7WBC

Hydroxysteroid dehydrogenase wild-type complexed with NAD+ and (4S)-2-2-methyl-2,4-pentanediol

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	SDR family NAD(P)-dependent oxidoreductase	polymer	258	27431.0	2	UniProt (A0A7U2VFT3) Pfam (PF13561) UniProt (by SIFTS) (A0A098BU97)	Rhodococcus ruber	SDR family oxidoreductase
2	C, I (A, B)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	2	Chemie (MPD)
3	D, H (A, B)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
4	E, F, K, L (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
5	G, M (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
6	J (B)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
7	N, O (A, B)	water	water		18.0	335	Chemie (HOH)

Sequence modifications

A, B: 1 - 250 (UniProt: A0A7U2VFT3)

PDB	External Database	Details
Met -7	-	initiating methionine
Gly -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	54862.0
Non-Polymers*	Number of molecules	11
	Total formula weight	1986.6
All*	Total formula weight	56848.6

*Water molecules are not included.