8G0S

Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopentyl ester AMP inhibitor from Cryptococcus neoformans H99 (tetragonal form)

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 (A0A854QMN0) Pfam (PF16177) Pfam (PF00501) Pfam (PF13193) UniProt (by SIFTS) (J9VFT1)	Cryptococcus neoformans
2	D, F, H (A, B, C)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
3	E, G, I (A, B, C)	5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine	non-polymer		415.3	3	Chemie (YHF)
4	J (A)	water	water		18.0	2	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	1352.4
All*	Total formula weight	233779.6

*Water molecules are not included.