PDBsum entry 1qxy

Hydrolase

PDB id: 1qxy

Contents

Protein chain

249 a.a. *

Ligands

ACT

M2C

Metals

_CO ×3

Waters ×393

* Residue conservation analysis

References listed in PDB file

Key reference

• Title: Crystal structures of staphylococcusaureus methionine aminopeptidase complexed with keto heterocycle and aminoketone inhibitors reveal the formation of a tetrahedral intermediate.
• Authors: A.Douangamath, G.E.Dale, A.D'Arcy, M.Almstetter, R.Eckl, A.Frutos-Hoener, B.Henkel, K.Illgen, S.Nerdinger, H.Schulz, A.Mac sweeney, A.Macsweeney, M.Thormann, A.Treml, S.Pierau, S.Wadman, C.Oefner.
• Ref.: J Med Chem, 2004, 47, 1325-1328. [DOI no: 10.1021/jm034188j]
• PubMed id: 14998322

Abstract

High-resolution crystal structures of Staphylococcus aureus methionine aminopeptidase I in complex with various keto heterocycles and aminoketones were determined, and the intermolecular ligand interactions with the enzyme are reported. The compounds are effective inhibitors of the S. aureus enzyme because of the formation of an uncleavable tetrahedral intermediate upon binding. The electron densities unequivocally show the enzyme-catalyzed transition-state analogue mimicking that for amide bond hydrolysis of substrates.