5K85

Crystal Structure of Acetyl-CoA Synthetase in Complex with Adenosine-5'-propylphosphate and Coenzyme A 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	Acetyl-coenzyme A synthetase	polymer	694	77475.8	3	UniProt (J9VFT1) Pfam (PF16177) Pfam (PF00501) Pfam (PF13193) In PDB	Cryptococcus neoformans var. grubii serotype A (strain H99 / ATCC 208821 / CBS 10515 / FGSC 9487)
2	A, B, C	ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER	non-polymer		389.3	3	Chemie (PRX)
3	A, B, C	1,2-ETHANEDIOL	non-polymer		62.1	10	Chemie (EDO)
4	B	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
5	C	COENZYME A	non-polymer		767.5	1	Chemie (COA)
6		water	water		18.0	741	Chemie (HOH)

Sequence modifications

A, B, C: 2 - 684 (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	15
	Total formula weight	2651.1
All*	Total formula weight	235078.3

*Water molecules are not included.