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Database: PDB
Entry: 4EQ8
LinkDB: 4EQ8
Original site: 4EQ8 
HEADER    UNKNOWN FUNCTION                        18-APR-12   4EQ8              
TITLE     CRYSTAL STRUCTURE OF PA1844 FROM PSEUDOMONAS AERUGINOSA PAO1          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN;                          
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: PA1844 PROTEIN;                                             
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA;                         
SOURCE   3 ORGANISM_TAXID: 208964;                                              
SOURCE   4 STRAIN: PAO1;                                                        
SOURCE   5 GENE: PA1844;                                                        
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET21B                                    
KEYWDS    EFFECTOR PROTEIN, TYPE VI SECRETION, T6S, TOXIN, UNKNOWN FUNCTION     
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    G.SHANG,N.LI,J.ZHANG,D.LU,Q.YU,Y.ZHAO,X.LIU,S.XU,L.GU                 
REVDAT   2   24-JUL-13 4EQ8    1       JRNL                                     
REVDAT   1   12-SEP-12 4EQ8    0                                                
JRNL        AUTH   G.SHANG,X.LIU,D.LU,J.ZHANG,N.LI,C.ZHU,S.LIU,Q.YU,Y.ZHAO,     
JRNL        AUTH 2 H.ZHANG,J.HU,H.CANG,S.XU,L.GU                                
JRNL        TITL   STRUCTURAL INSIGHT INTO HOW PSEUDOMONAS AERUGINOSA           
JRNL        TITL 2 PEPTIDOGLYCANHYDROLASE TSE1 AND ITS IMMUNITY PROTEIN TSI1    
JRNL        TITL 3 FUNCTION.                                                    
JRNL        REF    BIOCHEM.J.                    V. 448   201 2012              
JRNL        REFN                   ISSN 0264-6021                               
JRNL        PMID   22931054                                                     
JRNL        DOI    10.1042/BJ20120668                                           
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.39 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.6.4_486)                    
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 : MLHL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.39                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 31.72                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.180                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.2                           
REMARK   3   NUMBER OF REFLECTIONS             : 29080                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.162                           
REMARK   3   R VALUE            (WORKING SET) : 0.161                           
REMARK   3   FREE R VALUE                     : 0.174                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 6.900                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2007                            
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 31.7287 -  3.3532    1.00     2137   158  0.1690 0.1601        
REMARK   3     2  3.3532 -  2.6620    1.00     2020   148  0.1616 0.1798        
REMARK   3     3  2.6620 -  2.3256    0.99     2003   154  0.1698 0.1786        
REMARK   3     4  2.3256 -  2.1130    0.99     1991   142  0.1530 0.1772        
REMARK   3     5  2.1130 -  1.9616    0.99     1935   150  0.1523 0.1651        
REMARK   3     6  1.9616 -  1.8460    0.98     1955   141  0.1528 0.1830        
REMARK   3     7  1.8460 -  1.7535    0.98     1950   143  0.1486 0.1641        
REMARK   3     8  1.7535 -  1.6772    0.97     1915   147  0.1447 0.1674        
REMARK   3     9  1.6772 -  1.6126    0.97     1874   143  0.1452 0.1839        
REMARK   3    10  1.6126 -  1.5570    0.96     1903   131  0.1492 0.1820        
REMARK   3    11  1.5570 -  1.5083    0.95     1894   137  0.1501 0.1732        
REMARK   3    12  1.5083 -  1.4652    0.95     1841   137  0.1659 0.1948        
REMARK   3    13  1.4652 -  1.4266    0.95     1822   137  0.1900 0.1883        
REMARK   3    14  1.4266 -  1.3918    0.93     1833   139  0.2095 0.2163        
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              : 0.37                                          
REMARK   3   B_SOL              : 40.04                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.130            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 14.390           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 12.20                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 2.82550                                              
REMARK   3    B22 (A**2) : -0.39370                                             
REMARK   3    B33 (A**2) : -2.43180                                             
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      :  0.006           1305                                  
REMARK   3   ANGLE     :  0.994           1777                                  
REMARK   3   CHIRALITY :  0.064            188                                  
REMARK   3   PLANARITY :  0.004            232                                  
REMARK   3   DIHEDRAL  : 11.942            494                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: ALL                                                    
REMARK   3    ORIGIN FOR THE GROUP (A):  24.2092  30.4898  31.4178              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0321 T22:   0.0331                                     
REMARK   3      T33:   0.0440 T12:   0.0004                                     
REMARK   3      T13:   0.0074 T23:   0.0014                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9441 L22:   0.9951                                     
REMARK   3      L33:   1.9637 L12:   0.0685                                     
REMARK   3      L13:   0.1679 L23:   0.3082                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0362 S12:  -0.0002 S13:   0.0272                       
REMARK   3      S21:  -0.0106 S22:   0.0181 S23:   0.0190                       
REMARK   3      S31:  -0.1016 S32:  -0.0379 S33:   0.0151                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4EQ8 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 29-APR-12.                  
REMARK 100 THE RCSB ID CODE IS RCSB071936.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 14-OCT-11                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 8.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRF                               
REMARK 200  BEAMLINE                       : BL17U                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9792                             
REMARK 200  MONOCHROMATOR                  : SAGITALLY FOCUSED SI(111)          
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 29529                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.390                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.4                               
REMARK 200  DATA REDUNDANCY                : 14.200                             
REMARK 200  R MERGE                    (I) : 0.10800                            
REMARK 200  R SYM                      (I) : 0.10800                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 31.7000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.39                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.44                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 95.6                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 12.90                              
REMARK 200  R MERGE FOR SHELL          (I) : 0.58400                            
REMARK 200  R SYM FOR SHELL            (I) : 0.58400                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 5.400                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD                          
REMARK 200 SOFTWARE USED: SOLVE                                                 
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 39.98                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.05                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 20% PEG 3350, 0.1 TRIS PH 8.5, VAPOR     
REMARK 280  DIFFUSION, HANGING DROP, TEMPERATURE 293K                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+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       18.56500            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       32.04900            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       30.51400            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       32.04900            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       18.56500            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       30.51400            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MSE A     1                                                      
REMARK 465     HIS A   160                                                      
REMARK 465     HIS A   161                                                      
REMARK 465     HIS A   162                                                      
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    LYS A 104      -34.66   -141.75                                   
REMARK 500    GLN A 121       52.13   -100.21                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 501                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 502                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4EQA   RELATED DB: PDB                                   
DBREF  4EQ8 A    1   154  UNP    Q9I2Q1   Q9I2Q1_PSEAE     1    154             
SEQADV 4EQ8 LEU A  155  UNP  Q9I2Q1              EXPRESSION TAG                 
SEQADV 4EQ8 GLU A  156  UNP  Q9I2Q1              EXPRESSION TAG                 
SEQADV 4EQ8 HIS A  157  UNP  Q9I2Q1              EXPRESSION TAG                 
SEQADV 4EQ8 HIS A  158  UNP  Q9I2Q1              EXPRESSION TAG                 
SEQADV 4EQ8 HIS A  159  UNP  Q9I2Q1              EXPRESSION TAG                 
SEQADV 4EQ8 HIS A  160  UNP  Q9I2Q1              EXPRESSION TAG                 
SEQADV 4EQ8 HIS A  161  UNP  Q9I2Q1              EXPRESSION TAG                 
SEQADV 4EQ8 HIS A  162  UNP  Q9I2Q1              EXPRESSION TAG                 
SEQRES   1 A  162  MSE ASP SER LEU ASP GLN CYS ILE VAL ASN ALA CYS LYS          
SEQRES   2 A  162  ASN SER TRP ASP LYS SER TYR LEU ALA GLY THR PRO ASN          
SEQRES   3 A  162  LYS ASP ASN CYS SER GLY PHE VAL GLN SER VAL ALA ALA          
SEQRES   4 A  162  GLU LEU GLY VAL PRO MSE PRO ARG GLY ASN ALA ASN ALA          
SEQRES   5 A  162  MSE VAL ASP GLY LEU GLU GLN SER TRP THR LYS LEU ALA          
SEQRES   6 A  162  SER GLY ALA GLU ALA ALA GLN LYS ALA ALA GLN GLY PHE          
SEQRES   7 A  162  LEU VAL ILE ALA GLY LEU LYS GLY ARG THR TYR GLY HIS          
SEQRES   8 A  162  VAL ALA VAL VAL ILE SER GLY PRO LEU TYR ARG GLN LYS          
SEQRES   9 A  162  TYR PRO MSE CYS TRP CYS GLY SER ILE ALA GLY ALA VAL          
SEQRES  10 A  162  GLY GLN SER GLN GLY LEU LYS SER VAL GLY GLN VAL TRP          
SEQRES  11 A  162  ASN ARG THR ASP ARG ASP ARG LEU ASN TYR TYR VAL TYR          
SEQRES  12 A  162  SER LEU ALA SER CYS SER LEU PRO ARG ALA SER LEU GLU          
SEQRES  13 A  162  HIS HIS HIS HIS HIS HIS                                      
MODRES 4EQ8 MSE A   45  MET  SELENOMETHIONINE                                   
MODRES 4EQ8 MSE A   53  MET  SELENOMETHIONINE                                   
MODRES 4EQ8 MSE A  107  MET  SELENOMETHIONINE                                   
HET    MSE  A  45      13                                                       
HET    MSE  A  53       8                                                       
HET    MSE  A 107       8                                                       
HET    GOL  A 501       6                                                       
HET    GOL  A 502       6                                                       
HETNAM     MSE SELENOMETHIONINE                                                 
HETNAM     GOL GLYCEROL                                                         
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   1  MSE    3(C5 H11 N O2 SE)                                            
FORMUL   2  GOL    2(C3 H8 O3)                                                  
FORMUL   4  HOH   *203(H2 O)                                                    
HELIX    1   1 ASP A    5  TRP A   16  1                                  12    
HELIX    2   2 PRO A   25  ASP A   28  5                                   4    
HELIX    3   3 ASN A   29  GLY A   42  1                                  14    
HELIX    4   4 ASN A   49  TRP A   61  1                                  13    
HELIX    5   5 SER A   66  GLN A   76  1                                  11    
HELIX    6   6 LEU A  100  LYS A  104  5                                   5    
HELIX    7   7 GLY A  115  GLN A  119  5                                   5    
HELIX    8   8 VAL A  126  TRP A  130  1                                   5    
SHEET    1   A 6 THR A  62  LEU A  64  0                                        
SHEET    2   A 6 ASN A 139  VAL A 142 -1  O  TYR A 140   N  LEU A  64           
SHEET    3   A 6 VAL A  80  LEU A  84 -1  N  ILE A  81   O  TYR A 141           
SHEET    4   A 6 HIS A  91  VAL A  95 -1  O  VAL A  95   N  VAL A  80           
SHEET    5   A 6 MSE A 107  CYS A 110 -1  O  TRP A 109   N  VAL A  94           
SHEET    6   A 6 SER A 120  SER A 125 -1  O  SER A 120   N  CYS A 110           
SSBOND   1 CYS A    7    CYS A  148                          1555   1555  2.05  
LINK         C   PRO A  44                 N   MSE A  45     1555   1555  1.33  
LINK         C   MSE A  45                 N   PRO A  46     1555   1555  1.34  
LINK         C   ALA A  52                 N   MSE A  53     1555   1555  1.33  
LINK         C   MSE A  53                 N   VAL A  54     1555   1555  1.33  
LINK         C   PRO A 106                 N   MSE A 107     1555   1555  1.33  
LINK         C   MSE A 107                 N   CYS A 108     1555   1555  1.33  
SITE     1 AC1  9 LEU A  41  VAL A  43  LYS A 124  GLN A 128                    
SITE     2 AC1  9 SER A 147  HOH A 671  HOH A 772  HOH A 773                    
SITE     3 AC1  9 HOH A 796                                                     
SITE     1 AC2  8 SER A  60  TRP A  61  THR A  62  VAL A 142                    
SITE     2 AC2  8 TYR A 143  SER A 144  HIS A 157  HIS A 158                    
CRYST1   37.130   61.028   64.098  90.00  90.00  90.00 P 21 21 21    4          
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      0.026932  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.016386  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.015601        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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