3PI0

Endothiapepsin in complex with a fragment

Summary for 3PI0

Entry DOI	10.2210/pdb3pi0/pdb
Related	3PB5 3PBD 3PBZ 3PCW 3PCZ 3PGI 3PLD 3PLL 3PM4 3PMU 3PMY
Descriptor	Endothiapepsin, N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine, GLYCEROL, ... (5 entities in total)
Functional Keywords	hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Cryphonectria parasitica (Chesnut blight fungus)
Total number of polymer chains	1
Total formula weight	34318.45
Authors	Koester, H.,Heine, A.,Klebe, G. (deposition date: 2010-11-05, release date: 2011-11-02, Last modification date: 2023-09-06)
Primary citation	Koster, H.,Craan, T.,Brass, S.,Herhaus, C.,Zentgraf, M.,Neumann, L.,Heine, A.,Klebe, G. A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes. J.Med.Chem., 54:7784-7796, 2011 Cited by PubMed: 21972967 DOI: 10.1021/jm200642w PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.64 Å)

Structure validation