PDBsum entry 1fzz

Hydrolase

PDB id

1fzz

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Contents

			Protein chain

					240 a.a. *

			Ligands

					681

			Waters ×64

* Residue conservation analysis

PDB id:

1fzz

Links
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Name:

Hydrolase

Title:

The crystal structure of the complex of non-peptidic inhibitor ono- 6818 and porcine pancreatic elastase.

Structure:

Elastase 1. Chain: a. Ec: 3.4.21.36

Source:

Sus scrofa. Pig. Organism_taxid: 9823. Organ: pancreas

Resolution:

1.86Å

R-factor:

0.198

R-free:

0.238

Authors:

Y.Odagaki,K.Ohmoto,S.Matsuoka,N.Hamanaka,H.Nakai,M.Toda,Y.Katsuya

Key ref:

Y.Odagaki et al. (2001). The crystal structure of the complex of non-peptidic inhibitor of human neutrophil elastase ONO-6818 and porcine pancreatic elastase. Bioorg Med Chem Lett, 9, 647-651. PubMed id: 11310599 DOI: 10.1016/S0968-0896(00)00277-7

Date:

04-Oct-00

Release date:

04-Oct-01

PROCHECK

	Headers

	References

Protein chain

P00772 (CELA1_PIG) - Chymotrypsin-like elastase family member 1 from Sus scrofa

Seq: Struc:					266 a.a. 240 a.a.

Key:

PfamA domain

Secondary structure

CATH domain



		Enzyme reactions

Enzyme class:

E.C.3.4.21.36 - pancreatic elastase.

[IntEnz] [ExPASy] [KEGG] [BRENDA]

Reaction:

Hydrolysis of proteins, including elastin. Preferential cleavage: Ala-|-Xaa.

DOI no: 10.1016/S0968-0896(00)00277-7	Bioorg Med Chem Lett 9:647-651 (2001)
PubMed id: 11310599

The crystal structure of the complex of non-peptidic inhibitor of human neutrophil elastase ONO-6818 and porcine pancreatic elastase.
Y.Odagaki, K.Ohmoto, S.Matsuoka, N.Hamanaka, H.Nakai, M.Toda, Y.Katsuya.

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.

Literature references that cite this PDB file's key reference

PubMed id

Reference

21450464

A.Mete, G.Andrews, M.Bernstein, S.Connolly, P.Hartopp, C.G.Jackson, R.Lewis, I.Martin, D.Murray, R.Riley, D.H.Robinson, G.M.Smith, E.Wells, and W.J.Withnall (2011).
Design of novel and potent cPLA2α inhibitors containing an α-methyl-2-ketothiazole as a metabolically stable serine trap.

Bioorg Med Chem Lett, 21, 3128-3133.

The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time.