PDBsum entry 3e0p

Hydrolase

PDB id

3e0p

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Contents

			Protein chain

					246 a.a. *

			Ligands

					B3C


					GOL

			Waters ×206

* Residue conservation analysis

PDB id:

3e0p

Links
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Name:

Hydrolase

Title:

The x-ray structure of human prostasin in complex with a covalent benzoxazole inhibitor

Structure:

Prostasin. Chain: b. Fragment: unp residues 45-305. Synonym: serine protease 8, prostasin light chain, prostasin heavy chain. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: prss8. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108

Resolution:

1.70Å

R-factor:

0.179

R-free:

0.224

Authors:

G.Spraggon,M.Hornsby,A.Shipway,J.L.Harris,S.A.Lesley

Key ref:

D.C.Tully et al. (2008). Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design. Bioorg Med Chem Lett, 18, 5895-5899. PubMed id: 18752942

Date:

31-Jul-08

Release date:

09-Sep-08

PROCHECK

	Headers

	References

Protein chain

Q16651 (PRSS8_HUMAN) - Prostasin from Homo sapiens

Seq: Struc:					343 a.a. 246 a.a.*

Key:

PfamA domain

Secondary structure

CATH domain

* PDB and UniProt seqs differ at 3 residue positions (black crosses)



		Enzyme reactions

Enzyme class:

E.C.3.4.21.- - ?????

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

	Bioorg Med Chem Lett 18:5895-5899 (2008)
PubMed id: 18752942

Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design.
D.C.Tully, A.Vidal, A.K.Chatterjee, J.A.Williams, M.J.Roberts, H.M.Petrassi, G.Spraggon, B.Bursulaya, R.Pacoma, A.Shipway, A.M.Schumacher, H.Danahay, J.L.Harris.

ABSTRACT

Structure-based design was utilized to guide the early stage optimization of a substrate-like inhibitor to afford potent peptidomimetic inhibitors of the channel-activating protease prostasin. The first X-ray crystal structures of prostasin with small molecule inhibitors bound to the active site are also reported.

Literature references that cite this PDB file's key reference

PubMed id

Reference

20507279

T.M.Antalis, M.S.Buzza, K.M.Hodge, J.D.Hooper, and S.Netzel-Arnett (2010).
The cutting edge: membrane-anchored serine protease activities in the pericellular microenvironment.

Biochem J, 428, 325-346.

19388054

G.Spraggon, M.Hornsby, A.Shipway, D.C.Tully, B.Bursulaya, H.Danahay, J.L.Harris, and S.A.Lesley (2009).
Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.

Protein Sci, 18, 1081-1094.

PDB codes:

3e0n 3e1x 3fvf 3gyl 3gym

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 codes are shown on the right.