5TS3

Crystal Structure of a 3-oxoacyl-[acyl-carrier protein] Reductase with bound NAD from Brucella melitensis

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Short-chain dehydrogenase/reductase SDR	polymer	273	29110.2	2	UniProt (C0RKU3) Pfam (PF13561) In PDB	Brucella melitensis biotype 2 (strain ATCC 23457)
2	A, B	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
3	A, B	1,2-ETHANEDIOL	non-polymer		62.1	12	Chemie (EDO)
4	A	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	1	Chemie (EPE)
5		water	water		18.0	557	Chemie (HOH)

Sequence modifications

A, B: 1 - 265 (UniProt: C0RKU3)

PDB	External Database	Details
Met -7	-	initiating methionine
Ala -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	58220.5
Non-Polymers*	Number of molecules	15
	Total formula weight	2310.0
All*	Total formula weight	60530.5

*Water molecules are not included.