Literature summary for 4.2.1.20 extracted from

Huang, Y.; You, W.; Caulkins, B.; Dunn, M.; Mueller, L.; Chang, C.
Protonation states and catalysis Molecular dynamics studies of intermediates in tryptophan synthase (2016), Protein Sci., 25, 166-183 .

Crystallization (Commentary)

Crystallization (Comment)	Organism
molecular dynamics simulations. The unprotonated pyridine nitrogen can form an H-bond with Ser377, which stabilizes the PLP ring structure. When the pyridoxyl phenolic oxygen is unprotonated, the polar side chain of Gln114 moves toward the negatively charged oxygen, which affects the movements of the water molecules around the active site and induces the switch to the open conformation of the beta subunit. The carboxylate oxygens typically form stable H-bonds with Thr110, Gly111, and His115	Salmonella enterica subsp. enterica serovar Typhimurium

Crystallization (Comment)

Organism

molecular dynamics simulations. The unprotonated pyridine nitrogen can form an H-bond with Ser377, which stabilizes the PLP ring structure. When the pyridoxyl phenolic oxygen is unprotonated, the polar side chain of Gln114 moves toward the negatively charged oxygen, which affects the movements of the water molecules around the active site and induces the switch to the open conformation of the beta subunit. The carboxylate oxygens typically form stable H-bonds with Thr110, Gly111, and His115

Salmonella enterica subsp. enterica serovar Typhimurium

Organism

Organism	UniProt	Comment	Textmining
Salmonella enterica subsp. enterica serovar Typhimurium	P00929	alpha-subunit	-
Salmonella enterica subsp. enterica serovar Typhimurium ATCC 700720	P00929	alpha-subunit	-

Synonyms

Synonyms	Comment	Organism
TrpA	-	Salmonella enterica subsp. enterica serovar Typhimurium

Cofactor

Cofactor	Comment	Organism	Structure
pyridoxal 5'-phosphate	in all intermediates, the unprotonated phosphoryl group with a formal -2 charge serves as the main anchor for the cofactor, maintaining important protein-substrate interactions and allowing for chemical transformations mediated by the functional groups of the PLP and substrates. The unprotonated pyridine nitrogen can form an H-bond with Ser377, which stabilizes the PLP ring structure	Salmonella enterica subsp. enterica serovar Typhimurium

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Release 2023.1 (January 2023)