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Database: PDB
Entry: 3Q9Q
LinkDB: 3Q9Q
Original site: 3Q9Q 
HEADER    CHAPERONE                               09-JAN-11   3Q9Q              
TITLE     HSPB1 FRAGMENT SECOND CRYSTAL FORM                                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: HEAT SHOCK PROTEIN BETA-1;                                 
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: RESIDUES 90-171;                                           
COMPND   5 SYNONYM: HSPB1, 28 KDA HEAT SHOCK PROTEIN, ESTROGEN-REGULATED 24 KDA 
COMPND   6 PROTEIN, HEAT SHOCK 27 KDA PROTEIN, HSP 27, STRESS-RESPONSIVE PROTEIN
COMPND   7 27, SRP27;                                                           
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: HSPB1;                                                         
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PPEP-TEV                                  
KEYWDS    ALPHA-CRYSTALLIN DOMAIN, CHAPERONE, CHARCOT-MARIE-TOOTH DISEASE,      
KEYWDS   2 NEURONOPATHY, IG-LIKE FOLD, STRESS RESPONSE, INTRA-CELLULAR          
KEYWDS   3 CHAPERONES, NUCLEUS                                                  
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    E.V.BARANOVA,S.BEELEN,N.B.GUSEV,S.V.STRELKOV                          
REVDAT   1   06-JUL-11 3Q9Q    0                                                
JRNL        AUTH   E.V.BARANOVA,S.D.WEEKS,S.BEELEN,O.V.BUKACH,N.B.GUSEV,        
JRNL        AUTH 2 S.V.STRELKOV                                                 
JRNL        TITL   THREE-DIMENSIONAL STRUCTURE OF ALPHA-CRYSTALLIN DOMAIN       
JRNL        TITL 2 DIMERS OF HUMAN SMALL HEAT SHOCK PROTEINS HSPB1 AND HSPB6    
JRNL        REF    J.MOL.BIOL.                                2011              
JRNL        REFN                   ESSN 1089-8638                               
JRNL        PMID   21641913                                                     
JRNL        DOI    10.1016/J.JMB.2011.05.024                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.20 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE)                               
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN             
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-                     
REMARK   3               : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO,              
REMARK   3               : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL            
REMARK   3               : MORIARTY,REETAL PAI,RANDY READ,JANE                  
REMARK   3               : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM             
REMARK   3               : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH,             
REMARK   3               : LAURENT STORONI,TOM TERWILLIGER,PETER                
REMARK   3               : ZWART                                                
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 39.99                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.350                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 10572                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.283                           
REMARK   3   R VALUE            (WORKING SET) : 0.281                           
REMARK   3   FREE R VALUE                     : 0.312                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 7.480                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 791                             
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 39.9969 -  3.9968    1.00     1781   145  0.2735 0.3150        
REMARK   3     2  3.9968 -  3.1728    1.00     1656   123  0.2658 0.2561        
REMARK   3     3  3.1728 -  2.7718    1.00     1603   129  0.2863 0.3364        
REMARK   3     4  2.7718 -  2.5184    1.00     1597   130  0.2959 0.3744        
REMARK   3     5  2.5184 -  2.3379    1.00     1587   130  0.2939 0.3096        
REMARK   3     6  2.3379 -  2.2001    1.00     1557   134  0.3101 0.3469        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : 0.38                                          
REMARK   3   B_SOL              : 71.60                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.020            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 29.710           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 66.60                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -0.55610                                             
REMARK   3    B22 (A**2) : -0.55610                                             
REMARK   3    B33 (A**2) : 1.11220                                              
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  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.005           1184                                  
REMARK   3   ANGLE     :  1.018           1618                                  
REMARK   3   CHIRALITY :  0.081            189                                  
REMARK   3   PLANARITY :  0.006            207                                  
REMARK   3   DIHEDRAL  : 17.612            437                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 2                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: chain A                                                
REMARK   3    ORIGIN FOR THE GROUP (A):  22.5701   6.6768  14.7839              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1980 T22:   0.2220                                     
REMARK   3      T33:   0.2284 T12:  -0.0589                                     
REMARK   3      T13:  -0.0184 T23:   0.0379                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8172 L22:   1.4929                                     
REMARK   3      L33:   1.4639 L12:  -1.0723                                     
REMARK   3      L13:   0.0844 L23:   0.0940                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0513 S12:   0.0700 S13:  -0.0145                       
REMARK   3      S21:  -0.0255 S22:  -0.0499 S23:   0.0585                       
REMARK   3      S31:  -0.0713 S32:  -0.0139 S33:   0.0921                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: chain B                                                
REMARK   3    ORIGIN FOR THE GROUP (A):  11.5577  19.9057  44.7233              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1362 T22:   0.4138                                     
REMARK   3      T33:   0.3904 T12:  -0.3424                                     
REMARK   3      T13:  -0.0314 T23:  -0.0677                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7200 L22:  -0.3140                                     
REMARK   3      L33:   3.4008 L12:  -2.3865                                     
REMARK   3      L13:   1.0370 L23:  -0.8235                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4724 S12:   0.1459 S13:  -0.4618                       
REMARK   3      S21:  -0.4661 S22:  -0.3891 S23:  -0.0265                       
REMARK   3      S31:  -1.2831 S32:   0.7991 S33:  -0.1256                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : 1                                           
REMARK   3   NCS GROUP : 1                                                      
REMARK   3    NCS OPERATOR : 1                                                  
REMARK   3     REFERENCE SELECTION: chain A and (resseq 94:114 or resseq 116:   
REMARK   3                          126 or resseq 133:170 )                     
REMARK   3     SELECTION          : chain B and (resseq 94:114 or resseq 116:   
REMARK   3                          126 or resseq 133:170 )                     
REMARK   3     ATOM PAIRS NUMBER  : 529                                         
REMARK   3     RMSD               : 0.049                                       
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 3Q9Q COMPLIES WITH FORMAT V. 3.20, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 26-JAN-11.                  
REMARK 100 THE RCSB ID CODE IS RCSB063371.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 29-FEB-08                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 5.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SLS                                
REMARK 200  BEAMLINE                       : X06SA                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9999                             
REMARK 200  MONOCHROMATOR                  : SI(111) MONOCHROMATOR              
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : PSI PILATUS 6M                     
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 10572                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.200                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 43.900                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : 9.400                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.07200                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 15.7000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.30                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 90.0                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 9.50                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : 0.76000                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 4.000                              
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: 3Q9P                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 52.39                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.58                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 2.2M AMMONIUM SULFATE, 0.2M DI-          
REMARK 280  AMMONIUM TARTRATE, PH 5.5, VAPOR DIFFUSION, HANGING DROP,           
REMARK 280  TEMPERATURE 277K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 6 2 2                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z                                                
REMARK 290       3555   -X+Y,-X,Z                                               
REMARK 290       4555   -X,-Y,Z                                                 
REMARK 290       5555   Y,-X+Y,Z                                                
REMARK 290       6555   X-Y,X,Z                                                 
REMARK 290       7555   Y,X,-Z                                                  
REMARK 290       8555   X-Y,-Y,-Z                                               
REMARK 290       9555   -X,-X+Y,-Z                                              
REMARK 290      10555   -Y,-X,-Z                                                
REMARK 290      11555   -X+Y,Y,-Z                                               
REMARK 290      12555   X,X-Y,-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 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4 -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        0.00000            
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        0.00000            
REMARK 290   SMTRY1   6  0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   7 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   7  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   9 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   9 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   9  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  10  0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  10 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3  10  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  11 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  11  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  11  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  12  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  12  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3  12  0.000000  0.000000 -1.000000        0.00000            
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 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    87                                                      
REMARK 465     GLY A    88                                                      
REMARK 465     GLN A   128                                                      
REMARK 465     ASP A   129                                                      
REMARK 465     GLU A   130                                                      
REMARK 465     HIS A   131                                                      
REMARK 465     GLY A   132                                                      
REMARK 465     LYS A   171                                                      
REMARK 465     GLY B    87                                                      
REMARK 465     GLY B    88                                                      
REMARK 465     SER B    89                                                      
REMARK 465     HIS B    90                                                      
REMARK 465     THR B    91                                                      
REMARK 465     ALA B    92                                                      
REMARK 465     ASP B    93                                                      
REMARK 465     ARG B   127                                                      
REMARK 465     GLN B   128                                                      
REMARK 465     ASP B   129                                                      
REMARK 465     GLU B   130                                                      
REMARK 465     HIS B   131                                                      
REMARK 465     GLY B   132                                                      
REMARK 465     LYS B   171                                                      
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  90       49.45   -107.90                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3Q9P   RELATED DB: PDB                                   
DBREF  3Q9Q A   90   171  UNP    P04792   HSPB1_HUMAN     90    171             
DBREF  3Q9Q B   90   171  UNP    P04792   HSPB1_HUMAN     90    171             
SEQADV 3Q9Q GLY A   87  UNP  P04792              EXPRESSION TAG                 
SEQADV 3Q9Q GLY A   88  UNP  P04792              EXPRESSION TAG                 
SEQADV 3Q9Q SER A   89  UNP  P04792              EXPRESSION TAG                 
SEQADV 3Q9Q ALA A  125  UNP  P04792    GLU   125 ENGINEERED MUTATION            
SEQADV 3Q9Q ALA A  126  UNP  P04792    GLU   126 ENGINEERED MUTATION            
SEQADV 3Q9Q GLY B   87  UNP  P04792              EXPRESSION TAG                 
SEQADV 3Q9Q GLY B   88  UNP  P04792              EXPRESSION TAG                 
SEQADV 3Q9Q SER B   89  UNP  P04792              EXPRESSION TAG                 
SEQADV 3Q9Q ALA B  125  UNP  P04792    GLU   125 ENGINEERED MUTATION            
SEQADV 3Q9Q ALA B  126  UNP  P04792    GLU   126 ENGINEERED MUTATION            
SEQRES   1 A   85  GLY GLY SER HIS THR ALA ASP ARG TRP ARG VAL SER LEU          
SEQRES   2 A   85  ASP VAL ASN HIS PHE ALA PRO ASP GLU LEU THR VAL LYS          
SEQRES   3 A   85  THR LYS ASP GLY VAL VAL GLU ILE THR GLY LYS HIS ALA          
SEQRES   4 A   85  ALA ARG GLN ASP GLU HIS GLY TYR ILE SER ARG CYS PHE          
SEQRES   5 A   85  THR ARG LYS TYR THR LEU PRO PRO GLY VAL ASP PRO THR          
SEQRES   6 A   85  GLN VAL SER SER SER LEU SER PRO GLU GLY THR LEU THR          
SEQRES   7 A   85  VAL GLU ALA PRO MET PRO LYS                                  
SEQRES   1 B   85  GLY GLY SER HIS THR ALA ASP ARG TRP ARG VAL SER LEU          
SEQRES   2 B   85  ASP VAL ASN HIS PHE ALA PRO ASP GLU LEU THR VAL LYS          
SEQRES   3 B   85  THR LYS ASP GLY VAL VAL GLU ILE THR GLY LYS HIS ALA          
SEQRES   4 B   85  ALA ARG GLN ASP GLU HIS GLY TYR ILE SER ARG CYS PHE          
SEQRES   5 B   85  THR ARG LYS TYR THR LEU PRO PRO GLY VAL ASP PRO THR          
SEQRES   6 B   85  GLN VAL SER SER SER LEU SER PRO GLU GLY THR LEU THR          
SEQRES   7 B   85  VAL GLU ALA PRO MET PRO LYS                                  
FORMUL   3  HOH   *58(H2 O)                                                     
HELIX    1   1 ASP A  149  VAL A  153  5                                   5    
HELIX    2   2 ASP B  149  VAL B  153  5                                   5    
SHEET    1   A 3 ARG A  94  ASP A 100  0                                        
SHEET    2   A 3 THR A 162  PRO A 168 -1  O  ALA A 167   N  TRP A  95           
SHEET    3   A 3 SER A 154  LEU A 157 -1  N  SER A 156   O  THR A 164           
SHEET    1   B 3 GLU A 108  LYS A 114  0                                        
SHEET    2   B 3 VAL A 117  HIS A 124 -1  O  GLU A 119   N  LYS A 112           
SHEET    3   B 3 ARG A 136  THR A 143 -1  O  ARG A 140   N  ILE A 120           
SHEET    1   C 3 TRP B  95  ASP B 100  0                                        
SHEET    2   C 3 THR B 162  ALA B 167 -1  O  ALA B 167   N  TRP B  95           
SHEET    3   C 3 SER B 154  LEU B 157 -1  N  SER B 156   O  THR B 164           
SHEET    1   D 3 GLU B 108  LYS B 114  0                                        
SHEET    2   D 3 VAL B 117  HIS B 124 -1  O  GLU B 119   N  LYS B 112           
SHEET    3   D 3 ARG B 136  THR B 143 -1  O  ARG B 140   N  ILE B 120           
CISPEP   1 ASP B  115    GLY B  116          0        -3.86                     
CRYST1   74.455   74.455  119.971  90.00  90.00 120.00 P 6 2 2      24          
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      0.013431  0.007754  0.000000        0.00000                         
SCALE2      0.000000  0.015509  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.008335        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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