7L4G

Crystal Structure of Acetyl-CoA synthetase in complex with acetyl adenylate 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)
2	D, L, U (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)
3	E, M, N, V (A, B, C)	PHOSPHATE ION	non-polymer		95.0	4	Chemie (PO4)
4	F, G, H, I, J... (A, B, C)	1,2-ETHANEDIOL	non-polymer		62.1	15	Chemie (EDO)
5	Z (C)	POTASSIUM ION	non-polymer		39.1	1	Chemie (K)
6	AA, BA, CA (A, B, C)	water	water		18.0	1026	Chemie (HOH)

Sequence modifications

A, B, C: 2 - 680 (UniProt: J9VFT1)

PDB	External Database	Details
Met -13	-	initiating methionine
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	23
	Total formula weight	2517.8
All*	Total formula weight	234945.0

*Water molecules are not included.