Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain:

Ligands
Code Name Link
0QS N~2~-[(2r)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1r)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1h-imidazol-3-ium-4-yl)-L-alaninamide
SO4 Sulfate ion
Modified Residues
Code Name Link
SUI (3-amino-2,5-dioxo-1-pyrrolidinyl)acetic acid
Code : 2JJI
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Endothiapepsin in complex with a gem-diol inhibitor.
Release Data : 2008-05-27
Compound :
mol_id molecule chains synonym
1 ENDOTHIAPEPSIN A ASPARTATE PROTEASE
ec: 3.4.23.22
other_details: SUCCINAMIDE IS FORMED BETWEEN CHAIN A RESIDUES 54 AND 55. SIMILAR TO PDB 1GKT. FORMULA WEIGHT 33814.2
Source :
mol_id organism_scientific organism_common
1 CRYPHONECTRIA PARASITICA  (taxid:5116) CHESNUT BLIGHT FUNGUS
other_details: ENDOTHIA PARASITICA
Authors : Coates, L., Tuan, H.-F., Tomanicek, S.J., Kovalevsky, A., Mustyakimov, M., Erskine, P., Cooper, J.
Keywords : ACID PROTEINASE, ASPARTYL PROTEASE, ZYMOGEN, HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Exp. method : X-RAY DIFFRACTION ( 1.57 Å )
Citation :

The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction

Coates, L.,Tuan, H.-F.,Tomanicek, S.J.  et al.
(2008)  J.Am.Chem.Soc.  130 : 7235

PubMed: 18479128
DOI: 10.1021/JA801269X

Preliminary Neutron and Ultrahigh-Resolution X-Ray Diffraction Studies of the Aspartic Proteinase Endothiapepsin Cocrystallized with a Gem-Diol Inhibitor.

Tuan, H.-F.,Erskine, P.,Langan, P.  et al.
(2007)  Acta Crystallogr.,Sect.F  63 : 1080

PubMed: 18084100
DOI: 10.1107/S1744309107061283

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.