PDBsum entry 1nes

Hydrolase/hydrolase inhibitor

PDB id

1nes

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Contents

			Protein chain

					240 a.a. *

			Ligands

					ACE-ALA-PRO-ALA ×2


					SO4

			Metals

					_CA

			Waters ×138

* Residue conservation analysis

PDB id:

1nes

Links
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Name:

Hydrolase/hydrolase inhibitor

Title:

Structure of the product complex of acetyl-ala-pro-ala with porcine pancreatic elastase at 1.65 angstroms resolution

Structure:

Elastase. Chain: e. Acetyl-ala-pro-ala. Chain: i, j. Engineered: yes

Source:

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

Biol. unit:

Trimer (from PQS)

Resolution:

1.65Å

R-factor:

0.184

Authors:

E.F.Meyer Junior,R.Radhakrishnan,G.M Cole,L.G.Presta

Key ref:

E.F.Meyer et al. (1986). Structure of the product complex of acetyl-Ala-Pro-Ala with porcine pancreatic elastase at 1.65 A resolution. J Mol Biol, 189, 533-539. PubMed id: 3640831

Date:

31-Jul-95

Release date:

29-Jan-96

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

* PDB and UniProt seqs differ at 1 residue position (black cross)



		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.

	J Mol Biol 189:533-539 (1986)
PubMed id: 3640831

Structure of the product complex of acetyl-Ala-Pro-Ala with porcine pancreatic elastase at 1.65 A resolution.
E.F.Meyer, R.Radhakrishnan, G.M.Cole, L.G.Presta.

ABSTRACT

A single crystal of porcine pancreatic elastase was mounted in a thin-walled capillary and allowed to react with acetyl-Ala-Pro-Ala-paranitroanalide. Diffraction data to 1.65 A resolution were measured and the isomorphous structure was solved from the difference Fourier map. The structure contains two surprises. Two molecules of the product: acetyl-Ala-Pro-Ala molecule are bound in the extended binding site. Both molecules are bound backwards with respect to the established mode of peptide binding.

Literature references that cite this PDB file's key reference

PubMed id

Reference

11896054

G.Katona, R.C.Wilmouth, P.A.Wright, G.I.Berglund, J.Hajdu, R.Neutze, and C.J.Schofield (2002).
X-ray structure of a serine protease acyl-enzyme complex at 0.95-A resolution.

J Biol Chem, 277, 21962-21970.

PDB code:

1gvk

12198296

M.S.Weiss, S.Panjikar, E.Nowak, and P.A.Tucker (2002).
Metal binding to porcine pancreatic elastase: calcium or not calcium.

Acta Crystallogr D Biol Crystallogr, 58, 1407-1412.

PDB codes:

1lka 1lkb

10738204

I.Nakanishi, T.Kinoshita, A.Sato, and T.Tada (2000).
Structure of porcine pancreatic elastase complexed with FR901277, a novel macrocyclic inhibitor of elastases, at 1.6 A resolution.

Biopolymers, 53, 434-445.

PDB code:

1qr3

1594574

J.A.Hartsuck, G.Koelsch, and S.J.Remington (1992).
The high-resolution crystal structure of porcine pepsinogen.

Proteins, 13, 1.

PDB code:

3psg

2354062

I.L.de la Sierra, E.Papamichael, C.Sakarellos, J.L.Dimicoli, and T.Prangé (1990).
Interaction of the peptide CF3-Leu-Ala-NH-C6H4-CF3 (TFLA) with porcine pancreatic elastase. X-ray studies at 1.8 A.

J Mol Recognit, 3, 36-44.

PDB codes:

6est 7est

2911584

M.A.Navia, B.M.McKeever, J.P.Springer, T.Y.Lin, H.R.Williams, E.M.Fluder, C.P.Dorn, and K.Hoogsteen (1989).
Structure of human neutrophil elastase in complex with a peptide chloromethyl ketone inhibitor at 1.84-A resolution.

Proc Natl Acad Sci U S A, 86, 7.

PDB code:

1hne

3504964

B.Lesyng, and E.F.Meyer (1987).
Energy minimization and molecular dynamics studies of Asn-102 elastase.

J Comput Aided Mol Des, 1, 211-217.

3663857

L.G.Presta, and E.F.Meyer (1987).
Prediction of protein--ligand interactions: the complex of porcine pancreatic elastase with a valine-derived benzoxazinone.

Biopolymers, 26, 1207-1225.

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.