Literature summary for 2.3.1.220 extracted from

Stewart, C.; Woods, K.; Macias, G.; Allan, A.C.; Hellens, R.P.; Noel, J.P.
Molecular architectures of benzoic acid-specific type III polyketide synthases (2017), Acta Crystallogr. Sect. D, 73, 1007-1019 .

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Crystallization (Commentary)

Crystallization (Comment)	Organism
hanging-drop vapor-diffusion method using buffered protein solutions (10-15 mg/ml) mixed with equal volumes of the reservoir solution and incubated at 4°C. Crystal structures of biphenyl synthase from Malus domestica and benzophenone synthase from Hypericum androsaemum are compared with the structure of an archetypal type III polyketide synthase - chalcone synthase from Malus domestica	Hypericum androsaemum
hanging-drop vapor-diffusion method, incubation at 4°C. Crystal structures of biphenyl synthase from Malusx02domestica and benzophenone synthase from Hypericum androsaemum are compared with the structure of an archetypal type III polyketide synthase: chalcone synthase from Malus domestica. Both biphenyl synthase and benzophenone synthase contain mutations that reshape their active-site cavities to prevent the binding of 4-coumaroyl-CoA and to favor the binding of small hydrophobic substrates. The active-site cavities of biphenyl synthase and benzophenone synthase also contain a novel pocket associated with their chain-elongation and cyclization reactions	Hypericum androsaemum

Crystallization (Comment)

Organism

hanging-drop vapor-diffusion method using buffered protein solutions (10-15 mg/ml) mixed with equal volumes of the reservoir solution and incubated at 4°C. Crystal structures of biphenyl synthase from Malus domestica and benzophenone synthase from Hypericum androsaemum are compared with the structure of an archetypal type III polyketide synthase - chalcone synthase from Malus domestica

Hypericum androsaemum

hanging-drop vapor-diffusion method, incubation at 4°C. Crystal structures of biphenyl synthase from Malusx02domestica and benzophenone synthase from Hypericum androsaemum are compared with the structure of an archetypal type III polyketide synthase: chalcone synthase from Malus domestica. Both biphenyl synthase and benzophenone synthase contain mutations that reshape their active-site cavities to prevent the binding of 4-coumaroyl-CoA and to favor the binding of small hydrophobic substrates. The active-site cavities of biphenyl synthase and benzophenone synthase also contain a novel pocket associated with their chain-elongation and cyclization reactions

Hypericum androsaemum

KM Value [mM]

KM Value [mM]	KM Value Maximum [mM]	Substrate	Comment	Organism	Structure
0.0013	-	benzoyl-CoA	pH 7.0, 37°C	Hypericum androsaemum
0.0028	-	malonyl-CoA	pH 7.0, 37°C	Hypericum androsaemum

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
3 malonyl-CoA + benzoyl-CoA	Hypericum androsaemum	-	4 CoA + 2,4,6-trihydroxybenzophenone + 3 CO2	-	?

Organism

Organism	UniProt	Comment	Textmining
Hypericum androsaemum	Q8SAS8	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
3 malonyl-CoA + benzoyl-CoA	-	Hypericum androsaemum	4 CoA + 2,4,6-trihydroxybenzophenone + 3 CO2	-	?

Synonyms

Synonyms	Comment	Organism
benzophenone synthase	-	Hypericum androsaemum
HaBPS	-	Hypericum androsaemum

Turnover Number [1/s]

Turnover Number Minimum [1/s]	Turnover Number Maximum [1/s]	Substrate	Comment	Organism	Structure
0.018	-	benzoyl-CoA	pH 7.0, 37°C	Hypericum androsaemum
0.0183	-	benzoyl-CoA	pH 7.0, 37°C	Hypericum androsaemum

General Information

General Information	Comment	Organism
evolution	crystal structures of biphenyl synthase from Malus domestica and benzophenone synthase from Hypericum androsaemum are compared with the structure of an archetypal type III polyketide synthase - chalcone synthase from Malus domestica. The results illuminate structural determinants of benzoic acid-specific type III PKSs and expand the understanding of the evolution of specialized metabolic pathways in plants	Hypericum androsaemum

kcat/KM [mM/s]

kcat/KM Value [1/mMs^-1]	kcat/KM Value Maximum [1/mMs^-1]	Substrate	Comment	Organism	Structure
14	-	benzoyl-CoA	pH 7.0, 37°C	Hypericum androsaemum