Structure of PDB 4wqe Chain A Binding Site BS04

Receptor Information
>4wqe Chain A (length=227) Species: 572477 (Allochromatium vinosum DSM 180) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVALTVPAAALLPDGALGESIVRGRRYLSDTPAQLPDFVGNGLACRHCHP
GRDGEVGTEANAAPFVGVVGRFPQYSARHGRLITLEQRIGDCFERSLNGR
ALALDHPALIDMLAYMSWLSQGVPVGAVVAGHGIPTLTLEREPDGVHGEA
LYQARCLACHGADGSGTLDADGRYLFPPLWGPRSFNTGAGMNRQATAAGF
IKHGMSLSDEEAWDVAGFVLTHPRPLF
Ligand information
Ligand IDSO3
InChIInChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
InChIKeyLSNNMFCWUKXFEE-UHFFFAOYSA-L
SMILES
SoftwareSMILES
CACTVS 3.341[O-][S]([O-])=O
OpenEye OEToolkits 1.5.0[O-]S(=O)[O-]
ACDLabs 10.04[O-]S([O-])=O
FormulaO3 S
NameSULFITE ION
ChEMBL
DrugBank
ZINC
PDB chain4wqe Chain A Residue 1006 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wqe Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		R82 C96 R99 S100 A193 G194
Binding residue
(residue number reindexed from 1)		R78 C92 R95 S96 A189 G190
Annotation score1
Enzymatic activity
Enzyme Commision number 1.8.2.2: thiosulfate dehydrogenase.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0050338 thiosulfate dehydrogenase activity
Cellular Component
GO:0042597 periplasmic space

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4wqe, PDBe:4wqe, PDBj:4wqe
PDBsum4wqe
PubMed25673691
UniProtD3RVD4|TSDA_ALLVD Thiosulfate dehydrogenase (Gene Name=tsdA)

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