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Database: PDB
Entry: 3AT9
LinkDB: 3AT9
Original site: 3AT9 
HEADER    TRANSPORT PROTEIN                       28-DEC-10   3AT9              
TITLE     CRYSTAL STRUCTURE OF THE KIR3.2 CYTOPLASMIC DOMAIN (NA+-FREE CRYSTAL  
TITLE    2 SOAKED IN 10 MM BARIUM CHLORIDE AND 10 MM MAGNESIUM CHLORIDE)        
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: POTASSIUM INWARDLY-RECTIFYING CHANNEL, SUBFAMILY J, MEMBER 
COMPND   3 6;                                                                   
COMPND   4 CHAIN: A;                                                            
COMPND   5 FRAGMENT: RESIDUES 53-74, 200-381;                                   
COMPND   6 SYNONYM: G PROTEIN-ACTIVATED INWARD RECTIFIER POTASSIUM CHANNEL 2;   
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 OTHER_DETAILS: CYTOPLASMIC N- AND C-TERMINI (RESIDUES 53-74 AND 200- 
COMPND   9 381, RESPECTIVELY) OF G-PROTEIN-GATED INWARD RECTIFIER POTASSIUM     
COMPND  10 CHANNEL KIR3.2 ARE CONCATENATED DIRECTLY.                            
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
SOURCE   4 ORGANISM_TAXID: 10090;                                               
SOURCE   5 STRAIN: BALB/C;                                                      
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: ROSSETA2 (DE3);                            
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET28A                                    
KEYWDS    CYTOPLASMIC ASSEMBLY, BETA-BARREL, ION TRANSPORT, G PROTEIN BETA-     
KEYWDS   2 GAMMA SUBUNITS, TRANSPORT PROTEIN                                    
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    A.INANOBE,Y.KURACHI                                                   
REVDAT   4   11-OCT-17 3AT9    1       REMARK                                   
REVDAT   3   16-AUG-17 3AT9    1       SOURCE REMARK                            
REVDAT   2   05-JUN-13 3AT9    1       JRNL                                     
REVDAT   1   19-OCT-11 3AT9    0                                                
JRNL        AUTH   A.INANOBE,A.NAKAGAWA,Y.KURACHI                               
JRNL        TITL   INTERACTIONS OF CATIONS WITH THE CYTOPLASMIC PORES OF INWARD 
JRNL        TITL 2 RECTIFIER K(+) CHANNELS IN THE CLOSED STATE                  
JRNL        REF    J.BIOL.CHEM.                  V. 286 41801 2011              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   21982822                                                     
JRNL        DOI    10.1074/JBC.M111.278531                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    3.30 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.5.0109                                      
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 3.30                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 47.99                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.0                           
REMARK   3   NUMBER OF REFLECTIONS             : 4669                           
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 + TEST SET) : 0.236                           
REMARK   3   R VALUE            (WORKING SET) : 0.231                           
REMARK   3   FREE R VALUE                     : 0.269                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 14.100                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 660                             
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 3.30                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 3.38                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 271                          
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 88.92                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2690                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 34                           
REMARK   3   BIN FREE R VALUE                    : 0.3430                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1568                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 1                                       
REMARK   3   SOLVENT ATOMS            : 0                                       
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 74.04                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -0.27000                                             
REMARK   3    B22 (A**2) : -0.27000                                             
REMARK   3    B33 (A**2) : 0.55000                                              
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): NULL          
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.587         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.440         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 26.410        
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.904                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.881                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  1605 ; 0.010 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  2172 ; 1.186 ; 1.956       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   196 ; 5.781 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):    76 ;31.154 ;23.947       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   287 ;17.828 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):    11 ;19.574 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   246 ; 0.075 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  1203 ; 0.004 ; 0.021       
REMARK   3   GENERAL PLANES OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):   977 ; 1.851 ; 1.500       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  1587 ; 2.406 ; 2.000       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):   628 ; 0.993 ; 3.000       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):   584 ; 1.638 ; 4.500       
REMARK   3   SIDE-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B REFINED ATOMS     (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B OTHER ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : MASK                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.40                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING   
REMARK   3  POSITIONS U VALUES: REFINED INDIVIDUALLY                            
REMARK   4                                                                      
REMARK   4 3AT9 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 18-JAN-11.                  
REMARK 100 THE DEPOSITION ID IS D_1000029667.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 02-JUN-10                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 8.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SPRING-8                           
REMARK 200  BEAMLINE                       : BL44XU                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.6000                             
REMARK 200  MONOCHROMATOR                  : DOUBLE CRYSTAL                     
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : RAYONIX MX225HE                    
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 114306                             
REMARK 200  RESOLUTION RANGE HIGH      (A) : 3.300                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.2                               
REMARK 200  DATA REDUNDANCY                : 24.50                              
REMARK 200  R MERGE                    (I) : 0.18100                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 12.9000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.30                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 3.42                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.7                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 10.50                              
REMARK 200  R MERGE FOR SHELL          (I) : 0.60400                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.500                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 59.38                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.03                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: ETHANOL, PH 8.0, HANGING DROP,           
REMARK 280  TEMPERATURE 277K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 4 2 2                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z                                                 
REMARK 290       3555   -Y,X,Z                                                  
REMARK 290       4555   Y,-X,Z                                                  
REMARK 290       5555   -X,Y,-Z                                                 
REMARK 290       6555   X,-Y,-Z                                                 
REMARK 290       7555   Y,X,-Z                                                  
REMARK 290       8555   -Y,-X,-Z                                                
REMARK 290       9555   X+1/2,Y+1/2,Z+1/2                                       
REMARK 290      10555   -X+1/2,-Y+1/2,Z+1/2                                     
REMARK 290      11555   -Y+1/2,X+1/2,Z+1/2                                      
REMARK 290      12555   Y+1/2,-X+1/2,Z+1/2                                      
REMARK 290      13555   -X+1/2,Y+1/2,-Z+1/2                                     
REMARK 290      14555   X+1/2,-Y+1/2,-Z+1/2                                     
REMARK 290      15555   Y+1/2,X+1/2,-Z+1/2                                      
REMARK 290      16555   -Y+1/2,-X+1/2,-Z+1/2                                    
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4 -1.000000  0.000000  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  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   7  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   9  1.000000  0.000000  0.000000       40.84550            
REMARK 290   SMTRY2   9  0.000000  1.000000  0.000000       40.84550            
REMARK 290   SMTRY3   9  0.000000  0.000000  1.000000       86.21450            
REMARK 290   SMTRY1  10 -1.000000  0.000000  0.000000       40.84550            
REMARK 290   SMTRY2  10  0.000000 -1.000000  0.000000       40.84550            
REMARK 290   SMTRY3  10  0.000000  0.000000  1.000000       86.21450            
REMARK 290   SMTRY1  11  0.000000 -1.000000  0.000000       40.84550            
REMARK 290   SMTRY2  11  1.000000  0.000000  0.000000       40.84550            
REMARK 290   SMTRY3  11  0.000000  0.000000  1.000000       86.21450            
REMARK 290   SMTRY1  12  0.000000  1.000000  0.000000       40.84550            
REMARK 290   SMTRY2  12 -1.000000  0.000000  0.000000       40.84550            
REMARK 290   SMTRY3  12  0.000000  0.000000  1.000000       86.21450            
REMARK 290   SMTRY1  13 -1.000000  0.000000  0.000000       40.84550            
REMARK 290   SMTRY2  13  0.000000  1.000000  0.000000       40.84550            
REMARK 290   SMTRY3  13  0.000000  0.000000 -1.000000       86.21450            
REMARK 290   SMTRY1  14  1.000000  0.000000  0.000000       40.84550            
REMARK 290   SMTRY2  14  0.000000 -1.000000  0.000000       40.84550            
REMARK 290   SMTRY3  14  0.000000  0.000000 -1.000000       86.21450            
REMARK 290   SMTRY1  15  0.000000  1.000000  0.000000       40.84550            
REMARK 290   SMTRY2  15  1.000000  0.000000  0.000000       40.84550            
REMARK 290   SMTRY3  15  0.000000  0.000000 -1.000000       86.21450            
REMARK 290   SMTRY1  16  0.000000 -1.000000  0.000000       40.84550            
REMARK 290   SMTRY2  16 -1.000000  0.000000  0.000000       40.84550            
REMARK 290   SMTRY3  16  0.000000  0.000000 -1.000000       86.21450            
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: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 12150 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 34530 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -13.0 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 350   BIOMT1   2 -1.000000  0.000000  0.000000      -81.69100            
REMARK 350   BIOMT2   2  0.000000 -1.000000  0.000000       81.69100            
REMARK 350   BIOMT3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   3  0.000000 -1.000000  0.000000        0.00000            
REMARK 350   BIOMT2   3  1.000000  0.000000  0.000000       81.69100            
REMARK 350   BIOMT3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   4  0.000000  1.000000  0.000000      -81.69100            
REMARK 350   BIOMT2   4 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT3   4  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 MG    MG A   1  LIES ON A SPECIAL POSITION.                          
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     GLY A    49                                                      
REMARK 465     SER A    50                                                      
REMARK 465     HIS A    51                                                      
REMARK 465     MET A    52                                                      
REMARK 465     ARG A    53                                                      
REMARK 465     LYS A    54                                                      
REMARK 465     GLU A    74                                                      
REMARK 465     LYS A   200                                                      
REMARK 465     ARG A   201                                                      
REMARK 465     ALA A   379                                                      
REMARK 465     GLU A   380                                                      
REMARK 465     LEU A   381                                                      
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   NH2  ARG A    57     OE1  GLU A   331     3565     2.14            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ASN A  66       53.58   -111.54                                   
REMARK 500    HIS A  68       70.15     60.56                                   
REMARK 500    SER A 250      -14.40    -42.94                                   
REMARK 500    SER A 330       -5.12    -55.43                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3AGW   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 2E4F   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3AT8   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3ATA   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3ATB   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3ATD   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3ATE   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3ATF   RELATED DB: PDB                                   
DBREF  3AT9 A   53    74  UNP    Q0VB45   Q0VB45_MOUSE    53     74             
DBREF  3AT9 A  200   381  UNP    Q0VB45   Q0VB45_MOUSE   200    381             
SEQADV 3AT9 GLY A   49  UNP  Q0VB45              EXPRESSION TAG                 
SEQADV 3AT9 SER A   50  UNP  Q0VB45              EXPRESSION TAG                 
SEQADV 3AT9 HIS A   51  UNP  Q0VB45              EXPRESSION TAG                 
SEQADV 3AT9 MET A   52  UNP  Q0VB45              EXPRESSION TAG                 
SEQRES   1 A  208  GLY SER HIS MET ARG LYS ILE GLN ARG TYR VAL ARG LYS          
SEQRES   2 A  208  ASP GLY LYS CYS ASN VAL HIS HIS GLY ASN VAL ARG GLU          
SEQRES   3 A  208  LYS ARG ALA GLU THR LEU VAL PHE SER THR HIS ALA VAL          
SEQRES   4 A  208  ILE SER MET ARG ASP GLY LYS LEU CYS LEU MET PHE ARG          
SEQRES   5 A  208  VAL GLY ASP LEU ARG ASN SER HIS ILE VAL GLU ALA SER          
SEQRES   6 A  208  ILE ARG ALA LYS LEU ILE LYS SER LYS GLN THR SER GLU          
SEQRES   7 A  208  GLY GLU PHE ILE PRO LEU ASN GLN THR ASP ILE ASN VAL          
SEQRES   8 A  208  GLY TYR TYR THR GLY ASP ASP ARG LEU PHE LEU VAL SER          
SEQRES   9 A  208  PRO LEU ILE ILE SER HIS GLU ILE ASN GLN GLN SER PRO          
SEQRES  10 A  208  PHE TRP GLU ILE SER LYS ALA GLN LEU PRO LYS GLU GLU          
SEQRES  11 A  208  LEU GLU ILE VAL VAL ILE LEU GLU GLY MET VAL GLU ALA          
SEQRES  12 A  208  THR GLY MET THR CYS GLN ALA ARG SER SER TYR ILE THR          
SEQRES  13 A  208  SER GLU ILE LEU TRP GLY TYR ARG PHE THR PRO VAL LEU          
SEQRES  14 A  208  THR LEU GLU ASP GLY PHE TYR GLU VAL ASP TYR ASN SER          
SEQRES  15 A  208  PHE HIS GLU THR TYR GLU THR SER THR PRO SER LEU SER          
SEQRES  16 A  208  ALA LYS GLU LEU ALA GLU LEU ALA ASN ARG ALA GLU LEU          
HET     MG  A   1       1                                                       
HETNAM      MG MAGNESIUM ION                                                    
FORMUL   2   MG    MG 2+                                                        
HELIX    1   1 GLN A  298  GLU A  302  5                                   5    
HELIX    2   2 ASN A  354  HIS A  357  5                                   4    
HELIX    3   3 SER A  368  ASN A  377  1                                  10    
SHEET    1   A 4 LEU A 279  GLU A 284  0                                        
SHEET    2   A 4 LYS A 219  VAL A 226 -1  N  LEU A 222   O  HIS A 283           
SHEET    3   A 4 ALA A 211  ARG A 216 -1  N  ARG A 216   O  LYS A 219           
SHEET    4   A 4 ILE A 332  TRP A 334  1  O  LEU A 333   N  ALA A 211           
SHEET    1   B 4 PHE A 254  ILE A 262  0                                        
SHEET    2   B 4 ILE A 234  GLN A 248 -1  N  LYS A 247   O  ILE A 255           
SHEET    3   B 4 GLU A 305  VAL A 314 -1  O  GLU A 305   N  ILE A 244           
SHEET    4   B 4 THR A 320  ILE A 328 -1  O  TYR A 327   N  ILE A 306           
SHEET    1   C 2 TYR A 336  PHE A 338  0                                        
SHEET    2   C 2 THR A 359  GLU A 361 -1  O  TYR A 360   N  ARG A 337           
SHEET    1   D 2 LEU A 342  GLU A 345  0                                        
SHEET    2   D 2 PHE A 348  VAL A 351 -1  O  PHE A 348   N  GLU A 345           
CRYST1   81.691   81.691  172.429  90.00  90.00  90.00 I 4 2 2      16          
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      0.012241  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.012241  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.005799        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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