4L8P

Crystal structure of a bile-acid 7-alpha dehydratase (CLOHIR_00079) from Clostridium hiranonis DSM 13275 at 1.60 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 7a-dehydratase, BaiE	polymer	187	22287.0	1	UniProt (Q9RB47) Pfam (PF13577) In PDB	Clostridium hiranonis DSM 13275
2	A	NICKEL (II) ION	non-polymer		58.7	1	Chemie (NI)
3	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
4	A	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
5	A	PENTAETHYLENE GLYCOL	non-polymer		238.3	1	Chemie (1PE)
6		water	water		18.0	124	Chemie (HOH)

Sequence modifications

A: 1 - 168 (UniProt: Q9RB47)

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	22287.0
Non-Polymers*	Number of molecules	4
	Total formula weight	470.1
All*	Total formula weight	22757.2

*Water molecules are not included.