4WEC

Crystal structure of a Short chain dehydrogenase from Mycobacterium smegmatis

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 (A, B, C, D)	Short chain dehydrogenase	polymer	278	29171.9	4	UniProt (A0QVJ7) Pfam (PF13561)	Mycobacterium smegmatis	Short-chain dehydrogenase/reductase SDR
2	E, J, O, R (A, B, C, D)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	4	Chemie (NAD)
3	F, M (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	G, K, P, S (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	H, I, L, N, Q... (A, B, C, D)	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
6	U, V, W, X (A, B, C, D)	water	water		18.0	1063	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 257 (UniProt: A0QVJ7)

PDB	External Database	Details
Met -20	-	initiating methionine
Ala -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Met -12	-	expression tag
Gly -11	-	expression tag
Thr -10	-	expression tag
Leu -9	-	expression tag
Glu -8	-	expression tag
Ala -7	-	expression tag
Gln -6	-	expression tag
Thr -5	-	expression tag
Gln -4	-	expression tag
Gly -3	-	expression tag
Pro -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	116687.6
Non-Polymers*	Number of molecules	16
	Total formula weight	3254.1
All*	Total formula weight	119941.7

*Water molecules are not included.