4IS2

Crystal structure of the apo form of a 3alpha-hydroxysteroid dehydrogenase (BaiA2) associated with secondary bile acid synthesis from Clostridium scindens VPI12708 at 1.90 A resolution

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Bile acid 3-alpha hydroxysteroid dehydrogenase	polymer	268	29344.9	1	UniProt (P19337) Pfam (PF00106) In PDB	Clostridium scindens
2	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
3		water	water		18.0	101	Chemie (HOH)

Sequence modifications

A: 1 - 249 (UniProt: P19337)

PDB	External Database	Details
Mse -18	-	expression tag
Gly -17	-	expression tag
Ser -16	-	expression tag
Asp -15	-	expression tag
Lys -14	-	expression tag
Ile -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	29344.9
Non-Polymers*	Number of molecules	1
	Total formula weight	35.5
All*	Total formula weight	29380.3

*Water molecules are not included.