PDB entry 2c62

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HEADER    TRANSCRIPTION/DNA                       07-NOV-05   2C62              
TITLE     CRYSTAL STRUCTURE OF THE HUMAN TRANSCRIPTION COFACTOR PC4             
TITLE    2 IN COMPLEX WITH SINGLE-STRANDED DNA                                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: 5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP                        
COMPND   3 *TP*TP*TP*TP*TP*TP*TP*TP*TP*G)-3';                                   
COMPND   4 CHAIN: C;                                                            
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MOL_ID: 2;                                                           
COMPND   7 MOLECULE: ACTIVATED RNA POLYMERASE II TRANSCRIPTIONAL                
COMPND   8 COACTIVATOR P15;                                                     
COMPND   9 CHAIN: A, B;                                                         
COMPND  10 FRAGMENT: C-TERMINAL SSDNA-BINDING DOMAIN, RESIDUES 62-126;          
COMPND  11 SYNONYM: PC4, POSITIVE COFACTOR 4, P14;                              
COMPND  12 ENGINEERED: YES;                                                     
COMPND  13 OTHER_DETAILS: N-TERMINAL ALA RESIDUE RESULTS FROM VECTOR            
COMPND  14 SEQUENCE                                                             
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 MOL_ID: 2;                                                           
SOURCE   4 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   5 ORGANISM_COMMON: HUMAN;                                              
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
SOURCE   9 EXPRESSION_SYSTEM_VARIANT: DE3;                                      
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET-11A                                   
KEYWDS    TRANSCRIPTION COFACTOR, SINGLE-STRANDED DNA, PROTEIN-DNA              
KEYWDS   2 COMPLEX, DNA UNWINDING, ACTIVATOR, DNA-BINDING, NUCLEAR              
KEYWDS   3 PROTEIN, PHOSPHORYLATION, TRANSCRIPTION, TRANSCRIPTION               
KEYWDS   4 REGULATION                                                           
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    S.WERTEN,D.MORAS                                                      
REVDAT   2   20-DEC-06 2C62    1       JRNL                                     
REVDAT   1   11-JAN-06 2C62    0                                                
JRNL        AUTH   S.WERTEN,D.MORAS                                             
JRNL        TITL   A GLOBAL TRANSCRIPTION COFACTOR BOUND TO                     
JRNL        TITL 2 JUXTAPOSED STRANDS OF UNWOUND DNA.                           
JRNL        REF    NAT.STRUCT.MOL.BIOL.          V.  13   181 2006              
JRNL        REFN                US ISSN 1545-9993                               
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. 1.74 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 : MAXIMUM LIKELIHOOD                              
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.74                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 19.97                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : NULL                           
REMARK   3   NUMBER OF REFLECTIONS             : 30178                          
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) : 0.229                           
REMARK   3   FREE R VALUE                     : 0.240                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.900                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1489                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.006                           
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 10                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 1.74                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.80                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 80.70                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3100                       
REMARK   3   BIN FREE R VALUE                    : 0.3670                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 5.10                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : NULL                         
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.032                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1090                                    
REMARK   3   NUCLEIC ACID ATOMS       : 323                                     
REMARK   3   HETEROGEN ATOMS          : 10                                      
REMARK   3   SOLVENT ATOMS            : 176                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 29.90                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 42.10                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -0.30000                                             
REMARK   3    B22 (A**2) : -0.30000                                             
REMARK   3    B33 (A**2) : 0.59000                                              
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 COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.26                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.22                            
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) : 0.29                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.28                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.005                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.30                            
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 23.70                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 0.91                            
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) : 1.340 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 2.090 ; 2.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 2.170 ; 2.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 3.340 ; 2.500                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.36                                                 
REMARK   3   BSOL        : 52.43                                                
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  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : ION.TOP                                        
REMARK   3  TOPOLOGY FILE  2   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2C62 COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006                         
REMARK   4                                                                      
REMARK   4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY.                    
REMARK   4 REMEDIATED DATA FILE REVISION 3.102 (2007-05-31)                     
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY EBI  .                              
REMARK 100 THE EBI ID CODE IS  EBI-26269 .                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 20-JUN-2003                        
REMARK 200  TEMPERATURE           (KELVIN) : 100.0                              
REMARK 200  PH                             : 6.75                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ESRF                               
REMARK 200  BEAMLINE                       : ID14-4                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97930                            
REMARK 200  MONOCHROMATOR                  : DOUBLE CRYSTAL MONOCHROMATOR       
REMARK 200  OPTICS                         : TOROIDAL FOCUSING MIRROR           
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC                               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 31658                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.740                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 20.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : 6.300                              
REMARK 200  R MERGE                    (I) : 0.04000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200   FOR THE DATA SET  : 21.3000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.74                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.80                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.80                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.30000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200   FOR SHELL         : 5.430                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: EPMR                                                  
REMARK 200 STARTING MODEL: PDB ENTRY 1PCF, CHAINS A AND B                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 62.77                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.33                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M ADA PH 6.75, 1.9 M AMMONIUM        
REMARK 280  SULFATE                                                             
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,1/2+Z                                             
REMARK 290       3555   1/2-Y,1/2+X,1/4+Z                                       
REMARK 290       4555   1/2+Y,1/2-X,3/4+Z                                       
REMARK 290       5555   1/2-X,1/2+Y,1/4-Z                                       
REMARK 290       6555   1/2+X,1/2-Y,3/4-Z                                       
REMARK 290       7555   Y,X,-Z                                                  
REMARK 290       8555   -Y,-X,1/2-Z                                             
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       65.94950            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000       33.62100            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       33.62100            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       32.97475            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       33.62100            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       33.62100            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       98.92425            
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       33.62100            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       33.62100            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       32.97475            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       33.62100            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       33.62100            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       98.92425            
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       65.94950            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT             
REMARK 300 WHICH CONSISTS OF 3 CHAIN(S). SEE REMARK 350 FOR                     
REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S).                
REMARK 350                                                                      
REMARK 350 GENERATING THE BIOMOLECULE                                           
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 APPLY THE FOLLOWING TO CHAINS: C, A, B, X, Y, Z                      
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      DT C     1                                                      
REMARK 465      DT C     2                                                      
REMARK 465      DT C     3                                                      
REMARK 465      DT C     4                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),F6.3)                  
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991                                
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    MET B  69   SD    MET B  69   CE    -0.034                        
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991                                
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    VAL A  72   N   -  CA  -  C   ANGL. DEV. =-13.3 DEGREES           
REMARK 500    ILE A  83   N   -  CA  -  C   ANGL. DEV. =-10.0 DEGREES           
REMARK 500    ILE A  85   N   -  CA  -  C   ANGL. DEV. =-10.1 DEGREES           
REMARK 500    VAL B  72   N   -  CA  -  C   ANGL. DEV. =-12.5 DEGREES           
REMARK 500    ASP B  76   N   -  CA  -  C   ANGL. DEV. = -8.3 DEGREES           
REMARK 500    ILE B  83   N   -  CA  -  C   ANGL. DEV. = -7.9 DEGREES           
REMARK 500    ILE B  85   N   -  CA  -  C   ANGL. DEV. =-12.8 DEGREES           
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 SITE_DESCRIPTION: SO4 BINDING SITE FOR CHAIN A                       
DBREF  2C62 A   62    62  PDB    2C62     2C62            62     62             
DBREF  2C62 A   63   127  UNP    P53999   TCP4_HUMAN      62    126             
DBREF  2C62 B   62    62  PDB    2C62     2C62            62     62             
DBREF  2C62 B   63   127  UNP    P53999   TCP4_HUMAN      62    126             
DBREF  2C62 C    1    20  PDB    2C62     2C62             1     20             
SEQRES   1 C   20   DT  DT  DT  DT  DT  DT  DT  DT  DT  DT  DT  DT  DT          
SEQRES   2 C   20   DT  DT  DT  DT  DT  DT  DG                                  
SEQRES   1 A   66  ALA MET PHE GLN ILE GLY LYS MET ARG TYR VAL SER VAL          
SEQRES   2 A   66  ARG ASP PHE LYS GLY LYS VAL LEU ILE ASP ILE ARG GLU          
SEQRES   3 A   66  TYR TRP MET ASP PRO GLU GLY GLU MET LYS PRO GLY ARG          
SEQRES   4 A   66  LYS GLY ILE SER LEU ASN PRO GLU GLN TRP SER GLN LEU          
SEQRES   5 A   66  LYS GLU GLN ILE SER ASP ILE ASP ASP ALA VAL ARG LYS          
SEQRES   6 A   66  LEU                                                          
SEQRES   1 B   66  ALA MET PHE GLN ILE GLY LYS MET ARG TYR VAL SER VAL          
SEQRES   2 B   66  ARG ASP PHE LYS GLY LYS VAL LEU ILE ASP ILE ARG GLU          
SEQRES   3 B   66  TYR TRP MET ASP PRO GLU GLY GLU MET LYS PRO GLY ARG          
SEQRES   4 B   66  LYS GLY ILE SER LEU ASN PRO GLU GLN TRP SER GLN LEU          
SEQRES   5 B   66  LYS GLU GLN ILE SER ASP ILE ASP ASP ALA VAL ARG LYS          
SEQRES   6 B   66  LEU                                                          
HET    SO4  A1128       5                                                       
HET    SO4  C1021       5                                                       
HETNAM     SO4 SULFATE ION                                                      
FORMUL   4  SO4    2(O4 S 2-)                                                   
FORMUL   6  HOH   *176(H2 O)                                                    
HELIX    1   1 ASN A  106  GLN A  116  1                                  11    
HELIX    2   2 GLN A  116  LYS A  126  1                                  11    
HELIX    3   3 ASN B  106  GLN B  116  1                                  11    
HELIX    4   4 GLN B  116  LEU B  127  1                                  12    
SHEET    1  AA 4 MET A  63  GLY A  67  0                                        
SHEET    2  AA 4 ARG A  70  PHE A  77 -1  O  ARG A  70   N  ILE A  66           
SHEET    3  AA 4 LYS A  80  MET A  90 -1  O  LYS A  80   N  PHE A  77           
SHEET    4  AA 4 MET A  96  LEU A 105 -1  O  LYS A  97   N  TRP A  89           
SHEET    1  BA 4 MET B  63  GLY B  67  0                                        
SHEET    2  BA 4 ARG B  70  PHE B  77 -1  O  ARG B  70   N  ILE B  66           
SHEET    3  BA 4 LYS B  80  MET B  90 -1  O  LYS B  80   N  PHE B  77           
SHEET    4  BA 4 MET B  96  LEU B 105 -1  O  LYS B  97   N  TRP B  89           
SITE     1 AC1  2  DG C  20  HOH X  47                                          
SITE     1 AC2  2 ALA A  62  HOH Z  55                                          
CRYST1   67.242   67.242  131.899  90.00  90.00  90.00 P 41 21 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      0.014872  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.014872  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.007582        0.00000