Literature summary for 1.2.1.12 extracted from

Reis, M.; Alves, C.N.; Lameira, J.; Tunon, I.; Marti, S.; Moliner, V.
The catalytic mechanism of glyceraldehyde 3-phosphate dehydrogenase from Trypanosoma cruzi elucidated via the QM/MM approach (2013), Phys. Chem. Chem. Phys., 15, 3772-3785.

Crystallization (Commentary)

Crystallization (Comment)	Organism
molecular dynamics simulations based on PDB entry 1K3T. The first stage of the reaction (oxidoreduction) takes place in the Pi site (energetically more favourable), with the formation of oxyanion thiohemiacetal and thioacylenzyme intermediates without acid-base assistance of His194. Residue Arg249 has an important role in the ability of the enzyme to bind the glyceraldehyde 3-phosphatesubstrate, which interacts with NAD+ and other important residues, such as Cys166, Glu109, Thr167, Ser247 and Thr226, in the GAPDH active site	Trypanosoma cruzi

Crystallization (Comment)

Organism

molecular dynamics simulations based on PDB entry 1K3T. The first stage of the reaction (oxidoreduction) takes place in the Pi site (energetically more favourable), with the formation of oxyanion thiohemiacetal and thioacylenzyme intermediates without acid-base assistance of His194. Residue Arg249 has an important role in the ability of the enzyme to bind the glyceraldehyde 3-phosphatesubstrate, which interacts with NAD+ and other important residues, such as Cys166, Glu109, Thr167, Ser247 and Thr226, in the GAPDH active site

Trypanosoma cruzi

Inhibitors

Inhibitors	Comment	Organism	Structure
(3-[(4-nitrophenoxy)carbonyl]but-3-en-1-yl)phosphonic acid	-	Trypanosoma cruzi
3-(p-nitrophenoxycarboxyl)-3-ethylene propyl dihydroxyphosphinate	propyl dihydroxyphosphonate analogue of substrate glyceraldehyde 3-phosphate. The energy profiles correspond to the nucleophilic attack of Cys166 on the atom C1 of the carbonyl group of the inhibitor. The barrier for the inhibition reaction is lower than that observed for a natural substrate	Trypanosoma cruzi

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
D-glyceraldehyde 3-phosphate + phosphate + NAD+	Trypanosoma cruzi	-	3-phospho-D-glyceroyl phosphate + NADH + H+	-	?

Organism

Organism	UniProt	Comment	Textmining
Trypanosoma cruzi	-	-	-
Trypanosoma cruzi	P22513	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
D-glyceraldehyde 3-phosphate + phosphate + NAD+	-	Trypanosoma cruzi	3-phospho-D-glyceroyl phosphate + NADH + H+	-	?

Synonyms

Synonyms	Comment	Organism
GAPDH	-	Trypanosoma cruzi

Cofactor

Cofactor	Comment	Organism	Structure
NAD+	-	Trypanosoma cruzi