Literature summary for 2.5.1.111 extracted from

Bayse, C.A.; Merz, K.M.
Mechanistic insights into Mg2+-independent prenylation by CloQ from classical molecular mechanics and hybrid quantum mechanics/molecular mechanics molecular dynamics simulations (2014), Biochemistry, 53, 5034-5041.

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Crystallization (Commentary)

Crystallization (Comment)	Organism
molecular mechanics and hybrid quantum mechanics/molecular mechanics molecular dynamics simulations. Positively charged basic residues line the inside of the beta-barrel of CloQ to activate the diphosphate leaving group to replace the function of the Mg(2+) cofactor in other APTases. The effect of the replacement of the Mg(2+) cofactor with basic residues yields a similar activation barrier for prenylation to Mg(2+)-dependent APTases like NphB. The topology of the binding pocket for 4-hydroxyphenylpyruvate is important for selective prenylation at the ortho position of the ring. Methylation at this position alters the conformation of the substrate for O-prenylation at the phenol group	Streptomyces roseochromogenus subsp. oscitans

Crystallization (Comment)

Organism

molecular mechanics and hybrid quantum mechanics/molecular mechanics molecular dynamics simulations. Positively charged basic residues line the inside of the beta-barrel of CloQ to activate the diphosphate leaving group to replace the function of the Mg(2+) cofactor in other APTases. The effect of the replacement of the Mg(2+) cofactor with basic residues yields a similar activation barrier for prenylation to Mg(2+)-dependent APTases like NphB. The topology of the binding pocket for 4-hydroxyphenylpyruvate is important for selective prenylation at the ortho position of the ring. Methylation at this position alters the conformation of the substrate for O-prenylation at the phenol group

Streptomyces roseochromogenus subsp. oscitans

Protein Variants

Protein Variants	Comment	Organism
E281G	molecular dynamics simulations	Streptomyces roseochromogenus subsp. oscitans
F68S	molecular dynamics simulations	Streptomyces roseochromogenus subsp. oscitans

Organism

Organism	UniProt	Comment	Textmining
Streptomyces roseochromogenus subsp. oscitans	Q8GHB2	-	-

Synonyms

Synonyms	Comment	Organism
CloQ	-	Streptomyces roseochromogenus subsp. oscitans

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Release 2023.1 (January 2023)