Structure of PDB 6fvj Chain D Binding Site BS01

Receptor Information

>6fvj Chain D (length=223) Species: 1773 (Mycobacterium tuberculosis)

AKQAAPTLYIFPHAGGTAKDYVAFSREFSADVKRIAVQYPGGLPPLESIP
TLADEIFAMMKPSARIDDPVAFFGHSMGGMLAFEVALRYQSAGHRVLAFF
VSACSAPGHIRYKQLQDLSDREMLDLFTRMDDEFFVGALPTLRAVRAIAG
YSCPPETKLSCPIYAFIGDKDWIATQDDMDPWRDRTTEEFSIRVFPGDHF
YLNDNLPELVSDIEDKTLQWHDR

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: 6fvj Chain A Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6fvj Biochemical and Structural Characterization of TesA, a Major Thioesterase Required for Outer-Envelope Lipid Biosynthesis in Mycobacterium tuberculosis.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): R49 F51
• Binding residue (residue number reindexed from 1): R26 F28
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.1.6: acetylesterase.
  3.1.2.-
  3.1.2.2: palmitoyl-CoA hydrolase.

Gene Ontology

Molecular Function

• GO:0008126 acetylesterase activity
• GO:0016787 hydrolase activity
• GO:0047617 fatty acyl-CoA hydrolase activity

Biological Process

• GO:0006629 lipid metabolic process
• GO:0008610 lipid biosynthetic process
• GO:0009058 biosynthetic process
• GO:0052167 symbiont-mediated perturbation of host innate immune response
• GO:0071770 DIM/DIP cell wall layer assembly

Cellular Component

• GO:0005886 plasma membrane

External links

• PDB: RCSB:6fvj, PDBe:6fvj, PDBj:6fvj
• PDBsum: 6fvj
• PubMed: 30292819
• UniProt: P9WQD5|TESA_MYCTU Thioesterase TesA (Gene Name=tesA)