Structure of PDB 3s8y Chain A Binding Site BS01

Receptor Information

>3s8y Chain A (length=277) Species: 188908 (Oleispira antarctica)

SIENLSSNKSFGGWHKQYSHVSNTLNCAMRFAIYLPPQASTGAKVPVLYW
LSGLTCSDENFMQKAGAQRLAAELGIAIVAPDTSPRGEGVADDEGYDLGQ
GAGFYVNATQAPWNRHYQMYDYVVNELPELIESMFPVSDKRAIAGHSMGG
HGALTIALRNPERYQSVSAFSPINNPVNCPWGQKAFTAYLGKDTDTWREY
DASLLMRAAKQYVPALVDQGEADNFLAEQLKPEVLEAAASSNNYPLELRS
HEGYDHSYYFIASFIEDHLRFHSNYLN

Ligand information

• Ligand ID: BR
• InChI: InChI=1S/BrH/h1H/p-1
• InChIKey: CPELXLSAUQHCOX-UHFFFAOYSA-M
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Br-]
• Formula: Br
• Name: BROMIDE ION
• PDB chain: 3s8y Chain A Residue 280

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3s8y Structure and activity of the cold-active and anion-activated carboxyl esterase OLEI01171 from the oil-degrading marine bacterium Oleispira antarctica.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): G54 L55 S148 M149
• Binding residue (residue number reindexed from 1): G53 L54 S147 M148
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.2.12: S-formylglutathione hydrolase.

Gene Ontology

Molecular Function

• GO:0016788 hydrolase activity, acting on ester bonds
• GO:0018738 S-formylglutathione hydrolase activity
• GO:0052689 carboxylic ester hydrolase activity

Biological Process

• GO:0046292 formaldehyde metabolic process
• GO:0046294 formaldehyde catabolic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:3s8y, PDBe:3s8y, PDBj:3s8y
• PDBsum: 3s8y
• PubMed: 22519667
• UniProt: D0VWZ4