8BIT

Crystal structure of acyl-CoA synthetase from Metallosphaera sedula in complex with Coenzyme A and acetyl-AMP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B, A	4-hydroxybutyrate--CoA ligase 1	polymer	570	65224.6	2	UniProt (A4YDT1) Pfam (PF00501) Pfam (PF13193) In PDB	Metallosphaera sedula DSM 5348	Acetate--CoA ligase,Butyrate--CoA ligase,Propionate--CoA ligase
2	B, A	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate	non-polymer		389.3	2	Chemie (6R9)
3	B, A	COENZYME A	non-polymer		767.5	2	Chemie (COA)

Sequence modifications

B, A: 8 - 570 (UniProt: A4YDT1)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	130449.2
Non-Polymers*	Number of molecules	4
	Total formula weight	2313.6
All*	Total formula weight	132762.8

*Water molecules are not included.