GenomeNet

Database: PDB
Entry: 5M33
LinkDB: 5M33
Original site: 5M33 
HEADER    CELL ADHESION                           14-OCT-16   5M33              
TITLE     STRUCTURAL TUNING OF CD81LEL (SPACE GROUP P21)                        
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CD81 ANTIGEN;                                              
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 SYNONYM: 26 KDA CELL SURFACE PROTEIN TAPA-1,TARGET OF THE            
COMPND   5 ANTIPROLIFERATIVE ANTIBODY 1,TETRASPANIN-28,TSPAN-28;                
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: CD81, TAPA1, TSPAN28;                                          
SOURCE   6 EXPRESSION_SYSTEM: HOMO SAPIENS;                                     
SOURCE   7 EXPRESSION_SYSTEM_COMMON: HUMAN;                                     
SOURCE   8 EXPRESSION_SYSTEM_TAXID: 9606;                                       
SOURCE   9 EXPRESSION_SYSTEM_CELL_LINE: HEK293T;                                
SOURCE  10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  11 EXPRESSION_SYSTEM_PLASMID: PHLSEC                                    
KEYWDS    HUMAN CELLULAR RECEPTOR FOR HEPATITIS C VIRUS, SIGNALING PROTEIN,     
KEYWDS   2 CELL ADHESION                                                        
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    E.S.CUNHA,P.SFRISO,A.L.ROJAS,P.ROVERSI,A.HOSPITAL,M.OROZCO,           
AUTHOR   2 N.G.ABRESCIA                                                         
REVDAT   3   13-DEC-17 5M33    1       AUTHOR JRNL                              
REVDAT   2   18-JAN-17 5M33    1       JRNL                                     
REVDAT   1   14-DEC-16 5M33    0                                                
JRNL        AUTH   E.S.CUNHA,P.SFRISO,A.L.ROJAS,P.ROVERSI,A.HOSPITAL,M.OROZCO,  
JRNL        AUTH 2 N.G.ABRESCIA                                                 
JRNL        TITL   MECHANISM OF STRUCTURAL TUNING OF THE HEPATITIS C VIRUS      
JRNL        TITL 2 HUMAN CELLULAR RECEPTOR CD81 LARGE EXTRACELLULAR LOOP.       
JRNL        REF    STRUCTURE                     V.  25    53 2017              
JRNL        REFN                   ISSN 1878-4186                               
JRNL        PMID   27916518                                                     
JRNL        DOI    10.1016/J.STR.2016.11.003                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.28 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.9_1692                                      
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.28                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 26.00                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.400                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 88.3                           
REMARK   3   NUMBER OF REFLECTIONS             : 38175                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.138                           
REMARK   3   R VALUE            (WORKING SET) : 0.136                           
REMARK   3   FREE R VALUE                     : 0.173                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.010                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1911                            
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 26.0026 -  3.0799    0.98     2921   157  0.1419 0.1831        
REMARK   3     2  3.0799 -  2.4452    0.98     2901   153  0.1455 0.1635        
REMARK   3     3  2.4452 -  2.1363    0.99     2938   150  0.1272 0.1582        
REMARK   3     4  2.1363 -  1.9410    0.99     2910   148  0.1314 0.1848        
REMARK   3     5  1.9410 -  1.8019    0.99     2897   150  0.1366 0.1651        
REMARK   3     6  1.8019 -  1.6957    0.99     2916   162  0.1260 0.1514        
REMARK   3     7  1.6957 -  1.6108    0.99     2884   155  0.1184 0.1623        
REMARK   3     8  1.6108 -  1.5407    0.99     2887   139  0.1167 0.1705        
REMARK   3     9  1.5407 -  1.4814    0.99     2930   143  0.1202 0.1748        
REMARK   3    10  1.4814 -  1.4303    0.96     2774   150  0.1273 0.1683        
REMARK   3    11  1.4303 -  1.3855    0.84     2454   144  0.1399 0.1773        
REMARK   3    12  1.3855 -  1.3459    0.70     2045   117  0.1460 0.1770        
REMARK   3    13  1.3459 -  1.3105    0.55     1612    87  0.1661 0.2240        
REMARK   3    14  1.3105 -  1.2785    0.40     1195    56  0.2017 0.2619        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : NULL                                          
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.110            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 20.020           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 16.10                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
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      :  0.010           1484                                  
REMARK   3   ANGLE     :  1.180           2001                                  
REMARK   3   CHIRALITY :  0.070            237                                  
REMARK   3   PLANARITY :  0.006            263                                  
REMARK   3   DIHEDRAL  : 13.727            553                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
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 5M33 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 14-OCT-16.                  
REMARK 100 THE DEPOSITION ID IS D_1200001796.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 23-NOV-12                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 5.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ESRF                               
REMARK 200  BEAMLINE                       : ID23-1                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.972499                           
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS 6M                 
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 38224                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.280                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 26.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 88.6                               
REMARK 200  DATA REDUNDANCY                : 5.200                              
REMARK 200  R MERGE                    (I) : 0.06200                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 21.6000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.28                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.30                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 40.9                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.80                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.38000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 3.400                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: 1G8Q                                                 
REMARK 200                                                                      
REMARK 200 REMARK: EXCELLENT DIFFRACTOR - RODLIKE SHAPE                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 34.40                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.87                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN: 10 MG/ML BUFFER: 0.1 M MIB PH   
REMARK 280  5.0, 25% W/V PEG 1500 GROWN IN PRESENCE OF SYNTHETIC CLAUDIN-I      
REMARK 280  LONG-EXTRACELLULAR-LOOP (CLDN1-EL1) - BUT NOT VISIBLE IN            
REMARK 280  ELECTRON DENSITY. CRYO-PROTECTANT: 25% GLYCEROL + PEPTIDE, VAPOR    
REMARK 280  DIFFUSION, SITTING DROP, TEMPERATURE 294.15K                        
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
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                                                                      
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       37.92300            
REMARK 290   SMTRY3   2  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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 3160 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 9540 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -4.0 KCAL/MOL                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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   202                                                      
REMARK 465     THR A   203                                                      
REMARK 465     LYS A   204                                                      
REMARK 465     HIS A   205                                                      
REMARK 465     HIS A   206                                                      
REMARK 465     HIS A   207                                                      
REMARK 465     HIS A   208                                                      
REMARK 465     HIS A   209                                                      
REMARK 465     HIS A   210                                                      
REMARK 465     GLU B   110                                                      
REMARK 465     THR B   111                                                      
REMARK 465     ASP B   137                                                      
REMARK 465     ASP B   138                                                      
REMARK 465     ASP B   139                                                      
REMARK 465     ALA B   140                                                      
REMARK 465     GLY B   202                                                      
REMARK 465     THR B   203                                                      
REMARK 465     LYS B   204                                                      
REMARK 465     HIS B   205                                                      
REMARK 465     HIS B   206                                                      
REMARK 465     HIS B   207                                                      
REMARK 465     HIS B   208                                                      
REMARK 465     HIS B   209                                                      
REMARK 465     HIS B   210                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O    PHE A   113     HO1  EDO A   301              1.57            
REMARK 500   O    HOH A   420     O    HOH A   491              2.13            
REMARK 500   O    HOH A   401     O    HOH A   417              2.15            
REMARK 500   OG1  THR A   167     O    HOH A   401              2.15            
REMARK 500   OE2  GLU B   188     O    HOH B   401              2.19            
REMARK 500   O    HOH A   407     O    HOH A   417              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    CYS B 157       41.30   -151.35                                   
REMARK 500    PRO B 176      173.58    -57.58                                   
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 EDO A 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 302                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 303                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 304                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue EDO B 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue EDO B 302                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue EDO B 303                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1G8Q   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 5M2C   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 5M3D   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 5M4R   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 5M3T   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 1IV5   RELATED DB: PDB                                   
DBREF  5M33 A  113   201  UNP    P60033   CD81_HUMAN     113    201             
DBREF  5M33 B  113   201  UNP    P60033   CD81_HUMAN     113    201             
SEQADV 5M33 GLU A  110  UNP  P60033              CLONING ARTIFACT               
SEQADV 5M33 THR A  111  UNP  P60033              CLONING ARTIFACT               
SEQADV 5M33 GLY A  112  UNP  P60033              CLONING ARTIFACT               
SEQADV 5M33 GLY A  202  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M33 THR A  203  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M33 LYS A  204  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M33 HIS A  205  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M33 HIS A  206  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M33 HIS A  207  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M33 HIS A  208  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M33 HIS A  209  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M33 HIS A  210  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M33 GLU B  110  UNP  P60033              CLONING ARTIFACT               
SEQADV 5M33 THR B  111  UNP  P60033              CLONING ARTIFACT               
SEQADV 5M33 GLY B  112  UNP  P60033              CLONING ARTIFACT               
SEQADV 5M33 GLY B  202  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M33 THR B  203  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M33 LYS B  204  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M33 HIS B  205  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M33 HIS B  206  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M33 HIS B  207  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M33 HIS B  208  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M33 HIS B  209  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M33 HIS B  210  UNP  P60033              EXPRESSION TAG                 
SEQRES   1 A  101  GLU THR GLY PHE VAL ASN LYS ASP GLN ILE ALA LYS ASP          
SEQRES   2 A  101  VAL LYS GLN PHE TYR ASP GLN ALA LEU GLN GLN ALA VAL          
SEQRES   3 A  101  VAL ASP ASP ASP ALA ASN ASN ALA LYS ALA VAL VAL LYS          
SEQRES   4 A  101  THR PHE HIS GLU THR LEU ASP CYS CYS GLY SER SER THR          
SEQRES   5 A  101  LEU THR ALA LEU THR THR SER VAL LEU LYS ASN ASN LEU          
SEQRES   6 A  101  CYS PRO SER GLY SER ASN ILE ILE SER ASN LEU PHE LYS          
SEQRES   7 A  101  GLU ASP CYS HIS GLN LYS ILE ASP ASP LEU PHE SER GLY          
SEQRES   8 A  101  LYS GLY THR LYS HIS HIS HIS HIS HIS HIS                      
SEQRES   1 B  101  GLU THR GLY PHE VAL ASN LYS ASP GLN ILE ALA LYS ASP          
SEQRES   2 B  101  VAL LYS GLN PHE TYR ASP GLN ALA LEU GLN GLN ALA VAL          
SEQRES   3 B  101  VAL ASP ASP ASP ALA ASN ASN ALA LYS ALA VAL VAL LYS          
SEQRES   4 B  101  THR PHE HIS GLU THR LEU ASP CYS CYS GLY SER SER THR          
SEQRES   5 B  101  LEU THR ALA LEU THR THR SER VAL LEU LYS ASN ASN LEU          
SEQRES   6 B  101  CYS PRO SER GLY SER ASN ILE ILE SER ASN LEU PHE LYS          
SEQRES   7 B  101  GLU ASP CYS HIS GLN LYS ILE ASP ASP LEU PHE SER GLY          
SEQRES   8 B  101  LYS GLY THR LYS HIS HIS HIS HIS HIS HIS                      
HET    EDO  A 301      10                                                       
HET    EDO  A 302      10                                                       
HET    EDO  A 303      10                                                       
HET    EDO  A 304      10                                                       
HET    EDO  B 301      10                                                       
HET    EDO  B 302      10                                                       
HET    EDO  B 303      10                                                       
HETNAM     EDO 1,2-ETHANEDIOL                                                   
HETSYN     EDO ETHYLENE GLYCOL                                                  
FORMUL   3  EDO    7(C2 H6 O2)                                                  
FORMUL  10  HOH   *194(H2 O)                                                    
HELIX    1 AA1 ASN A  115  ASP A  137  1                                  23    
HELIX    2 AA2 ALA A  140  ASP A  155  1                                  16    
HELIX    3 AA3 LEU A  162  ALA A  164  5                                   3    
HELIX    4 AA4 LEU A  165  ASN A  172  1                                   8    
HELIX    5 AA5 ASN A  180  PHE A  186  1                                   7    
HELIX    6 AA6 ASP A  189  GLY A  200  1                                  12    
HELIX    7 AA7 ASN B  115  VAL B  136  1                                  22    
HELIX    8 AA8 ASN B  142  ASP B  155  1                                  14    
HELIX    9 AA9 LEU B  162  ASN B  172  1                                  11    
HELIX   10 AB1 GLY B  178  ASN B  184  1                                   7    
HELIX   11 AB2 ASP B  189  GLY B  200  1                                  12    
SSBOND   1 CYS A  156    CYS A  190                          1555   1555  2.04  
SSBOND   2 CYS A  157    CYS A  175                          1555   1555  2.04  
SSBOND   3 CYS B  156    CYS B  190                          1555   1555  2.07  
SSBOND   4 CYS B  157    CYS B  175                          1555   1555  2.02  
SITE     1 AC1 10 PHE A 113  VAL A 114  ASN A 115  LEU A 170                    
SITE     2 AC1 10 ASN A 173  CYS A 175  PRO A 176  SER A 177                    
SITE     3 AC1 10 SER A 179  HOH A 411                                          
SITE     1 AC2  5 GLU A 110  ALA A 145  THR A 149  HOH A 487                    
SITE     2 AC2  5 GLY B 200                                                     
SITE     1 AC3  6 GLN A 133  SER A 183  PHE A 186  LYS A 187                    
SITE     2 AC3  6 HOH A 435  HOH B 483                                          
SITE     1 AC4  5 GLY A 200  LYS A 201  LYS B 121  ASN B 142                    
SITE     2 AC4  5 ALA B 145                                                     
SITE     1 AC5  9 THR A 111  GLY A 112  PHE A 113  VAL A 114                    
SITE     2 AC5  9 SER A 177  GLN B 125  PHE B 126  GLN B 129                    
SITE     3 AC5  9 HOH B 438                                                     
SITE     1 AC6  5 THR A 111  HOH A 467  GLN B 125  HOH B 417                    
SITE     2 AC6  5 HOH B 446                                                     
SITE     1 AC7  4 ASP B 117  GLU B 152  HOH B 443  HOH B 456                    
CRYST1   31.445   75.846   37.363  90.00 107.12  90.00 P 1 21 1      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      0.031802  0.000000  0.009793        0.00000                         
SCALE2      0.000000  0.013185  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.028005        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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