5VPS

Crystal structure of an SDR from Burkholderia ambifaria in complex with NADPH with a TCEP adduct

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Short-chain dehydrogenase/reductase SDR	polymer	267	27644.4	1	UniProt (B1YU47) Pfam (PF13561)	Burkholderia ambifaria (strain MC40-6)
2	B (A)	[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]piperidin-4-yl]-tris(3-hydroxy-3-oxopropyl)phosphanium	non-polymer		998.6	1	Chemie (9G1)
3	C, D (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	E (A)	water	water		18.0	358	Chemie (HOH)

Sequence modifications

A: 1 - 259 (UniProt: B1YU47)

PDB	External Database	Details
Met -7	-	expression tag
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	1
	Total formula weight	27644.4
Non-Polymers*	Number of molecules	3
	Total formula weight	1122.8
All*	Total formula weight	28767.2

*Water molecules are not included.