8G0U

Crystal Structure of Acetyl-CoA synthetase in complex with an isopropyl ester AMP inhibitor 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 (A0A854QMN0) Pfam (PF16177) Pfam (PF00501) Pfam (PF13193) UniProt (by SIFTS) (J9VFT1) In PDB	Cryptococcus neoformans
2	A, B, C	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
3	A, B, C	5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine	non-polymer		389.3	3	Chemie (YHQ)
4		water	water		18.0	979	Chemie (HOH)

Sequence modifications

A, B, C: 2 - 680 (UniProt: A0A854QMN0)

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	9
	Total formula weight	1540.3
All*	Total formula weight	233967.6

*Water molecules are not included.