PDBsum entry 8q0v

Hydrolase

PDB id: 8q0v

Contents

Protein chain

330 a.a.

Ligands

IKA

DMS ×2

PEG

ACT

Waters ×234

PDB id:

8q0v

Name:

Hydrolase

Title:

Endothiapepsin in complex with ligand (3r,5r)-3-(2-((methyl(prop-2-yn- 1-yl)amino)methyl)thiazol-4-yl)-5-(3-(4-(trifluoromethyl)phenyl)-1,2, 4-oxadiazol-5-yl)pyrrolidin-3-ol (cbws-se-073)

Structure:

Endothiapepsin. Chain: b. Synonym: aspartate protease. Ec: 3.4.23.22

Source:

Cryphonectria parasitica. Chestnut blight fungus. Organism_taxid: 5116

Resolution:

1.28Å R-factor: 0.150 R-free: 0.171

Authors:

J.M.Mueller,S.Eckelt,G.Klebe,S.Glinca

Key ref:

J.M.Mueller Crystal structures of endothiapepsin with ligands der from merged fragment hits. To be published, .

Date:

29-Jul-23 Release date: 07-Aug-24

Protein chain

P11838  (CARP_CRYPA) -  Endothiapepsin from Cryphonectria parasitica

Seq: 419 a.a.

Struc: 330 a.a.

Enzyme reactions

• Enzyme class: E.C.3.4.23.22 - endothiapepsin.
• Reaction: Hydrolysis of proteins with broad specificity similar to that of pepsin A, preferring hydrophobic residues at P1 and P1', but does not cleave 14-Ala-|-Leu-15 in the B chain of insulin or Z-Glu-Tyr. Clots milk.