Structure of PDB 3it6 Chain D Binding Site BS01

Receptor Information

>3it6 Chain D (length=205) Species: 1773 (Mycobacterium tuberculosis)

TMLCVLTTDAAAEPAALERALRRAAAATFDRLDIDGSCSTNDTVLLLSSG
ASEIPPAQADLDEAVLRVCDDLCAQLQADAEGVTKRVTVTVTGAATEDDA
LVAARQIARDSLVKTALFGSDPNWGRVLAAVGMAPITLDPDRISVSFNGA
AVCVHGVGAPGAREVDLSDADIDITVDLGVGDGQARIRTTDLSHAYVEEN
SAYSS

Ligand information

• Ligand ID: ORN
• InChI: InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
• InChIKey: AHLPHDHHMVZTML-BYPYZUCNSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C(C[C@@H](C(=O)O)N)CN
  CACTVS 3.370: NCCC[CH](N)C(O)=O
  CACTVS 3.370: NCCC[C@H](N)C(O)=O
  ACDLabs 12.01: O=C(O)C(N)CCCN
  OpenEye OEToolkits 1.7.6: C(CC(C(=O)O)N)CN
• Formula: C5 H12 N2 O2
• Name: L-ornithine
• ChEMBL: CHEMBL446143
• DrugBank: DB00129
• ZINC: ZINC000001532530
• PDB chain: 3it6 Chain D Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3it6 The molecular structure of ornithine acetyltransferase from Mycobacterium tuberculosis bound to ornithine, a competitive inhibitor.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): T200 E280 N399 S404
• Binding residue (residue number reindexed from 1): T1 E81 N200 S205
• Annotation score: 5

Enzymatic activity

• Enzyme Commision number: 2.3.1.1: amino-acid N-acetyltransferase.
  2.3.1.35: glutamate N-acetyltransferase.

Gene Ontology

Molecular Function

• GO:0004358 glutamate N-acetyltransferase activity

Biological Process

• GO:0006526 L-arginine biosynthetic process

External links

• PDB: RCSB:3it6, PDBe:3it6, PDBj:3it6
• PDBsum: 3it6
• PubMed: 20184895
• UniProt: P9WPZ3|ARGJ_MYCTU Arginine biosynthesis bifunctional protein ArgJ (Gene Name=argJ)