Literature summary for 2.3.3.16 extracted from

Lee, S.H.; Kim, K.J.
Crystal structure and biochemical properties of msed_0281, the citrate synthase from Metallosphaera sedula (2019), Biochem. Biophys. Res. Commun., 509, 722-727 .

Crystallization (Commentary)

Crystallization (Comment)	Organism
structure of the complex with acetyl-CoA, to 1.72 A resolution. Residues His218, His258, and Asp313 are located at the active site. The pantothenic acid part of acetyl-CoA is stabilized by the main chain of Gly255 and side chain of Asp313 by direct and water mediated hydrogen binding networks. The acetyl group in the acetyl-CoA tail is stabilized by two carbonyl group at the main chain of Pro216 and Gly219 through water-mediated hydrogen bonds	Metallosphaera sedula

Crystallization (Comment)

Organism

structure of the complex with acetyl-CoA, to 1.72 A resolution. Residues His218, His258, and Asp313 are located at the active site. The pantothenic acid part of acetyl-CoA is stabilized by the main chain of Gly255 and side chain of Asp313 by direct and water mediated hydrogen binding networks. The acetyl group in the acetyl-CoA tail is stabilized by two carbonyl group at the main chain of Pro216 and Gly219 through water-mediated hydrogen bonds

Metallosphaera sedula

Inhibitors

Inhibitors	Comment	Organism	Structure
ATP	noncompetitive	Metallosphaera sedula
citrate	competitive	Metallosphaera sedula

KM Value [mM]

KM Value [mM]	KM Value Maximum [mM]	Substrate	Comment	Organism	Structure
0.032	-	oxaloacetate	pH not specified in the publication, temperature not specified in the publication	Metallosphaera sedula
0.089	-	acetyl-CoA	pH not specified in the publication, temperature not specified in the publication	Metallosphaera sedula

Organism

Organism	UniProt	Comment	Textmining
Metallosphaera sedula	A4YGX6	-	-
Metallosphaera sedula DSM 5348	A4YGX6	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
acetyl-CoA + H2O + oxaloacetate	-	Metallosphaera sedula	citrate + CoA	-	?
acetyl-CoA + H2O + oxaloacetate	-	Metallosphaera sedula DSM 5348	citrate + CoA	-	?

Turnover Number [1/s]

Turnover Number Minimum [1/s]	Turnover Number Maximum [1/s]	Substrate	Comment	Organism	Structure
6.92	-	oxaloacetate	pH not specified in the publication, temperature not specified in the publication	Metallosphaera sedula
8.51	-	acetyl-CoA	pH not specified in the publication, temperature not specified in the publication	Metallosphaera sedula

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
2.4	-	citrate	pH not specified in the publication, temperature not specified in the publication	Metallosphaera sedula
8.93	-	ATP	pH not specified in the publication, temperature not specified in the publication	Metallosphaera sedula