PDBsum entry 1fzz

Hydrolase

PDB id: 1fzz

Contents

Protein chain

240 a.a. *

Ligands

681

Waters ×64

* Residue conservation analysis

References listed in PDB file

Key reference

• Title: The crystal structure of the complex of non-Peptidic inhibitor of human neutrophil elastase ono-6818 and porcine pancreatic elastase.
• Authors: Y.Odagaki, K.Ohmoto, S.Matsuoka, N.Hamanaka, H.Nakai, M.Toda, Y.Katsuya.
• Ref.: Bioorg Med Chem Lett, 2001, 9, 647-651. [DOI no: 10.1016/S0968-0896(00)00277-7]
• PubMed id: 11310599

Abstract

The crystal structure of a new inhibitor of human neutrophil elastase (HNE), N-[2-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-(IRS)-1-(methylethyl)-2-oxoethyl]-2-(5-amino-6-oxo-2-phenyl-6H-pyrimidin-1-ly)acetamide (ONO-6818, 1) complexed to porcine pancreatic elastase (PPE) has been determined at 1.86 A resolution. Analytical results provided evidence of a 1:1 complex in which the electrophilic ketone of 1 covalently bound to O gamma of Ser195 at the active site of PPE. The role of the unique electron-withdrawing ketone of 1 has been elucidated.