Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain:

Ligands
Code Name Link
DMS Dimethyl sulfoxide
FBF 4-(trifluoromethyl)benzenecarboximidamide
GOL Glycerol
Code : 3PCW
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Endothiapepsin in complex with a fragment
Release Data : 2011-10-19
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 ( 1.25 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

PubMed: 21972967
DOI: 10.1021/jm200642w

Chain : A
UniProt : P11838 (CARP_CRYPA)
Reaction : 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.