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Database: PDB
Entry: 5M3T
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HEADER    IMMUNE SYSTEM                           17-OCT-16   5M3T              
TITLE     STRUCTURAL TUNING OF CD81LEL (SPACE GROUP P64)                        
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CD81 ANTIGEN;                                              
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: LEL DOMAIN, UNP RESIDUES 112-201;                          
COMPND   5 SYNONYM: 26 KDA CELL SURFACE PROTEIN TAPA-1,TARGET OF THE            
COMPND   6 ANTIPROLIFERATIVE ANTIBODY 1,TETRASPANIN-28,TSPAN-28;                
COMPND   7 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_VECTOR: PHLSEC                                     
KEYWDS    HUMAN CELLULAR RECEPTOR FOR HEPATITIS C VIRUS, IMMUNE SYSTEM          
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 5M3T    1       AUTHOR JRNL                              
REVDAT   2   18-JAN-17 5M3T    1       JRNL                                     
REVDAT   1   14-DEC-16 5M3T    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   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   K.KITADOKORO,D.BORDO,G.GALLI,R.PETRACCA,F.FALUGI,            
REMARK   1  AUTH 2 S.ABRIGNANI,G.GRANDI,M.BOLOGNESI                             
REMARK   1  TITL   CD81 EXTRACELLULAR DOMAIN 3D STRUCTURE: INSIGHT INTO THE     
REMARK   1  TITL 2 TETRASPANIN SUPERFAMILY STRUCTURAL MOTIFS.                   
REMARK   1  REF    EMBO J.                       V.  20    12 2001              
REMARK   1  REFN                   ISSN 0261-4189                               
REMARK   1  PMID   11226150                                                     
REMARK   1 REFERENCE 2                                                          
REMARK   1  AUTH   K.KITADOKORO,M.PONASSI,G.GALLI,R.PETRACCA,F.FALUGI,G.GRANDI, 
REMARK   1  AUTH 2 M.BOLOGNESI                                                  
REMARK   1  TITL   SUBUNIT ASSOCIATION AND CONFORMATIONAL FLEXIBILITY IN THE    
REMARK   1  TITL 2 HEAD SUBDOMAIN OF HUMAN CD81 LARGE EXTRACELLULAR LOOP.       
REMARK   1  REF    BIOL. CHEM.                   V. 383  1447 2002              
REMARK   1  REFN                   ISSN 1431-6730                               
REMARK   1  PMID   12437138                                                     
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.02 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) : 2.02                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 50.65                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.120                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 88.7                           
REMARK   3   NUMBER OF REFLECTIONS             : 12489                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.174                           
REMARK   3   R VALUE            (WORKING SET) : 0.172                           
REMARK   3   FREE R VALUE                     : 0.208                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.810                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 601                             
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 50.6659 -  3.2074    0.99     3416   166  0.1529 0.1836        
REMARK   3     2  3.2074 -  2.5458    1.00     3316   170  0.2088 0.2593        
REMARK   3     3  2.5458 -  2.2240    0.92     3060   154  0.1946 0.2242        
REMARK   3     4  2.2240 -  2.0207    0.63     2096   111  0.2139 0.2798        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : NULL                                          
REMARK   3   SOLVENT RADIUS     : 1.10                                          
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)     : 0.190            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 26.760           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
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      :  0.006           1421                                  
REMARK   3   ANGLE     :  0.828           1900                                  
REMARK   3   CHIRALITY :  0.032            225                                  
REMARK   3   PLANARITY :  0.003            247                                  
REMARK   3   DIHEDRAL  : 10.575            513                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 4                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND ((RESID 114 : 155) OR (RESID 191:202))   
REMARK   3    ORIGIN FOR THE GROUP (A): -35.9169  15.8326  -1.5404              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5107 T22:   0.2677                                     
REMARK   3      T33:   0.3023 T12:  -0.1015                                     
REMARK   3      T13:   0.0138 T23:   0.0346                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.4680 L22:   9.5039                                     
REMARK   3      L33:   6.7163 L12:   1.9936                                     
REMARK   3      L13:  -1.1525 L23:  -1.5442                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4485 S12:  -0.4986 S13:  -0.2435                       
REMARK   3      S21:   0.7549 S22:  -0.4254 S23:   0.1369                       
REMARK   3      S31:   0.0286 S32:   0.0840 S33:   0.0102                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 156:190)                          
REMARK   3    ORIGIN FOR THE GROUP (A): -42.5755   8.9726 -10.1825              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6933 T22:   0.4928                                     
REMARK   3      T33:   0.5444 T12:   0.0330                                     
REMARK   3      T13:  -0.0617 T23:   0.0390                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9083 L22:   2.6973                                     
REMARK   3      L33:   2.3288 L12:   0.5366                                     
REMARK   3      L13:  -0.4194 L23:   1.2283                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2588 S12:   0.3654 S13:  -0.1137                       
REMARK   3      S21:  -0.8923 S22:  -0.0962 S23:   0.4644                       
REMARK   3      S31:  -0.1536 S32:  -0.5668 S33:  -0.0004                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'B' AND ((RESID 112:155) OR (RESID 191:202))     
REMARK   3    ORIGIN FOR THE GROUP (A): -25.7463  25.6715  -4.4068              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5635 T22:   0.3671                                     
REMARK   3      T33:   0.3492 T12:  -0.1841                                     
REMARK   3      T13:  -0.0479 T23:   0.0175                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.5305 L22:   9.0393                                     
REMARK   3      L33:   5.0225 L12:   0.9228                                     
REMARK   3      L13:  -1.1007 L23:  -1.3917                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5351 S12:  -0.4734 S13:   0.0341                       
REMARK   3      S21:   1.0472 S22:  -0.6462 S23:  -0.4717                       
REMARK   3      S31:  -0.0118 S32:   0.4361 S33:   0.0072                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 156:190)                          
REMARK   3    ORIGIN FOR THE GROUP (A): -25.7400  35.2324 -14.8029              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4898 T22:   0.3855                                     
REMARK   3      T33:   0.4628 T12:  -0.0825                                     
REMARK   3      T13:   0.0498 T23:  -0.0203                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4875 L22:   2.4043                                     
REMARK   3      L33:   1.8575 L12:   0.3339                                     
REMARK   3      L13:  -1.1107 L23:  -1.8357                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1362 S12:   0.3870 S13:   0.0876                       
REMARK   3      S21:  -0.0994 S22:  -0.1592 S23:   0.4673                       
REMARK   3      S31:   0.0468 S32:  -0.2260 S33:   0.0006                       
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 5M3T COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 17-OCT-16.                  
REMARK 100 THE DEPOSITION ID IS D_1200001814.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 10-DEC-13                          
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               : DIAMOND                            
REMARK 200  BEAMLINE                       : I02                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97949                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS 6M-F               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XIA2                               
REMARK 200  DATA SCALING SOFTWARE          : XSCALE                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 12501                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.020                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.650                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 88.3                               
REMARK 200  DATA REDUNDANCY                : 4.600                              
REMARK 200  R MERGE                    (I) : 0.03000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 29.1000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.02                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.07                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 53.4                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 1.90                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.39600                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.300                              
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: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 54.14                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.68                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN: 10 MG/ML BUFFER: 0.1 MMT PH     
REMARK 280  5, 25% W/V PEG 1500 GROWN IN PRESENCE OF FEXOFENADINE ALTHOUGH      
REMARK 280  NOT VISIBLE IN THE ELECTRON DENSITY MAP, PH 5.0, VAPOR DIFFUSION,   
REMARK 280  SITTING DROP, TEMPERATURE 294.15K                                   
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 64                             
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+1/3                                            
REMARK 290       3555   -X+Y,-X,Z+2/3                                           
REMARK 290       4555   -X,-Y,Z                                                 
REMARK 290       5555   Y,-X+Y,Z+1/3                                            
REMARK 290       6555   X-Y,X,Z+2/3                                             
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       11.96667            
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       23.93333            
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       11.96667            
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       23.93333            
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: 3600 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 9250 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -26.0 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 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375      HOH B 408  LIES ON A SPECIAL POSITION.                          
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     GLU A   110                                                      
REMARK 465     THR A   111                                                      
REMARK 465     GLY A   112                                                      
REMARK 465     PHE A   113                                                      
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     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: 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    ASP A 137       48.34    -86.03                                   
REMARK 500    SER A 177     -138.52    -92.62                                   
REMARK 500    ASN A 180       84.13     60.92                                   
REMARK 500    PHE A 186       79.72   -117.13                                   
REMARK 500    CYS B 157       21.67   -144.58                                   
REMARK 500    LYS B 171       55.48   -142.20                                   
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 CL A 301                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 302                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CL 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 A 305                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 306                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue EDO B 301                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue EDO B 302                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
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: 5M2C   RELATED DB: PDB                                   
REMARK 900 SAME PUBBLICATION                                                    
REMARK 900 RELATED ID: 5M3D   RELATED DB: PDB                                   
REMARK 900 SAME PUBBLICATION                                                    
REMARK 900 RELATED ID: 5M33   RELATED DB: PDB                                   
REMARK 900 SAME PUBBLICATION                                                    
REMARK 900 RELATED ID: 5M4R   RELATED DB: PDB                                   
REMARK 900 SAME PUBBLICATION                                                    
REMARK 900 RELATED ID: 1G8Q   RELATED DB: PDB                                   
REMARK 900 PREVIOUS PUBBLICATION: KITADOKORO ET AL., 2001                       
REMARK 900 RELATED ID: 1IV5   RELATED DB: PDB                                   
REMARK 900 PREVIOUS PUBBLICATION: KITADOKORO ET AL., 2002                       
DBREF  5M3T A  112   201  UNP    P60033   CD81_HUMAN     112    201             
DBREF  5M3T B  112   201  UNP    P60033   CD81_HUMAN     112    201             
SEQADV 5M3T GLU A  110  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T THR A  111  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T GLY A  202  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T THR A  203  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T LYS A  204  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T HIS A  205  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T HIS A  206  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T HIS A  207  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T HIS A  208  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T HIS A  209  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T HIS A  210  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T GLU B  110  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T THR B  111  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T GLY B  202  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T THR B  203  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T LYS B  204  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T HIS B  205  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T HIS B  206  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T HIS B  207  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T HIS B  208  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T HIS B  209  UNP  P60033              EXPRESSION TAG                 
SEQADV 5M3T 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     CL  A 301       1                                                       
HET     CL  A 302       1                                                       
HET     CL  A 303       1                                                       
HET    EDO  A 304      10                                                       
HET    EDO  A 305      10                                                       
HET    EDO  A 306      10                                                       
HET    EDO  B 301      10                                                       
HET    EDO  B 302      10                                                       
HET    EDO  B 303      10                                                       
HETNAM      CL CHLORIDE ION                                                     
HETNAM     EDO 1,2-ETHANEDIOL                                                   
HETSYN     EDO ETHYLENE GLYCOL                                                  
FORMUL   3   CL    3(CL 1-)                                                     
FORMUL   6  EDO    6(C2 H6 O2)                                                  
FORMUL  12  HOH   *19(H2 O)                                                     
HELIX    1 AA1 ASN A  115  VAL A  135  1                                  21    
HELIX    2 AA2 ALA A  140  ASP A  155  1                                  16    
HELIX    3 AA3 LEU A  162  ASN A  172  1                                  11    
HELIX    4 AA4 ASN A  180  PHE A  186  1                                   7    
HELIX    5 AA5 ASP A  189  GLY A  200  1                                  12    
HELIX    6 AA6 ASN B  115  ASP B  137  1                                  23    
HELIX    7 AA7 ALA B  140  ASP B  155  1                                  16    
HELIX    8 AA8 SER B  160  LYS B  171  1                                  12    
HELIX    9 AA9 ASN B  172  CYS B  175  5                                   4    
HELIX   10 AB1 ILE B  182  LYS B  187  1                                   6    
HELIX   11 AB2 ASP B  189  SER B  199  1                                  11    
SSBOND   1 CYS A  156    CYS A  190                          1555   1555  2.03  
SSBOND   2 CYS A  157    CYS A  175                          1555   1555  2.02  
SSBOND   3 CYS B  156    CYS B  190                          1555   1555  2.03  
SSBOND   4 CYS B  157    CYS B  175                          1555   1555  2.02  
SITE     1 AC1  3 LEU A 170  ASN A 173  CYS A 175                               
SITE     1 AC2  1 LYS A 116                                                     
SITE     1 AC3  5 THR A 161  LEU A 162  THR A 163  HOH A 408                    
SITE     2 AC3  5 ASN B 172                                                     
SITE     1 AC4  2 GLN A 129  GLN A 133                                          
SITE     1 AC5  6 LYS A 193  ASP A 196  LEU A 197  GLY A 202                    
SITE     2 AC5  6 EDO A 306  THR B 153                                          
SITE     1 AC6  3 LYS A 193  GLY A 202  EDO A 305                               
SITE     1 AC7  6 ASN B 172  ASN B 173  CYS B 175  PRO B 176                    
SITE     2 AC7  6 GLY B 178  SER B 179                                          
SITE     1 AC8  3 GLN B 129  GLN B 133  ASN B 142                               
SITE     1 AC9  3 SER B 159  ASP B 189  HIS B 191                               
CRYST1  101.300  101.300   35.900  90.00  90.00 120.00 P 64         12          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.009872  0.005699  0.000000        0.00000                         
SCALE2      0.000000  0.011399  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.027855        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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