8EPS

Crystal Structure of Acetyl-CoA synthetase in complex with an allyl 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	5'-O-{(S)-hydroxy[(prop-2-en-1-yl)oxy]phosphoryl}adenosine	non-polymer		387.3	3	Chemie (WPO)
3		water	water		18.0	204	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	3
	Total formula weight	1161.9
All*	Total formula weight	233589.1

*Water molecules are not included.