3PB5

Endothiapepsin in complex with a fragment

Summary for 3PB5

Entry DOI	10.2210/pdb3pb5/pdb
Related	3PBD 3PBZ 3PCW 3PGI 3PI0 3PLD 3PLL 3PM4 3PMU 3PMY 3POO
Descriptor	Endothiapepsin, N-methyl-1-[5-(pyridin-3-yloxy)furan-2-yl]methanamine, GLYCEROL, ... (4 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	34110.17
Authors	Koester, H.,Heine, A.,Klebe, G. (deposition date: 2010-10-20, release date: 2011-10-19, Last modification date: 2018-03-07)
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 (1.9 Å)

Structure validation