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Database: PDB
Entry: 1XZZ
LinkDB: 1XZZ
Original site: 1XZZ 
HEADER    MEMBRANE PROTEIN                        13-NOV-04   1XZZ              
TITLE     CRYSTAL STRUCTURE OF THE LIGAND BINDING SUPPRESSOR DOMAIN OF TYPE 1   
TITLE    2 INOSITOL 1,4,5-TRISPHOSPHATE RECEPTOR                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: INOSITOL 1,4,5-TRISPHOSPHATE RECEPTOR TYPE 1;              
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: IP3R SUPPRESSOR DOMAIN (RESIDUES 2-223);                   
COMPND   5 SYNONYM: TYPE 1 INOSITOL 1,4,5- TRISPHOSPHATE RECEPTOR, TYPE 1 INSP3 
COMPND   6 RECEPTOR, IP3 RECEPTOR ISOFORM 1, INSP3R1, INOSITOL 1,4,5-           
COMPND   7 TRISPHOSPHATE-BINDING PROTEIN P400, PURKINJE CELL PROTEIN 1, PROTEIN 
COMPND   8 PCD-6;                                                               
COMPND   9 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE   3 ORGANISM_COMMON: HOUSE MOUSE;                                        
SOURCE   4 ORGANISM_TAXID: 10090;                                               
SOURCE   5 GENE: ITPR1, INSP3R, PCD6, PCP1;                                     
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21-CODONPLUS(DE3);                       
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET-23A(+)                                
KEYWDS    IP3 RECEPTOR, IP3 RECEPTOR SUPPRESSOR DOMAIN, CALCIUM CHANNEL, B-     
KEYWDS   2 TREFOIL FOLD, MEMBRANE PROTEIN                                       
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    I.BOSANAC,H.YAMAZAKI,T.MATSU-URA,T.MICHIKAWA,K.MIKOSHIBA,M.IKURA      
REVDAT   3   13-JUL-11 1XZZ    1       VERSN                                    
REVDAT   2   24-FEB-09 1XZZ    1       VERSN                                    
REVDAT   1   25-JAN-05 1XZZ    0                                                
JRNL        AUTH   I.BOSANAC,H.YAMAZAKI,T.MATSU-URA,T.MICHIKAWA,K.MIKOSHIBA,    
JRNL        AUTH 2 M.IKURA                                                      
JRNL        TITL   CRYSTAL STRUCTURE OF THE LIGAND BINDING SUPPRESSOR DOMAIN OF 
JRNL        TITL 2 TYPE 1 INOSITOL 1,4,5-TRISPHOSPHATE RECEPTOR.                
JRNL        REF    MOL.CELL                      V.  17   193 2005              
JRNL        REFN                   ISSN 1097-2765                               
JRNL        PMID   15664189                                                     
JRNL        DOI    10.1016/J.MOLCEL.2004.11.047                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.80 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.1                                              
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,              
REMARK   3               : READ,RICE,SIMONSON,WARREN                            
REMARK   3                                                                      
REMARK   3  REFINEMENT TARGET : ENGH & HUBER                                    
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 31.08                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 3.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 1185381.350                    
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 97.2                           
REMARK   3   NUMBER OF REFLECTIONS             : 24349                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE            (WORKING SET) : 0.205                           
REMARK   3   FREE R VALUE                     : 0.238                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.900                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1187                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.007                           
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 6                            
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 1.80                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.91                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 92.10                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 3636                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2200                       
REMARK   3   BIN FREE R VALUE                    : 0.2570                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 4.80                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 185                          
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.019                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1705                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 6                                       
REMARK   3   SOLVENT ATOMS            : 130                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 22.50                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 36.20                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -0.68000                                             
REMARK   3    B22 (A**2) : -0.68000                                             
REMARK   3    B33 (A**2) : 1.36000                                              
REMARK   3    B12 (A**2) : 0.32000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.21                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.07                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : 5.00                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : 0.25                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.04                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.007                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.50                            
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 24.40                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 0.76                            
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : RESTRAINED                                
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : 3.550 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 4.510 ; 2.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 5.620 ; 2.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 7.560 ; 2.500                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.36                                                 
REMARK   3   BSOL        : 44.99                                                
REMARK   3                                                                      
REMARK   3  NCS MODEL : NULL                                                    
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  PARAMETER FILE  1  : PROTEIN_REP.PARAM                              
REMARK   3  PARAMETER FILE  2  : CRY_XPLOR_PAR.TXT                              
REMARK   3  PARAMETER FILE  3  : WATER_REP.PARAM                                
REMARK   3  PARAMETER FILE  4  : CIS_PEPTIDE.PARAM                              
REMARK   3  PARAMETER FILE  5  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : PROTEIN.TOP                                    
REMARK   3  TOPOLOGY FILE  2   : CRY_XPLOR_TOP.TXT                              
REMARK   3  TOPOLOGY FILE  3   : WATER_REP.TOP                                  
REMARK   3  TOPOLOGY FILE  4   : NULL                                           
REMARK   3  TOPOLOGY FILE  5   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1XZZ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-NOV-04.                  
REMARK 100 THE RCSB ID CODE IS RCSB030942.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 05-MAR-03; 05-MAR-03               
REMARK 200  TEMPERATURE           (KELVIN) : 100; 100                           
REMARK 200  PH                             : 7.8                                
REMARK 200  NUMBER OF CRYSTALS USED        : 2                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y; Y                               
REMARK 200  RADIATION SOURCE               : APS; APS                           
REMARK 200  BEAMLINE                       : 19-BM; 19-BM                       
REMARK 200  X-RAY GENERATOR MODEL          : NULL; NULL                         
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M; M                               
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9951; 0.9795, 0.9796, 0.9641     
REMARK 200  MONOCHROMATOR                  : ROSENBAUM-ROCK DOUBLE-CRYSTAL      
REMARK 200                                   MONOCHROMATOR; ROSENBAUM-ROCK      
REMARK 200                                   DOUBLE-CRYSTAL MONOCHROMATOR       
REMARK 200  OPTICS                         : ROSENBAUM-ROCK DOUBLE-CRYSTAL      
REMARK 200                                   MONOCHROMATOR: WATER COOLED,       
REMARK 200                                   SAGITALLY FOCUSING 2ND CRYSTAL,    
REMARK 200                                   ROSENBAUM-ROCK VERTICAL FOCUSING   
REMARK 200                                   MIRROR; ROSENBAUM-ROCK DOUBLE-     
REMARK 200                                   CRYSTAL MONOCHROMATOR: WATER       
REMARK 200                                   COOLED, SAGITALLY FOCUSING 2ND     
REMARK 200                                   CRYSTAL, ROSENBAUM-ROCK VERTICAL   
REMARK 200                                   FOCUSING MIRROR                    
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD; CCD                           
REMARK 200  DETECTOR MANUFACTURER          : APS-1; APS-1                       
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 32835                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.640                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 1.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.5                               
REMARK 200  DATA REDUNDANCY                : 13.300                             
REMARK 200  R MERGE                    (I) : 0.04600                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 75.0000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.64                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.70                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 96.4                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 7.00                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.58100                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.700                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH; 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   (%): 51.70                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.55                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: TRIS-HCL, PEG 6000, NACL, TCEP, PH       
REMARK 280  7.8, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K                
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       73.65000            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       42.52185            
REMARK 290   SMTRY3   7  0.000000  0.000000  1.000000       21.66667            
REMARK 290   SMTRY1   8 -0.500000 -0.866025  0.000000       73.65000            
REMARK 290   SMTRY2   8  0.866025 -0.500000  0.000000       42.52185            
REMARK 290   SMTRY3   8  0.000000  0.000000  1.000000       21.66667            
REMARK 290   SMTRY1   9 -0.500000  0.866025  0.000000       73.65000            
REMARK 290   SMTRY2   9 -0.866025 -0.500000  0.000000       42.52185            
REMARK 290   SMTRY3   9  0.000000  0.000000  1.000000       21.66667            
REMARK 290   SMTRY1  10 -0.500000  0.866025  0.000000       73.65000            
REMARK 290   SMTRY2  10  0.866025  0.500000  0.000000       42.52185            
REMARK 290   SMTRY3  10  0.000000  0.000000 -1.000000       21.66667            
REMARK 290   SMTRY1  11  1.000000  0.000000  0.000000       73.65000            
REMARK 290   SMTRY2  11  0.000000 -1.000000  0.000000       42.52185            
REMARK 290   SMTRY3  11  0.000000  0.000000 -1.000000       21.66667            
REMARK 290   SMTRY1  12 -0.500000 -0.866025  0.000000       73.65000            
REMARK 290   SMTRY2  12 -0.866025  0.500000  0.000000       42.52185            
REMARK 290   SMTRY3  12  0.000000  0.000000 -1.000000       21.66667            
REMARK 290   SMTRY1  13  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  13  0.000000  1.000000  0.000000       85.04369            
REMARK 290   SMTRY3  13  0.000000  0.000000  1.000000       43.33333            
REMARK 290   SMTRY1  14 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  14  0.866025 -0.500000  0.000000       85.04369            
REMARK 290   SMTRY3  14  0.000000  0.000000  1.000000       43.33333            
REMARK 290   SMTRY1  15 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  15 -0.866025 -0.500000  0.000000       85.04369            
REMARK 290   SMTRY3  15  0.000000  0.000000  1.000000       43.33333            
REMARK 290   SMTRY1  16 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  16  0.866025  0.500000  0.000000       85.04369            
REMARK 290   SMTRY3  16  0.000000  0.000000 -1.000000       43.33333            
REMARK 290   SMTRY1  17  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  17  0.000000 -1.000000  0.000000       85.04369            
REMARK 290   SMTRY3  17  0.000000  0.000000 -1.000000       43.33333            
REMARK 290   SMTRY1  18 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  18 -0.866025  0.500000  0.000000       85.04369            
REMARK 290   SMTRY3  18  0.000000  0.000000 -1.000000       43.33333            
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 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 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A   -14                                                      
REMARK 465     ALA A   -13                                                      
REMARK 465     SER A   -12                                                      
REMARK 465     MET A   -11                                                      
REMARK 465     THR A   -10                                                      
REMARK 465     GLY A    -9                                                      
REMARK 465     GLY A    -8                                                      
REMARK 465     GLN A    -7                                                      
REMARK 465     GLN A    -6                                                      
REMARK 465     MET A    -5                                                      
REMARK 465     GLY A    -4                                                      
REMARK 465     ARG A    -3                                                      
REMARK 465     GLY A    -2                                                      
REMARK 465     SER A    -1                                                      
REMARK 465     GLU A     0                                                      
REMARK 465     PHE A     1                                                      
REMARK 465     SER A     2                                                      
REMARK 465     ASP A     3                                                      
REMARK 465     LYS A     4                                                      
REMARK 465     MET A     5                                                      
REMARK 465     SER A     6                                                      
REMARK 465     ALA A    76                                                      
REMARK 465     LYS A    77                                                      
REMARK 465     PRO A    78                                                      
REMARK 465     GLY A    79                                                      
REMARK 465     ALA A    80                                                      
REMARK 465     ASN A    81                                                      
REMARK 465     HIS A   229                                                      
REMARK 465     HIS A   230                                                      
REMARK 465     HIS A   231                                                      
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 156     -164.34   -162.14                                   
REMARK 500    ASN A 188      -10.93   -141.22                                   
REMARK 500    PRO A 204     -112.67    -39.73                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 1001                
DBREF  1XZZ A    2   223  UNP    P11881   ITPR1_MOUSE      2    223             
SEQADV 1XZZ MET A  -14  UNP  P11881              CLONING ARTIFACT               
SEQADV 1XZZ ALA A  -13  UNP  P11881              CLONING ARTIFACT               
SEQADV 1XZZ SER A  -12  UNP  P11881              CLONING ARTIFACT               
SEQADV 1XZZ MET A  -11  UNP  P11881              CLONING ARTIFACT               
SEQADV 1XZZ THR A  -10  UNP  P11881              CLONING ARTIFACT               
SEQADV 1XZZ GLY A   -9  UNP  P11881              CLONING ARTIFACT               
SEQADV 1XZZ GLY A   -8  UNP  P11881              CLONING ARTIFACT               
SEQADV 1XZZ GLN A   -7  UNP  P11881              CLONING ARTIFACT               
SEQADV 1XZZ GLN A   -6  UNP  P11881              CLONING ARTIFACT               
SEQADV 1XZZ MET A   -5  UNP  P11881              CLONING ARTIFACT               
SEQADV 1XZZ GLY A   -4  UNP  P11881              CLONING ARTIFACT               
SEQADV 1XZZ ARG A   -3  UNP  P11881              CLONING ARTIFACT               
SEQADV 1XZZ GLY A   -2  UNP  P11881              CLONING ARTIFACT               
SEQADV 1XZZ SER A   -1  UNP  P11881              CLONING ARTIFACT               
SEQADV 1XZZ GLU A    0  UNP  P11881              CLONING ARTIFACT               
SEQADV 1XZZ PHE A    1  UNP  P11881              CLONING ARTIFACT               
SEQADV 1XZZ LEU A  224  UNP  P11881              EXPRESSION TAG                 
SEQADV 1XZZ GLU A  225  UNP  P11881              EXPRESSION TAG                 
SEQADV 1XZZ HIS A  226  UNP  P11881              EXPRESSION TAG                 
SEQADV 1XZZ HIS A  227  UNP  P11881              EXPRESSION TAG                 
SEQADV 1XZZ HIS A  228  UNP  P11881              EXPRESSION TAG                 
SEQADV 1XZZ HIS A  229  UNP  P11881              EXPRESSION TAG                 
SEQADV 1XZZ HIS A  230  UNP  P11881              EXPRESSION TAG                 
SEQADV 1XZZ HIS A  231  UNP  P11881              EXPRESSION TAG                 
SEQRES   1 A  246  MET ALA SER MET THR GLY GLY GLN GLN MET GLY ARG GLY          
SEQRES   2 A  246  SER GLU PHE SER ASP LYS MET SER SER PHE LEU HIS ILE          
SEQRES   3 A  246  GLY ASP ILE CYS SER LEU TYR ALA GLU GLY SER THR ASN          
SEQRES   4 A  246  GLY PHE ILE SER THR LEU GLY LEU VAL ASP ASP ARG CYS          
SEQRES   5 A  246  VAL VAL GLN PRO GLU ALA GLY ASP LEU ASN ASN PRO PRO          
SEQRES   6 A  246  LYS LYS PHE ARG ASP CYS LEU PHE LYS LEU CYS PRO MET          
SEQRES   7 A  246  ASN ARG TYR SER ALA GLN LYS GLN PHE TRP LYS ALA ALA          
SEQRES   8 A  246  LYS PRO GLY ALA ASN SER THR THR ASP ALA VAL LEU LEU          
SEQRES   9 A  246  ASN LYS LEU HIS HIS ALA ALA ASP LEU GLU LYS LYS GLN          
SEQRES  10 A  246  ASN GLU THR GLU ASN ARG LYS LEU LEU GLY THR VAL ILE          
SEQRES  11 A  246  GLN TYR GLY ASN VAL ILE GLN LEU LEU HIS LEU LYS SER          
SEQRES  12 A  246  ASN LYS TYR LEU THR VAL ASN LYS ARG LEU PRO ALA LEU          
SEQRES  13 A  246  LEU GLU LYS ASN ALA MET ARG VAL THR LEU ASP GLU ALA          
SEQRES  14 A  246  GLY ASN GLU GLY SER TRP PHE TYR ILE GLN PRO PHE TYR          
SEQRES  15 A  246  LYS LEU ARG SER ILE GLY ASP SER VAL VAL ILE GLY ASP          
SEQRES  16 A  246  LYS VAL VAL LEU ASN PRO VAL ASN ALA GLY GLN PRO LEU          
SEQRES  17 A  246  HIS ALA SER SER HIS GLN LEU VAL ASP ASN PRO GLY CYS          
SEQRES  18 A  246  ASN GLU VAL ASN SER VAL ASN CYS ASN THR SER TRP LYS          
SEQRES  19 A  246  ILE VAL LEU PHE LEU GLU HIS HIS HIS HIS HIS HIS              
HET    GOL  A1001       6                                                       
HETNAM     GOL GLYCEROL                                                         
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   2  GOL    C3 H8 O3                                                     
FORMUL   3  HOH   *130(H2 O)                                                    
HELIX    1   1 PRO A   41  GLY A   44  5                                   4    
HELIX    2   2 LYS A   52  CYS A   56  5                                   5    
HELIX    3   3 TYR A   66  ALA A   75  1                                  10    
HELIX    4   4 ASP A   85  LEU A  110  1                                  26    
HELIX    5   5 ASN A  156  SER A  159  5                                   4    
SHEET    1   A 9 LEU A 193  GLN A 199  0                                        
SHEET    2   A 9 ASN A 207  SER A 211 -1  O  ASN A 210   N  HIS A 194           
SHEET    3   A 9 CYS A  37  VAL A  39 -1  N  VAL A  39   O  ASN A 207           
SHEET    4   A 9 GLY A  25  THR A  29 -1  N  SER A  28   O  VAL A  38           
SHEET    5   A 9 ILE A  14  GLU A  20 -1  N  ALA A  19   O  GLY A  25           
SHEET    6   A 9 SER A 217  LEU A 224 -1  O  LYS A 219   N  TYR A  18           
SHEET    7   A 9 LYS A 181  PRO A 186 -1  N  VAL A 182   O  TRP A 218           
SHEET    8   A 9 PHE A 161  PRO A 165 -1  N  TYR A 162   O  ASN A 185           
SHEET    9   A 9 VAL A 120  HIS A 125 -1  N  ILE A 121   O  PHE A 161           
SHEET    1   B 7 PHE A  58  CYS A  61  0                                        
SHEET    2   B 7 ILE A  14  GLU A  20 -1  N  CYS A  15   O  PHE A  58           
SHEET    3   B 7 PHE A  58  CYS A  61 -1  O  PHE A  58   N  CYS A  15           
SHEET    4   B 7 VAL A 120  HIS A 125 -1  O  GLN A 122   N  CYS A  61           
SHEET    5   B 7 LYS A 130  PRO A 139 -1  O  LYS A 130   N  HIS A 125           
SHEET    6   B 7 MET A 147  ASP A 152 -1  O  ARG A 148   N  LEU A 138           
SHEET    7   B 7 ASN A 207  SER A 211 -1  O  SER A 211   N  MET A 147           
CISPEP   1 PRO A  204    GLY A  205          0         0.50                     
SITE     1 AC1  7 PHE A 166  TYR A 167  LEU A 169  ARG A 170                    
SITE     2 AC1  7 ASP A 180  LYS A 181  HOH A1103                               
CRYST1  147.300  147.300   65.000  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      0.006789  0.003920  0.000000        0.00000                         
SCALE2      0.000000  0.007839  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.015385        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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