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Database: PDB
Entry: 5EUS
LinkDB: 5EUS
Original site: 5EUS 
HEADER    TRANSPORT PROTEIN                       19-NOV-15   5EUS              
TITLE     RAT PRESTIN STAS DOMAIN IN COMPLEX WITH BROMIDE                       
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PRESTIN,RAT PRESTIN STAS DOMAIN;                           
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: STAS DOMAIN,STAS DOMAIN;                                   
COMPND   5 SYNONYM: SOLUTE CARRIER FAMILY 26 MEMBER 5;                          
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                              
SOURCE   3 ORGANISM_COMMON: NORWAY RAT;                                         
SOURCE   4 ORGANISM_TAXID: 10116;                                               
SOURCE   5 GENE: SLC26A5, PRES, SLC26A5;                                        
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET SUMO                                  
KEYWDS    ANION-BINDING SITE, PROTEIN-ANION COMPLEX, TRANSPORT PROTEIN          
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    G.LOLLI,E.PASQUALETTO,E.COSTANZI,G.BONETTO,R.BATTISTUTTA              
REVDAT   4   10-JAN-24 5EUS    1       REMARK                                   
REVDAT   3   20-JUL-16 5EUS    1       JRNL                                     
REVDAT   2   17-FEB-16 5EUS    1       JRNL                                     
REVDAT   1   16-DEC-15 5EUS    0                                                
JRNL        AUTH   G.LOLLI,E.PASQUALETTO,E.COSTANZI,G.BONETTO,R.BATTISTUTTA     
JRNL        TITL   THE STAS DOMAIN OF MAMMALIAN SLC26A5 PRESTIN HARBOURS AN     
JRNL        TITL 2 ANION-BINDING SITE.                                          
JRNL        REF    BIOCHEM.J.                    V. 473   365 2016              
JRNL        REFN                   ESSN 1470-8728                               
JRNL        PMID   26635354                                                     
JRNL        DOI    10.1042/BJ20151089                                           
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   E.PASQUALETTO,R.AIELLO,L.GESIOT,G.BONETTO,M.BELLANDA,        
REMARK   1  AUTH 2 R.BATTISTUTTA                                                
REMARK   1  TITL   STRUCTURE OF THE CYTOSOLIC PORTION OF THE MOTOR PROTEIN      
REMARK   1  TITL 2 PRESTIN AND FUNCTIONAL ROLE OF THE STAS DOMAIN IN SLC26/SULP 
REMARK   1  TITL 3 ANION TRANSPORTERS.                                          
REMARK   1  REF    J.MOL.BIOL.                   V. 400   448 2010              
REMARK   1  REFN                   ESSN 1089-8638                               
REMARK   1  PMID   20471983                                                     
REMARK   1  DOI    10.1016/J.JMB.2010.05.013                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.83 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX                                               
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 : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.83                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 41.51                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.340                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.8                           
REMARK   3   NUMBER OF REFLECTIONS             : 24555                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.155                           
REMARK   3   R VALUE            (WORKING SET) : 0.153                           
REMARK   3   FREE R VALUE                     : 0.197                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.330                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1308                            
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 41.5233 -  3.8120    1.00     2619   122  0.1395 0.1704        
REMARK   3     2  3.8120 -  3.0260    1.00     2542   184  0.1477 0.1883        
REMARK   3     3  3.0260 -  2.6435    1.00     2636   122  0.1555 0.2231        
REMARK   3     4  2.6435 -  2.4019    1.00     2585   126  0.1482 0.1928        
REMARK   3     5  2.4019 -  2.2297    1.00     2607   136  0.1453 0.2175        
REMARK   3     6  2.2297 -  2.0983    1.00     2597   136  0.1500 0.1722        
REMARK   3     7  2.0983 -  1.9932    1.00     2564   168  0.1719 0.2388        
REMARK   3     8  1.9932 -  1.9064    1.00     2571   144  0.2223 0.2914        
REMARK   3     9  1.9064 -  1.8330    0.98     2526   170  0.2604 0.2661        
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              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.200            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 19.490           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 46.26                          
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      :  0.011           1059                                  
REMARK   3   ANGLE     :  1.219           1430                                  
REMARK   3   CHIRALITY :  0.055            164                                  
REMARK   3   PLANARITY :  0.006            182                                  
REMARK   3   DIHEDRAL  : 15.395            380                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 3                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 505 THROUGH 539 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  14.0381  -2.8275  -1.8433              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3054 T22:   0.2873                                     
REMARK   3      T33:   0.3459 T12:  -0.0235                                     
REMARK   3      T13:   0.0446 T23:   0.0387                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5159 L22:   0.3821                                     
REMARK   3      L33:   0.3718 L12:  -0.2064                                     
REMARK   3      L13:  -0.2243 L23:  -0.2097                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1924 S12:  -0.1031 S13:   0.1187                       
REMARK   3      S21:   0.0019 S22:   0.0324 S23:   0.2154                       
REMARK   3      S31:  -0.0530 S32:  -0.2770 S33:   0.0003                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 540 THROUGH 552 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  26.3124   0.9060  11.4293              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5053 T22:   0.3590                                     
REMARK   3      T33:   0.4037 T12:  -0.0683                                     
REMARK   3      T13:   0.0774 T23:  -0.0922                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1035 L22:   0.0284                                     
REMARK   3      L33:   0.0910 L12:  -0.0558                                     
REMARK   3      L13:  -0.0766 L23:   0.0293                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0212 S12:  -0.5414 S13:   0.3075                       
REMARK   3      S21:   0.3864 S22:  -0.2536 S23:   0.3794                       
REMARK   3      S31:  -0.4775 S32:   0.3021 S33:  -0.0024                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 638 THROUGH 718)                  
REMARK   3    ORIGIN FOR THE GROUP (A):  29.6206 -11.1613   3.6414              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3389 T22:   0.2443                                     
REMARK   3      T33:   0.2453 T12:  -0.0281                                     
REMARK   3      T13:   0.0111 T23:   0.0209                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2489 L22:   1.4547                                     
REMARK   3      L33:   0.6972 L12:  -0.1505                                     
REMARK   3      L13:   0.2893 L23:  -0.3667                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0361 S12:  -0.1099 S13:  -0.0604                       
REMARK   3      S21:   0.1867 S22:   0.0236 S23:  -0.0612                       
REMARK   3      S31:   0.1212 S32:   0.0914 S33:   0.0000                       
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 5EUS COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 19-NOV-15.                  
REMARK 100 THE DEPOSITION ID IS D_1000215485.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 29-OCT-10                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ELETTRA                            
REMARK 200  BEAMLINE                       : 5.2R                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.91                               
REMARK 200  MONOCHROMATOR                  : SI(111)                            
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS 2M                 
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : AIMLESS                            
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 13128                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.830                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 41.513                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : 19.50                              
REMARK 200  R MERGE                    (I) : 0.07800                            
REMARK 200  R SYM                      (I) : 0.08200                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 25.0000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.83                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.87                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.4                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 17.90                              
REMARK 200  R MERGE FOR SHELL          (I) : 1.99800                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.700                              
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: 3LLO                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 46.35                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.29                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M MES PH 6.5, 1.8 M AMMONIUM         
REMARK 280  SULPHATE, 126 MM POTASSIUM BROMIDE, 5% (W/V) PEG400, 0.1% (W/V)     
REMARK 280  OCTYL-BETA-D-GLUCOPYRANOSIDE, VAPOR DIFFUSION, SITTING DROP,        
REMARK 280  TEMPERATURE 293K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1                         
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   Y,X,-Z                                                  
REMARK 290       5555   X-Y,-Y,-Z+2/3                                           
REMARK 290       6555   -X,-X+Y,-Z+1/3                                          
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       22.13867            
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       44.27733            
REMARK 290   SMTRY1   4 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   5  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       44.27733            
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       22.13867            
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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1120 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 7760 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 11.0 KCAL/MOL                         
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     SER A   553                                                      
REMARK 465     SER A   554                                                      
REMARK 465     ALA A   555                                                      
REMARK 465     LEU A   556                                                      
REMARK 465     LYS A   557                                                      
REMARK 465     ARG A   558                                                      
REMARK 465     LYS A   559                                                      
REMARK 465     THR A   560                                                      
REMARK 465     GLY A   561                                                      
REMARK 465     VAL A   562                                                      
REMARK 465     ASN A   563                                                      
REMARK 465     GLY A   635                                                      
REMARK 465     SER A   636                                                      
REMARK 465     GLU A   637                                                      
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 522      120.11    -39.45                                   
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 BR A 801                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 802                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 803                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 804                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 805                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue PG4 A 806                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3LLO   RELATED DB: PDB                                   
REMARK 900 3LLO CONTAINS THE SAME PROTEIN IN APO FORM.                          
DBREF  5EUS A  505   563  UNP    Q9EPH0   S26A5_RAT      505    563             
DBREF  5EUS A  637   718  UNP    Q9EPH0   S26A5_RAT      637    718             
SEQADV 5EUS GLY A  635  UNP  Q9EPH0              LINKER                         
SEQADV 5EUS SER A  636  UNP  Q9EPH0              LINKER                         
SEQRES   1 A  143  SER PRO SER TYR THR VAL LEU GLY GLN LEU PRO ASP THR          
SEQRES   2 A  143  ASP VAL TYR ILE ASP ILE ASP ALA TYR GLU GLU VAL LYS          
SEQRES   3 A  143  GLU ILE PRO GLY ILE LYS ILE PHE GLN ILE ASN ALA PRO          
SEQRES   4 A  143  ILE TYR TYR ALA ASN SER ASP LEU TYR SER SER ALA LEU          
SEQRES   5 A  143  LYS ARG LYS THR GLY VAL ASN GLY SER GLU ASN ILE HIS          
SEQRES   6 A  143  THR VAL ILE LEU ASP PHE THR GLN VAL ASN PHE MET ASP          
SEQRES   7 A  143  SER VAL GLY VAL LYS THR LEU ALA GLY ILE VAL LYS GLU          
SEQRES   8 A  143  TYR GLY ASP VAL GLY ILE TYR VAL TYR LEU ALA GLY CYS          
SEQRES   9 A  143  SER ALA GLN VAL VAL ASN ASP LEU THR SER ASN ARG PHE          
SEQRES  10 A  143  PHE GLU ASN PRO ALA LEU LYS GLU LEU LEU PHE HIS SER          
SEQRES  11 A  143  ILE HIS ASP ALA VAL LEU GLY SER GLN VAL ARG GLU ALA          
HET     BR  A 801       1                                                       
HET    EDO  A 802      10                                                       
HET    EDO  A 803      10                                                       
HET    EDO  A 804      10                                                       
HET    EDO  A 805      10                                                       
HET    PG4  A 806      31                                                       
HETNAM      BR BROMIDE ION                                                      
HETNAM     EDO 1,2-ETHANEDIOL                                                   
HETNAM     PG4 TETRAETHYLENE GLYCOL                                             
HETSYN     EDO ETHYLENE GLYCOL                                                  
FORMUL   2   BR    BR 1-                                                        
FORMUL   3  EDO    4(C2 H6 O2)                                                  
FORMUL   7  PG4    C8 H18 O5                                                    
FORMUL   8  HOH   *69(H2 O)                                                     
HELIX    1 AA1 PRO A  543  TYR A  552  1                                  10    
HELIX    2 AA2 ASP A  653  ASP A  669  1                                  17    
HELIX    3 AA3 SER A  680  ASN A  690  1                                  11    
HELIX    4 AA4 ASN A  695  GLU A  700  5                                   6    
HELIX    5 AA5 SER A  705  GLN A  714  1                                  10    
SHEET    1 AA1 6 TYR A 520  ASP A 522  0                                        
SHEET    2 AA1 6 TYR A 508  GLN A 513 -1  N  GLY A 512   O  ILE A 521           
SHEET    3 AA1 6 ILE A 535  ILE A 540 -1  O  GLN A 539   N  THR A 509           
SHEET    4 AA1 6 THR A 641  ASP A 645  1  O  ILE A 643   N  LYS A 536           
SHEET    5 AA1 6 TYR A 673  ALA A 677  1  O  TYR A 675   N  LEU A 644           
SHEET    6 AA1 6 LEU A 702  PHE A 703  1  O  PHE A 703   N  LEU A 676           
SITE     1 AC1  2 GLY A 656  GLN A 714                                          
SITE     1 AC2  2 GLN A 513  VAL A 710                                          
SITE     1 AC3  2 TYR A 508  LYS A 536                                          
SITE     1 AC4  3 ASP A 518  HOH A 901  HOH A 941                               
SITE     1 AC5  2 THR A 688  LYS A 699                                          
SITE     1 AC6  6 GLY A 668  TYR A 673  ALA A 697  HIS A 704                    
SITE     2 AC6  6 ALA A 718  HOH A 911                                          
CRYST1   61.408   61.408   66.416  90.00  90.00 120.00 P 31 2 1      6          
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      0.016285  0.009402  0.000000        0.00000                         
SCALE2      0.000000  0.018804  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.015057        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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