8G0T

Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopropyl 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	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
3	A, B, C	5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine	non-polymer		387.3	3	Chemie (YHK)
4		water	water		18.0	60	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	6
	Total formula weight	1348.1
All*	Total formula weight	233775.3

*Water molecules are not included.