PDBsum entry 1mmj

Hydrolase

PDB id

1mmj

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Contents

			Protein chain

					240 a.a. *

			Ligands

					SO4


					FR1

			Metals

					_CA

			Waters ×269

* Residue conservation analysis

PDB id:

1mmj

Links
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Name:

Hydrolase

Title:

Porcine pancreatic elastase complexed with a potent peptidyl inhibitor, fr136706

Structure:

Elastase 1. Chain: n. Ec: 3.4.21.36

Source:

Sus scrofa. Pig. Organism_taxid: 9823. Tissue: pancreatic

Resolution:

2.20Å

R-factor:

0.215

R-free:

0.241

Authors:

T.Kinoshita

Key ref:

T.Kinoshita et al. (2003). True interaction mode of porcine pancreatic elastase with FR136706, a potent peptidyl inhibitor. Bioorg Med Chem Lett, 13, 21-24. PubMed id: 12467609 DOI: 10.1016/S0960-894X(02)00852-1

Date:

04-Sep-02

Release date:

23-Dec-02

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/S0960-894X(02)00852-1	Bioorg Med Chem Lett 13:21-24 (2003)
PubMed id: 12467609

True interaction mode of porcine pancreatic elastase with FR136706, a potent peptidyl inhibitor.
T.Kinoshita, I.Nakanishi, A.Sato, T.Tada.

ABSTRACT

The crystal structure of porcine pancreatic elastase (PPE) complexed with a potent peptidyl inhibitor, FR136706, was solved at 2.2A resolution. FR136706 fits snugly into the extended active site pocket. The benzene moiety of FR136706 induced dramatic movement of the side chain moiety of Arg217 and both moieties formed a pi-pi interaction, which has never been found previously in structures of PPE complexed with inhibitors. This novel interaction mode may lead to design of new types of inhibitors.

Literature references that cite this PDB file's key reference

PubMed id

Reference

17401204

T.Kinoshita, T.Tamada, K.Imai, K.Kurihara, T.Ohhara, T.Tada, and R.Kuroki (2007).
Crystallization of porcine pancreatic elastase and a preliminary neutron diffraction experiment.

Acta Crystallogr Sect F Struct Biol Cryst Commun, 63, 315-317.

14583266

U.Matern, C.Schleberger, S.Jelakovic, J.Weckesser, and G.E.Schulz (2003).
Binding structure of elastase inhibitor scyptolin A.

Chem Biol, 10, 997.

PDB code:

1okx

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. Where a reference describes a PDB structure, the PDB code is shown on the right.