Literature summary for 3.1.1.78 extracted from

Yang, L.; Hill, M.; Wang, M.; Panjikar, S.; Stoeckigt, J.
Structural basis and enzymatic mechanism of the biosynthesis of C9- from C10-monoterpenoid indole alkaloids (2009), Angew. Chem. Int. Ed. Engl., 48, 5211-5213.

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Cloned(Commentary)

Cloned (Comment)	Organism
overexpressed in Escherichia coli	Rauvolfia serpentina

Crystallization (Commentary)

Crystallization (Comment)	Organism
the core domain of PNAE consists of six beta sheets flanked by five alpha helices and the cap domain. The opening of the reaction channel is located in the cap, a region which in contrast to the canonical core of the alpha/beta hydrolases, is structurally highly flexible	Rauvolfia serpentina

Protein Variants

Protein Variants	Comment	Organism
H244A	mutant shows extremely reduced hydrolase activity. Crystal structure of His244Ala in complex with the enzyme product: the indolic part in the molecule interacts with Met113, Phe125, Tyr128, and Lys187. This arrangement enables the alkaloid to be fixed by hydrophobic, sandwichlike interactions providing optimal structural accommodation for catalysis	Rauvolfia serpentina
H86A	mutant shows extremely reduced hydrolase activity. Like Met245, His86 is far from the water molecules in the active center. It might therefore be of structural rather than of catalytic significance	Rauvolfia serpentina
M245A	mutant shows extremely reduced hydrolase activity. Met245 is far from the water molecules in the active center and as the neighbor residue of the catalytic His244, it might therefore be of structural rather than of catalytic significance	Rauvolfia serpentina

Organism

Organism	UniProt	Comment	Textmining
Rauvolfia serpentina	Q9SE93	-	-

Source Tissue

Source Tissue	Comment	Organism	Textmining
cell culture	-	Rauvolfia serpentina	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
polyneuridine aldehyde + H2O	-	Rauvolfia serpentina	16-epivellosimine + CO2 + methanol	-	?

Synonyms

Synonyms	Comment	Organism
PNAE	-	Rauvolfia serpentina

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Release 2023.1 (January 2023)