7KNO

Crystal structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate from Cryptococcus neoformans var. grubii serotype A (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, J, P (A, B, C)	5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine	non-polymer		375.3	3	Chemie (WTA)
3	E, H, I, K, L... (A, B, C)	1,2-ETHANEDIOL	non-polymer		62.1	8	Chemie (EDO)
4	F, G, N, O, S (A, B, C)	PHOSPHATE ION	non-polymer		95.0	5	Chemie (PO4)
5	T, U, V (A, B, C)	water	water		18.0	1735	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	16
	Total formula weight	2097.2
All*	Total formula weight	234524.5

*Water molecules are not included.