Structure of PDB 2bng Chain B Binding Site BS01

Receptor Information

>2bng Chain B (length=133) Species: 83332 (Mycobacterium tuberculosis H37Rv)

PETTEAIRAVEAFLNALQNEDFDTVDAALGDDLVYENVGFSRIRGGRRTA
TLLRRMQGRVGFEVKIHRIGADGAAVLTERTDALIIGPLRVQFWVCGVFE
VDDGRITLWRDYFDVYDMFKGLLRGLVALVVPS

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 2bng Chain B Residue 1145

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2bng Structure of an Atypical Epoxide Hydrolase from Mycobacterium Tuberculosis Gives Insights Into its Function.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): E13 D114
• Binding residue (residue number reindexed from 1): E2 D103
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y46 N48 R91 D93 D122
• Catalytic site (residue number reindexed from 1): Y35 N37 R80 D82 D111
• Enzyme Commision number: 3.3.2.10: soluble epoxide hydrolase.
  3.3.2.11: cholesterol-5,6-oxide hydrolase.

Gene Ontology

Molecular Function

• GO:0004301 epoxide hydrolase activity
• GO:0016787 hydrolase activity
• GO:0033963 cholesterol-5,6-oxide hydrolase activity

Biological Process

• GO:0097176 epoxide metabolic process

Cellular Component

• GO:0005886 plasma membrane

External links

• PDB: RCSB:2bng, PDBe:2bng, PDBj:2bng
• PDBsum: 2bng
• PubMed: 16051262
• UniProt: O33283|EPHG_MYCTU Epoxide hydrolase EphG (Gene Name=ephG)