8W0H

Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor (trigonal form)

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, J, O (A, B, C)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
3	E, K, P (A, B, C)	5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine	non-polymer		389.3	3	Chemie (YHQ)
4	F, G, L, M, Q... (A, B, C)	TETRAETHYLENE GLYCOL	non-polymer		194.2	6	Chemie (PG4)
5	H, N, S (A, B, C)	TRIETHYLENE GLYCOL	non-polymer		150.2	3	Chemie (PGE)
6	I (B)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)

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	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	227725.2
Non-Polymers*	Number of molecules	16
	Total formula weight	2986.2
All*	Total formula weight	230711.4

*Water molecules are not included.