8Q0Z

Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-089)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Endothiapepsin	polymer	330	33813.9	1	UniProt (P11838) Pfam (PF00026) In PDB	Cryphonectria parasitica (chestnut blight fungus)	Aspartate protease
2	A	(3~{R},5~{R})-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol	non-polymer		395.5	2	Chemie (IKW)
3	A	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
4	A	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
5	A	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	1	Chemie (MPD)
6		water	water		18.0	263	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33813.9
Non-Polymers*	Number of molecules	7
	Total formula weight	1183.5
All*	Total formula weight	34997.3

*Water molecules are not included.