Het-PDB Navi2 (PDB: 3PLL)

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Ligands
Code	Name		Style	Show	Link
F06	2-chlorobenzyl carbamimidothioate				PoSSuM
GOL	Glycerol				PoSSuM

Non-standard Residues
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Glycosylation
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Download interaction data: 3PLL

Code :

3PLL PDBj RCSB PDB PDBe

Header :

HYDROLASE/HYDROLASE INHIBITOR

Title :

Endothiapepsin in complex with a fragment

Release Data :

2011-11-02

Compound :

mol_id	molecule	chains	synonym
1	Endothiapepsin	A	Aspartate protease
	ec: 3.4.23.22

Source :

mol_id	organism_scientific	organism_common
1	Cryphonectria parasitica (taxid:5116)	Chesnut blight fungus

Authors :

Koester, H., Heine, A., Klebe, G.

Keywords :

HYDROLASE-HYDROLASE INHIBITOR complex

Exp. method :

X-RAY DIFFRACTION ( 1.73 Å )

Citation :

A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.

Koster, H.,Craan, T.,Brass, S. et al.
(2011) J.Med.Chem. 54 : 7784 - 7796

Chain :

UniProt :

P11838 (CARP_CRYPA)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
Hydrolysis of proteins with specificity similar to that of pepsin A, prefers 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.	3.4.23.22	-
	-	-

PDB ID: 3PLL