3 H8 O                                                      
FORMUL   3  HOH   *388(H2 O)                                                    
HELIX    1 AA1 PRO A  864  HIS A  866  5                                   3    
HELIX    2 AA2 LEU A  867  GLN A  889  1                                  23    
HELIX    3 AA3 ASN A  909  LEU A  913  5                                   5    
HELIX    4 AA4 PRO A  914  LEU A  935  1                                  22    
HELIX    5 AA5 LYS A  945  LEU A  950  1                                   6    
HELIX    6 AA6 PRO A  956  MET A  960  5                                   5    
HELIX    7 AA7 THR A  978  ASN A  991  1                                  14    
HELIX    8 AA8 ARG A 1025  LEU A 1027  5                                   3    
HELIX    9 AA9 ASP A 1028  TYR A 1049  1                                  22    
SHEET    1 AA1 2 THR A 892  TYR A 893  0                                        
SHEET    2 AA1 2 LEU A 903  HIS A 904  1  O  HIS A 904   N  THR A 892           
SHEET    1 AA2 2 VAL A 939  MET A 941  0                                        
SHEET    2 AA2 2 TYR A1051  ILE A1053 -1  O  ASN A1052   N  GLY A 940           
SHEET    1 AA3 3 ALA A1002  TRP A1005  0                                        
SHEET    2 AA3 3 ASN A 994  ALA A 997 -1  N  ALA A 997   O  ALA A1002           
SHEET    3 AA3 3 LEU A1021  PRO A1023 -1  O  VAL A1022   N  TRP A 996           
SITE     1 AC1  8 VAL A 975  ARG A 976  LEU A 977  ARG A1044                    
SITE     2 AC1  8 HOH A1320  HOH A1351  HOH A1389  HOH A1477                    
CRYST1   94.440   94.440   67.220  90.00  90.00 120.00 P 31 2 1      6          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.010589  0.006113  0.000000        0.00000                         
SCALE2      0.000000  0.012227  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.014877        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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