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(-) Description

Title :  THIOSULFATE DEHYDROGENASE (TSDA) FROM ALLOCHROMATIUM VINOSUM - TETRATHIONATE CO-CRYSTALLIZATION
 
Authors :  J. A. Brito, K. Denkmann, I. A. C. Pereira, C. Dahl, M. Archer
Date :  21 Oct 14  (Deposition) - 18 Feb 15  (Release) - 15 Apr 15  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.64
Chains :  Asym./Biol. Unit :  A
Keywords :  Oxidoreductase, Tetrathionate, Tsda, C-Type Cytochrome, Allochromatium Vinosum (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  J. A. Brito, K. Denkmann, I. A. Pereira, M. Archer, C. Dahl
Thiosulfate Dehydrogenase (Tsda) From Allochromatium Vinosum: Structural And Functional Insights Into Thiosulfat Oxidation.
J. Biol. Chem. V. 290 9222 2015
PubMed-ID: 25673691  |  Reference-DOI: 10.1074/JBC.M114.623397
(for further references see the PDB file header)

(-) Compounds

Molecule 1 - THIOSULFATE DEHYDROGENASE
    Atcc: 17899
    Chains: A
    EC Number: 1.8.2.2
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Plasmid: PPR-IBAAVTSDAS
    Expression System Strain: BL21(DE3)
    Expression System Taxid: 469008
    Gene: TSDA, ALVIN_0091
    Organism Scientific: ALLOCHROMATIUM VINOSUM
    Organism Taxid: 572477
    Strain: ATCC 17899 / DSM 180 / NBRC 103801 / D
    Synonym: TETRATHIONATE SYNTHASE

 Structural Features

(-) Chains, Units

  1
Asymmetric/Biological Unit : A

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (6, 7)

Asymmetric/Biological Unit (6, 7)
No.NameCountTypeFull Name
1CSS1Mod. Amino AcidS-MERCAPTOCYSTEINE
2EDO1Ligand/Ion1,2-ETHANEDIOL
3HEC2Ligand/IonHEME C
4IOD1Ligand/IonIODIDE ION
5SO31Ligand/IonSULFITE ION
6SO41Ligand/IonSULFATE ION

(-) Sites  (6, 6)

Asymmetric Unit (6, 6)
No.NameEvidenceResiduesDescription
1AC1SOFTWARELEU A:32 , CYS A:49 , CYS A:52 , HIS A:53 , PHE A:69 , LEU A:89 , ARG A:92 , CSS A:96 , PHE A:97 , SER A:100 , LEU A:101 , GLY A:137 , ILE A:138 , PHE A:189 , THR A:200 , HOH A:1111 , HOH A:1172 , HOH A:1179 , HOH A:1183 , HOH A:1215 , HOH A:1249 , HOH A:1253binding site for residue HEC A 1001
2AC2SOFTWAREHIS A:51 , CYS A:52 , ARG A:159 , CYS A:160 , CYS A:163 , HIS A:164 , LEU A:179 , PHE A:180 , PRO A:181 , PRO A:182 , LEU A:183 , PHE A:189 , PHE A:204 , ILE A:205 , LYS A:208 , MET A:209 , HOH A:1174 , HOH A:1210binding site for residue HEC A 1002
3AC3SOFTWAREARG A:234 , HOH A:1145binding site for residue IOD A 1003
4AC4SOFTWAREARG A:197 , GLN A:198 , HOH A:1122binding site for residue SO4 A 1004
5AC5SOFTWAREALA A:162 , CYS A:163binding site for residue EDO A 1005
6AC6SOFTWAREARG A:82 , ARG A:92 , CSS A:96 , ARG A:99 , SER A:100 , GLY A:192 , ALA A:193 , GLY A:194 , HOH A:1279binding site for residue SO3 A 1006

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 4WQA)

(-) Cis Peptide Bonds  (1, 1)

Asymmetric/Biological Unit
No.Residues
1Phe A:76 -Pro A:77

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

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(-) PROSITE Motifs  (0, 0)

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(-) Exons   (0, 0)

(no "Exon" information available for 4WQA)

(-) Sequences/Alignments

Asymmetric/Biological Unit
   Reformat: Number of residues per line =  ('0' or empty: single-line sequence representation)
  Number of residues per labelling interval =   
  UniProt sequence: complete  aligned part    
   Show mapping: SCOP domains CATH domains Pfam domains Secondary structure (by author)
SAPs(SNPs) PROSITE motifs Exons
(details for a mapped element are shown in a popup box when the mouse pointer rests over it) 
Chain A from PDB  Type:PROTEIN  Length:227
                                                                                                                                                                                                                                                                   
               SCOP domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .......hhhhh..hhhhhhhhhhhhhhhhhhhhh........hhhhh...................hhhhh.eee....eeehhhhhhhhhhhh..........hhhhhhhhhhhhhhh.......................hhhhhhhhhhhhhhhhhh.....ee.....eee............hhhhhhhhhhhhhhhhh..hhhhhhhhhhhhh....... Sec.struct. author
                 SAPs(SNPs) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4wqa A   5 TVALTVPAAALLPDGALGESIVRGRRYLSDTPAQLPDFVGNGLACRHCHPGRDGEVGTEANAAPFVGVVGRFPQYSARHGRLITLEQRIGDcFERSLNGRALALDHPALIDMLAYMSWLSQGVPVGAVVAGHGIPTLTLEREPDGVHGEALYQARCLACHGADGSGTLDADGRYLFPPLWGPRSFNTGAGMNRQATAAGFIKHKMSLSDEEAWDVAGFVLTHPRPLF 237
                                    14        24        34        44        54        64        74        84        94 |     104       114       124       134       144       154       164       174       184       194       204    || 220       230       
                                                                                                                      96-CSS                                                                                                          209|                     
                                                                                                                                                                                                                                       216
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  extra numbering lines below/above indicate numbering irregularities and modified residue names etc., number ends below/above '|'

 Classification and Annotation

(-) SCOP Domains  (0, 0)

(no "SCOP Domain" information available for 4WQA)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 4WQA)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 4WQA)

(-) Gene Ontology  (7, 7)

Asymmetric/Biological Unit(hide GO term definitions)

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  Cis Peptide Bonds
    Phe A:76 - Pro A:77   [ RasMol ]  
 

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 Related Entries

(-) Entries Sharing at Least One Protein Chain (UniProt ID)

UniProtKB/Swiss-Prot
        TSDA_ALLVD | D3RVD4: 4v2k 4wq7 4wq8 4wq9 4wqb 4wqc 4wqd 4wqe

(-) Related Entries Specified in the PDB File

4wq7 THIOSULFATE DEHYDROGENASE (TSDA) FROM ALLOCHROMATIUM VINOSUM - "AS ISOLATED" FORM