6UH4

B. theta Bile Salt Hydrolase with covalent inhibitor

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	Choloylglycine hydrolase	polymer	336	37962.2	4	UniProt (A0A0P0ENF5) Pfam (PF02275) In PDB	Bacteroides thetaiotaomicron	Penicillin amidase Cysteine peptidase. MEROPS family C59
2	B	(5R,6R)-6-[(1S,2R,4aS,4bS,7R,8aS,10R,10aS)-7,10-dihydroxy-1,2,4b-trimethyltetradecahydrophenanthren-2-yl]-5-methylheptan-2-one	non-polymer		392.6	1	Chemie (QC7)

Sequence modifications

A, B, C, D: 2 - 328 (UniProt: A0A0P0ENF5)

PDB	External Database	Details
Met 1	-	initiating methionine
Leu 329	-	expression tag
Glu 330	-	expression tag
His 331	-	expression tag
His 332	-	expression tag
His 333	-	expression tag
His 334	-	expression tag
His 335	-	expression tag
His 336	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	151848.8
Non-Polymers*	Number of molecules	1
	Total formula weight	392.6
All*	Total formula weight	152241.4

*Water molecules are not included.