8V4P

Crystal structure of Acetyl-CoA synthetase 2 in complex with Adenosine-5'-allylphosphate from Candida albicans

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 (A, B, C)	Acetyl-coenzyme A synthetase 2	polymer	686	75908.4	3	UniProt (Q8NJN3) Pfam (PF16177) Pfam (PF00501) Pfam (PF13193)	Candida albicans
2	D, E, F, G, H... (A, B)	SULFATE ION	non-polymer		96.1	11	Chemie (SO4)
3	J, K, T (A, B)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
4	L, M, U, W, X (A, B, C)	5'-O-{(S)-hydroxy[(prop-2-en-1-yl)oxy]phosphoryl}adenosine	non-polymer		387.3	5	Chemie (WPO)
5	N, V (A, B)	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
6	AA, Y, Z (C, A, B)	water	water		18.0	366	Chemie (HOH)

Sequence modifications

A, B, C: 17 - 686 (UniProt: Q8NJN3)

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
His 8	-	expression tag
His 9	-	expression tag
Glu 10	-	expression tag
Asn 11	-	expression tag
Leu 12	-	expression tag
Tyr 13	-	expression tag
Phe 14	-	expression tag
Gln 15	-	expression tag
Gly 16	-	expression tag
Ala 403	Val 388	variant

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	227725.2
Non-Polymers*	Number of molecules	21
	Total formula weight	3487.9
All*	Total formula weight	231213.1

*Water molecules are not included.