8ESI

Bile Salt Hydrolase from B. longum with covalent inhibitor bound

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E...	Conjugated bile acid hydrolase	polymer	317	35186.0	8	UniProt (Q9KK62) Pfam (PF02275) In PDB	Bifidobacterium longum	Bile salt hydrolase,BSH,Chenodeoxycholoyltaurine hydrolase,Choloylglycine hydrolase
2	A, B, C, D, E...	(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name)	non-polymer		472.7	8	Chemie (WSR)
3		water	water		18.0	136	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	281487.8
Non-Polymers*	Number of molecules	8
	Total formula weight	3781.2
All*	Total formula weight	285269.0

*Water molecules are not included.