Brand  (β version)

PDB ID: 4Y38

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Ligands
Code Name Style Show Link
0A9 Methyl L-phenylalaninate PoSSuM
ACT Acetate ion PoSSuM
DMS Dimethyl sulfoxide PoSSuM
GOL Glycerol PoSSuM
Non-standard Residues
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Structure summary

Code : 4Y38   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Endothiapepsin in complex with fragment B29
Release Data : 2016-03-02
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 : Huschmann, F.U., Linnik, J., Weiss, M.S., Mueller, U.
Keywords : fragment screening, aspartic protease inhibition, hydrolase
Exp. method : X-RAY DIFFRACTION ( 1.100 Å )
Citation :

Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.

Huschmann, F.U.,Linnik, J.,Sparta, K.  et al.
(2016)  Acta Crystallogr.,Sect.F  72 : 346 - 355

PubMed: 27139825
DOI: 10.1107/S2053230X16004623

Reaction

Chain : A
UniProt : P11838 (CARP_CRYPA)
Reaction: EC: Evidence:
Physiological Direction:
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 -
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