Literature summary for 2.1.1.364 extracted from

Hu, P.; Zhang, Y.
Ab initio quantum mechanical/molecular mechanical molecular dynamics simulation of enzyme catalysis: the case of histone lysine methyltransferase SET7/9 (2007), J. Phys. Chem. B, 111, 3758-3764.

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Application

Application	Comment	Organism
analysis	ab initio quantum mechanical/molecular mechanical molecular dynamics simulations with the umbrella sampling method to determine free energy profiles for histone lysine methylation catalyzed by SET7/9 and its corresponding uncatalyzed reaction in aqueous solution, activation free energy barrier for the methyl transfer reaction catalyzed by SET7/9 is 22.5 kcal/mol, which agrees with the experimental value of 20.9 kcal/mol very well, SET7/9 lowers the barrier for the methyl-transfer reaction step by 8.4 kcal/mol compared with the uncatalyzed reaction	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	-	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
additional information	SET7/9 plays an essential catalytic role in significantly lowering the barrier for the methyl-transfer reaction step	Homo sapiens	?	-	?

Synonyms

Synonyms	Comment	Organism
histone lysine methyltransferase	-	Homo sapiens
HKMT	-	Homo sapiens
SET7/9	-	Homo sapiens

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Release 2023.1 (January 2023)