Structure of PDB 6pux Chain B Binding Site BS01

Receptor Information

>6pux Chain B (length=365) Species: 83332 (Mycobacterium tuberculosis H37Rv)

AMTLPAEGEIGLIDVGSLQLESGAVIDDVCIAVQRWGKLSPARDNVVVVL
HALTGDSHITGPAGPGHPTPGWWDGVAGPGAPIDTTRWCAVATNVLGGCR
GSTGPSSLARDGKPWGSRFPLISIRDQVQADVAALAALGITEVAAVVGGS
MGGARALEWVVGYPDRVRAGLLLAVGARATADQIGTQTTQIAAIKADPDW
QSGDYHETGRAPDAGLRLARRFAHLTYRGEIELDTRFANHNQGNEDPTAG
GRYAVQSYLEHQGDKLLSRFDAGSYVILTEALNSHDVGRGRGGVSAALRA
CPVPVVVGGITSDRLYPLRLQQELADLLPGCAGLRVVESVYGHDGFLVET
EAVGELIRQTLGLAD

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 6pux Chain B Residue 408

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6pux Structural analysis of mycobacterial homoserine transacetylases central to methionine biosynthesis reveals druggable active site.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): S130 I131 A288 S291 H292
• Binding residue (residue number reindexed from 1): S123 I124 A281 S284 H285
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.3.1.31: homoserine O-acetyltransferase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004414 homoserine O-acetyltransferase activity
• GO:0016746 acyltransferase activity
• GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups

Biological Process

• GO:0009058 biosynthetic process
• GO:0009086 methionine biosynthetic process
• GO:0009092 homoserine metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005886 plasma membrane

External links

• PDB: RCSB:6pux, PDBe:6pux, PDBj:6pux
• PDBsum: 6pux
• PubMed: 31889085
• UniProt: P9WJY9|METXA_MYCTU Homoserine O-acetyltransferase (Gene Name=metXA)