Literature summary for 3.1.1.43 extracted from

Zarubina, S.A.; Uporov, I.V.; Fedorchuk, E.A.; Fedorchuk, V.V.; Sklyarenko, A.V.; Yarotsky, S.V.; Tishkov, V.I.
3D Structure modeling of alpha-amino acid ester hydrolase from Xanthomonas rubrilineans (2013), Acta Naturae, 5(4), 62-70.

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Application

Application	Comment	Organism
synthesis	the enzyme is a promising biocatalyst for the production of semi-synthetic beta-lactam antibiotics, penicillins and cephalosporins	Acidovorax avenae

Organism

Organism	UniProt	Comment	Textmining
Acidovorax avenae	Q6YBS3	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
4-hydroxy-D-phenylglycine methyl ester + H2O	-	Acidovorax avenae	4-hydroxy-D-phenylglycine + methanol	-	?
amoxicillin + H2O	-	Acidovorax avenae	D-4-hydroxyphenylglycine amide + 6-aminopenicillanic acid	-	?
ampicillin + H2O	-	Acidovorax avenae	(R)-2-phenylglycine + 6-aminopenicillanic acid	-	?
cephalexin + H2O	-	Acidovorax avenae	D-phenylglycine + 7-aminodesacetoxycephalosporanic acid	-	?
D-phenylglycine methyl ester + H2O	-	Acidovorax avenae	D-phenylglycine + methanol	-	?
additional information	modeling of enzyme complexes with various substrates to determine substrate specificity	Acidovorax avenae	?	-	?

Synonyms

Synonyms	Comment	Organism
AEH	-	Acidovorax avenae
alpha-amino acid ester hydrolase	-	Acidovorax avenae

General Information

General Information	Comment	Organism
additional information	key amino acid residues in the active site are the catalytic triad residues Ser175, His341 and Asp308, residues of the oxyanion hole are Tyr83 and Tyr176, and of the carboxylate cluster are carboxylate groups of Asp209, Glu310 and Asp311. The optimal configuration of residues in the active site occurs with a negative net charge -1 in the carboxylate cluster. Molecular dynamics simulations, docking, and three-dimensional structure homology modeling using the structure of the Xanthomonas campestris enzyme, PDB ID 1MPX, overview	Acidovorax avenae

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Release 2023.1 (January 2023)