5K8F

Crystal structure of Acetyl-CoA Synthetase in complex with ATP and Acetyl-AMP from Cryptococcus neoformans H99

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	polymer	694	77475.8	3	UniProt (J9VFT1) Pfam (PF16177) Pfam (PF00501) Pfam (PF13193)	Cryptococcus neoformans var. grubii serotype A (strain H99 / ATCC 208821 / CBS 10515 / FGSC 9487) (Filobasidiella neoformans var. grubii)
2	D, K, Q (A, B, C)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	3	Chemie (ATP)
3	E, L, R (A, B, C)	[[(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	3	Chemie (6R9)
4	F, M, S, V (A, B, C)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	G, H, I, J, N... (A, B, C)	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
6	W (C)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
7	X, Y, Z (A, B, C)	water	water		18.0	371	Chemie (HOH)

Sequence modifications

A, B, C: 2 - 684 (UniProt: J9VFT1)

PDB	External Database	Details
Met -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
Glu -4	-	expression tag
Asn -3	-	expression tag
Leu -2	-	expression tag
Tyr -1	-	expression tag
Phe 0	-	expression tag
Gln 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	232427.3
Non-Polymers*	Number of molecules	20
	Total formula weight	3440.1
All*	Total formula weight	235867.4

*Water molecules are not included.