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Database: PDB
Entry: 5J0G
LinkDB: 5J0G
Original site: 5J0G 
HEADER    OXIDOREDUCTASE                          28-MAR-16   5J0G              
TITLE     MONOMERIC HUMAN CU,ZN SUPEROXIDE DISMUTASE, LOOPS IV AND VII DELETED, 
TITLE    2 APO FORM, CIRCULAR PERMUTANT P7/8                                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: OXIDOREDUCTASE,SUPEROXIDE DISMUTASE [CU-ZN];               
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 SYNONYM: SUPEROXIDE DISMUTASE 1,HSOD1;                               
COMPND   5 EC: 1.15.1.1;                                                        
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN, HUMAN;                                       
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: SOD1;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI K-12;                            
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 83333                                       
KEYWDS    SOD1, OXIDOREDUCTASE                                                  
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    H.WANG,L.LANG,D.LOGAN,J.DANIELSSON,M.OLIVEBERG                        
REVDAT   2   17-JAN-18 5J0G    1       REMARK                                   
REVDAT   1   01-FEB-17 5J0G    0                                                
JRNL        AUTH   H.WANG,L.LANG,D.T.LOGAN,J.DANIELSSON,M.OLIVEBERG             
JRNL        TITL   TRICKING A PROTEIN TO SWAP STRANDS.                          
JRNL        REF    J. AM. CHEM. SOC.             V. 138 15571 2016              
JRNL        REFN                   ESSN 1520-5126                               
JRNL        PMID   27783493                                                     
JRNL        DOI    10.1021/JACS.6B05151                                         
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.50 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.7.0032                                      
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 37.10                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 100.0                          
REMARK   3   NUMBER OF REFLECTIONS             : 6195                           
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) : 0.184                           
REMARK   3   R VALUE            (WORKING SET) : 0.182                           
REMARK   3   FREE R VALUE                     : 0.235                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.700                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 304                             
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) : 2.50                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.57                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 449                          
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 100.0                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2790                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 28                           
REMARK   3   BIN FREE R VALUE                    : 0.4610                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1576                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 24                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 48.96                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -0.67000                                             
REMARK   3    B22 (A**2) : -0.67000                                             
REMARK   3    B33 (A**2) : 2.19000                                              
REMARK   3    B12 (A**2) : -0.67000                                             
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): 0.304         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.244         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 25.382        
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.952                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.936                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  1596 ; 0.004 ; 0.019       
REMARK   3   BOND LENGTHS OTHERS               (A):  1564 ; 0.001 ; 0.020       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  2156 ; 0.881 ; 1.945       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  3598 ; 0.598 ; 3.000       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   224 ; 5.026 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):    56 ;36.035 ;25.714       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   252 ;14.184 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):     4 ; 4.581 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   250 ; 0.057 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  1876 ; 0.002 ; 0.020       
REMARK   3   GENERAL PLANES OTHERS             (A):   332 ; 0.001 ; 0.020       
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):   902 ; 2.899 ; 3.791       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):   901 ; 2.897 ; 3.785       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  1124 ; 3.800 ; 5.656       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
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):  3160 ; 1.271 ; 3.000       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):    16 ;28.881 ; 5.000       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  3148 ;19.775 ; 5.000       
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  : 2                                          
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A     1        A   113                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.0764  26.6978   0.0766              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1269 T22:   0.1258                                     
REMARK   3      T33:   0.1404 T12:  -0.0085                                     
REMARK   3      T13:  -0.0200 T23:   0.0158                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0865 L22:   0.0091                                     
REMARK   3      L33:   0.0869 L12:   0.0223                                     
REMARK   3      L13:  -0.0660 L23:  -0.0087                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0290 S12:   0.0141 S13:   0.0349                       
REMARK   3      S21:  -0.0108 S22:   0.0037 S23:   0.0294                       
REMARK   3      S31:  -0.0107 S32:   0.0249 S33:   0.0254                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B     1        B   113                          
REMARK   3    ORIGIN FOR THE GROUP (A):   1.2257  26.9943  22.4106              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1243 T22:   0.1224                                     
REMARK   3      T33:   0.1334 T12:   0.0081                                     
REMARK   3      T13:  -0.0034 T23:  -0.0128                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3850 L22:   0.0220                                     
REMARK   3      L33:   0.0592 L12:  -0.0890                                     
REMARK   3      L13:   0.1495 L23:  -0.0347                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0441 S12:  -0.0426 S13:   0.0909                       
REMARK   3      S21:   0.0051 S22:   0.0132 S23:  -0.0324                       
REMARK   3      S31:  -0.0064 S32:  -0.0183 S33:   0.0309                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : NULL                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.20                                          
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 : WITH TLS ADDED                                 
REMARK   4                                                                      
REMARK   4 5J0G COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 29-MAR-16.                  
REMARK 100 THE DEPOSITION ID IS D_1000219766.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 11-SEP-14                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : MAX II                             
REMARK 200  BEAMLINE                       : I911-3                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1                                  
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : IMOSFLM                            
REMARK 200  DATA SCALING SOFTWARE          : AIMLESS                            
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 6519                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.500                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 37.100                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY                : 7.500                              
REMARK 200  R MERGE                    (I) : 0.09700                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 14.1000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.50                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.61                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.66100                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: MOLREP                                                
REMARK 200 STARTING MODEL: 4BCZ                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 41.61                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.11                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M DI-AMMONIUM HYDROGEN CITRATE, 20   
REMARK 280  % W/V PEG 3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65                             
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+2/3                                            
REMARK 290       3555   -X+Y,-X,Z+1/3                                           
REMARK 290       4555   -X,-Y,Z+1/2                                             
REMARK 290       5555   Y,-X+Y,Z+1/6                                            
REMARK 290       6555   X-Y,X,Z+5/6                                             
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       39.61333            
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       19.80667            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       29.71000            
REMARK 290   SMTRY1   5  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   5 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000        9.90333            
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       49.51667            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
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 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 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    HIS A  98       44.08   -107.92                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  5J0G A    1    14  PDB    5J0G     5J0G             1     14             
DBREF  5J0G A   19   111  UNP    P00441   SODC_HUMAN       2    124             
DBREF  5J0G B    1    14  PDB    5J0G     5J0G             1     14             
DBREF  5J0G B   19   111  UNP    P00441   SODC_HUMAN       2    124             
SEQADV 5J0G ALA A   15  PDB                      LINKER                         
SEQADV 5J0G GLY A   16  PDB                      LINKER                         
SEQADV 5J0G ALA A   17  PDB                      LINKER                         
SEQADV 5J0G GLY A   18  PDB                      LINKER                         
SEQADV 5J0G ALA A   24  UNP  P00441    CYS     7 CONFLICT                       
SEQADV 5J0G GLY A   67  UNP  P00441    GLU    50 CONFLICT                       
SEQADV 5J0G ALA A   68  UNP  P00441    PHE    51 CONFLICT                       
SEQADV 5J0G     A       UNP  P00441    ASP    53 DELETION                       
SEQADV 5J0G     A       UNP  P00441    ASN    54 DELETION                       
SEQADV 5J0G     A       UNP  P00441    THR    55 DELETION                       
SEQADV 5J0G     A       UNP  P00441    ALA    56 DELETION                       
SEQADV 5J0G     A       UNP  P00441    GLY    57 DELETION                       
SEQADV 5J0G     A       UNP  P00441    CYS    58 DELETION                       
SEQADV 5J0G     A       UNP  P00441    THR    59 DELETION                       
SEQADV 5J0G     A       UNP  P00441    SER    60 DELETION                       
SEQADV 5J0G     A       UNP  P00441    ALA    61 DELETION                       
SEQADV 5J0G     A       UNP  P00441    GLY    62 DELETION                       
SEQADV 5J0G     A       UNP  P00441    PRO    63 DELETION                       
SEQADV 5J0G     A       UNP  P00441    HIS    64 DELETION                       
SEQADV 5J0G     A       UNP  P00441    PHE    65 DELETION                       
SEQADV 5J0G     A       UNP  P00441    ASN    66 DELETION                       
SEQADV 5J0G     A       UNP  P00441    PRO    67 DELETION                       
SEQADV 5J0G     A       UNP  P00441    LEU    68 DELETION                       
SEQADV 5J0G     A       UNP  P00441    SER    69 DELETION                       
SEQADV 5J0G     A       UNP  P00441    ARG    70 DELETION                       
SEQADV 5J0G     A       UNP  P00441    LYS    71 DELETION                       
SEQADV 5J0G     A       UNP  P00441    HIS    72 DELETION                       
SEQADV 5J0G     A       UNP  P00441    GLY    73 DELETION                       
SEQADV 5J0G     A       UNP  P00441    GLY    74 DELETION                       
SEQADV 5J0G     A       UNP  P00441    PRO    75 DELETION                       
SEQADV 5J0G     A       UNP  P00441    LYS    76 DELETION                       
SEQADV 5J0G     A       UNP  P00441    ASP    77 DELETION                       
SEQADV 5J0G     A       UNP  P00441    GLU    78 DELETION                       
SEQADV 5J0G     A       UNP  P00441    GLU    79 DELETION                       
SEQADV 5J0G     A       UNP  P00441    ARG    80 DELETION                       
SEQADV 5J0G     A       UNP  P00441    HIS    81 DELETION                       
SEQADV 5J0G     A       UNP  P00441    VAL    82 DELETION                       
SEQADV 5J0G SER A   99  UNP  P00441    CYS   112 CONFLICT                       
SEQADV 5J0G GLY A  112  UNP  P00441              EXPRESSION TAG                 
SEQADV 5J0G ALA A  113  UNP  P00441              EXPRESSION TAG                 
SEQADV 5J0G ALA B   15  PDB                      LINKER                         
SEQADV 5J0G GLY B   16  PDB                      LINKER                         
SEQADV 5J0G ALA B   17  PDB                      LINKER                         
SEQADV 5J0G GLY B   18  PDB                      LINKER                         
SEQADV 5J0G ALA B   24  UNP  P00441    CYS     7 CONFLICT                       
SEQADV 5J0G GLY B   67  UNP  P00441    GLU    50 CONFLICT                       
SEQADV 5J0G ALA B   68  UNP  P00441    PHE    51 CONFLICT                       
SEQADV 5J0G     B       UNP  P00441    ASP    53 DELETION                       
SEQADV 5J0G     B       UNP  P00441    ASN    54 DELETION                       
SEQADV 5J0G     B       UNP  P00441    THR    55 DELETION                       
SEQADV 5J0G     B       UNP  P00441    ALA    56 DELETION                       
SEQADV 5J0G     B       UNP  P00441    GLY    57 DELETION                       
SEQADV 5J0G     B       UNP  P00441    CYS    58 DELETION                       
SEQADV 5J0G     B       UNP  P00441    THR    59 DELETION                       
SEQADV 5J0G     B       UNP  P00441    SER    60 DELETION                       
SEQADV 5J0G     B       UNP  P00441    ALA    61 DELETION                       
SEQADV 5J0G     B       UNP  P00441    GLY    62 DELETION                       
SEQADV 5J0G     B       UNP  P00441    PRO    63 DELETION                       
SEQADV 5J0G     B       UNP  P00441    HIS    64 DELETION                       
SEQADV 5J0G     B       UNP  P00441    PHE    65 DELETION                       
SEQADV 5J0G     B       UNP  P00441    ASN    66 DELETION                       
SEQADV 5J0G     B       UNP  P00441    PRO    67 DELETION                       
SEQADV 5J0G     B       UNP  P00441    LEU    68 DELETION                       
SEQADV 5J0G     B       UNP  P00441    SER    69 DELETION                       
SEQADV 5J0G     B       UNP  P00441    ARG    70 DELETION                       
SEQADV 5J0G     B       UNP  P00441    LYS    71 DELETION                       
SEQADV 5J0G     B       UNP  P00441    HIS    72 DELETION                       
SEQADV 5J0G     B       UNP  P00441    GLY    73 DELETION                       
SEQADV 5J0G     B       UNP  P00441    GLY    74 DELETION                       
SEQADV 5J0G     B       UNP  P00441    PRO    75 DELETION                       
SEQADV 5J0G     B       UNP  P00441    LYS    76 DELETION                       
SEQADV 5J0G     B       UNP  P00441    ASP    77 DELETION                       
SEQADV 5J0G     B       UNP  P00441    GLU    78 DELETION                       
SEQADV 5J0G     B       UNP  P00441    GLU    79 DELETION                       
SEQADV 5J0G     B       UNP  P00441    ARG    80 DELETION                       
SEQADV 5J0G     B       UNP  P00441    HIS    81 DELETION                       
SEQADV 5J0G     B       UNP  P00441    VAL    82 DELETION                       
SEQADV 5J0G SER B   99  UNP  P00441    CYS   112 CONFLICT                       
SEQADV 5J0G GLY B  112  UNP  P00441              EXPRESSION TAG                 
SEQADV 5J0G ALA B  113  UNP  P00441              EXPRESSION TAG                 
SEQRES   1 A  113  ALA GLY SER ARG LEU ALA SER GLY VAL ILE GLY ILE ALA          
SEQRES   2 A  113  GLN ALA GLY ALA GLY ALA THR LYS ALA VAL ALA VAL LEU          
SEQRES   3 A  113  LYS GLY ASP GLY PRO VAL GLN GLY ILE ILE ASN PHE GLU          
SEQRES   4 A  113  GLN LYS GLU SER ASN GLY PRO VAL LYS VAL TRP GLY SER          
SEQRES   5 A  113  ILE LYS GLY LEU THR GLU GLY LEU HIS GLY PHE HIS VAL          
SEQRES   6 A  113  HIS GLY ALA GLY GLY ASP LEU GLY ASN VAL THR ALA ASP          
SEQRES   7 A  113  LYS ASP GLY VAL ALA ASP VAL SER ILE GLU ASP SER VAL          
SEQRES   8 A  113  ILE SER LEU SER GLY ASP HIS SER ILE ILE GLY ARG THR          
SEQRES   9 A  113  LEU VAL VAL HIS GLU LYS ALA GLY ALA                          
SEQRES   1 B  113  ALA GLY SER ARG LEU ALA SER GLY VAL ILE GLY ILE ALA          
SEQRES   2 B  113  GLN ALA GLY ALA GLY ALA THR LYS ALA VAL ALA VAL LEU          
SEQRES   3 B  113  LYS GLY ASP GLY PRO VAL GLN GLY ILE ILE ASN PHE GLU          
SEQRES   4 B  113  GLN LYS GLU SER ASN GLY PRO VAL LYS VAL TRP GLY SER          
SEQRES   5 B  113  ILE LYS GLY LEU THR GLU GLY LEU HIS GLY PHE HIS VAL          
SEQRES   6 B  113  HIS GLY ALA GLY GLY ASP LEU GLY ASN VAL THR ALA ASP          
SEQRES   7 B  113  LYS ASP GLY VAL ALA ASP VAL SER ILE GLU ASP SER VAL          
SEQRES   8 B  113  ILE SER LEU SER GLY ASP HIS SER ILE ILE GLY ARG THR          
SEQRES   9 B  113  LEU VAL VAL HIS GLU LYS ALA GLY ALA                          
FORMUL   3  HOH   *24(H2 O)                                                     
SHEET    1 AA1 8 ASP A  71  ALA A  77  0                                        
SHEET    2 AA1 8 GLY A  59  VAL A  65 -1  N  GLY A  59   O  ALA A  77           
SHEET    3 AA1 8 THR A 104  HIS A 108 -1  O  HIS A 108   N  GLY A  62           
SHEET    4 AA1 8 LEU A   5  ALA A  15 -1  N  GLY A   8   O  LEU A 105           
SHEET    5 AA1 8 THR A  20  LYS A  27 -1  O  VAL A  23   N  GLY A  11           
SHEET    6 AA1 8 GLN A  33  GLN A  40 -1  O  GLN A  40   N  THR A  20           
SHEET    7 AA1 8 VAL A  47  LYS A  54 -1  O  TRP A  50   N  ASN A  37           
SHEET    8 AA1 8 ALA A  83  ASP A  89 -1  O  ILE A  87   N  VAL A  49           
SHEET    1 AA2 8 ASP B  71  ALA B  77  0                                        
SHEET    2 AA2 8 GLY B  59  VAL B  65 -1  N  GLY B  59   O  ALA B  77           
SHEET    3 AA2 8 THR B 104  HIS B 108 -1  O  VAL B 106   N  HIS B  64           
SHEET    4 AA2 8 LEU B   5  GLN B  14 -1  N  GLY B   8   O  LEU B 105           
SHEET    5 AA2 8 THR B  20  LYS B  27 -1  O  LYS B  21   N  ALA B  13           
SHEET    6 AA2 8 GLN B  33  GLN B  40 -1  O  PHE B  38   N  ALA B  22           
SHEET    7 AA2 8 VAL B  47  LYS B  54 -1  O  LYS B  48   N  GLU B  39           
SHEET    8 AA2 8 ALA B  83  ASP B  89 -1  O  ILE B  87   N  VAL B  49           
CISPEP   1 GLY A  112    ALA A  113          0        -0.02                     
CISPEP   2 GLY B   45    PRO B   46          0         0.70                     
CRYST1   74.140   74.140   59.420  90.00  90.00 120.00 P 65         12          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.013488  0.007787  0.000000        0.00000                         
SCALE2      0.000000  0.015575  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.016829        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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