Structure of PDB 4v2k Chain A Binding Site BS03

Receptor Information

>4v2k Chain A (length=235) Species: 1049 (Allochromatium vinosum)

PTVALTVPAAALLPDGALGESIVRGRRYLSDTPAQLPDFVGNGLACRHCH
PGRDGEVGTEANAAPFVGVVGRFPQYSARHGRLITLEQRIGDCFERSLNG
RALALDHPALIDMLAYMSWLSQGVPVGAVVAGHGIPTLTLEREPDGVHGE
ALYQARCLACHGADGSGTLDADGRYLFPPLWGPRSFNTGAGMNRQATAAG
FIKHKMPLGADDSLSDEEAWDVAGFVLTHPRPLFQ

Ligand information

• Ligand ID: THJ
• InChI: InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: DHCDFWKWKRSZHF-UHFFFAOYSA-L
• SMILES:
  CACTVS 3.341: [O-][S]([S-])(=O)=O
  OpenEye OEToolkits 1.5.0: [O-]S(=O)(=O)[S-]
  ACDLabs 10.04: [O-]S([S-])(=O)=O
• Formula: O3 S2
• Name: THIOSULFATE
• PDB chain: 4v2k Chain A Residue 700

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4v2k Mechanism of Thiosulfate Oxidation in the Soxa Family of Cysteine-Ligated Cytochromes
• Resolution: 1.29 Å
• Binding residue (original residue number in PDB): R109 R119 C123 R126 S127 A220 G221
• Binding residue (residue number reindexed from 1): R79 R89 C93 R96 S97 A190 G191
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): R109 R119 C123 S127
• Catalytic site (residue number reindexed from 1): R79 R89 C93 S97
• 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

External links

• PDB: RCSB:4v2k, PDBe:4v2k, PDBj:4v2k
• PDBsum: 4v2k
• PubMed: 25673696
• UniProt: D3RVD4|TSDA_ALLVD Thiosulfate dehydrogenase (Gene Name=tsdA)