Literature summary for 2.7.7.23 extracted from

Mochalkin, I.; Lightle, S.; Narasimhan, L.; Bornemeier, D.; Melnick, M.; Vanderroest, S.; McDowell, L.
Structure of a small-molecule inhibitor complexed with GlmU from Haemophilus influenzae reveals an allosteric binding site (2008), Protein Sci., 17, 577-582.

Cloned(Commentary)

Cloned (Comment)	Organism
expressed in Escherichia coli	Haemophilus influenzae

Crystallization (Commentary)

Crystallization (Comment)	Organism
a 1.9 A resolution crystal structure of a synthetic small-molecule inhibitor (4-chloro-N-(3-methoxypropyl)-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide) of GlmU is presented. The determined crystal structure indicate that the inhibitor occupies an allosteric site adjacent to the GlcNAc-1-P substrate-binding region, thus, preventing structural rearrangements that are required for the enzymatic reaction	Haemophilus influenzae

Crystallization (Comment)

Organism

a 1.9 A resolution crystal structure of a synthetic small-molecule inhibitor (4-chloro-N-(3-methoxypropyl)-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide) of GlmU is presented. The determined crystal structure indicate that the inhibitor occupies an allosteric site adjacent to the GlcNAc-1-P substrate-binding region, thus, preventing structural rearrangements that are required for the enzymatic reaction

Haemophilus influenzae

Inhibitors

Inhibitors	Comment	Organism
4-chloro-N-(3-methoxypropyl)-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide	a 1.9 A resolution crystal structure of this synthetic small-molecule inhibitor of GlmU is presented. The determined crystal structure indicates that the inhibitor occupies an allosteric site adjacent to the GlcNAc-1-P substrate-binding region, thus, preventing structural rearrangements that are required for the enzymatic reaction	Haemophilus influenzae
4-chloro-N-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-(3-methoxypropyl)benzamide	-	Haemophilus influenzae
4-chloro-N-[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]-N-(3-methoxypropyl)benzamide	-	Haemophilus influenzae
4-chloro-N-[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-(3-methoxypropyl)benzamide	-	Haemophilus influenzae
4-fluoro-N-(3-methoxypropyl)-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide	-	Haemophilus influenzae

Metals/Ions

Metals/Ions	Comment	Organism	Structure
Mg2+	-	Haemophilus influenzae

Organism

Organism	UniProt	Comment	Textmining
Haemophilus influenzae	P43889	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
UTP + N-acetylglucosamine 1-phosphate	-	Haemophilus influenzae	diphosphate + UDP-N-acetyl-D-glucosamine	-	?

Synonyms

Synonyms	Comment	Organism
hiGlmU	-	Haemophilus influenzae

pH Optimum

pH Optimum Minimum	pH Optimum Maximum	Comment	Organism
7.5	-	assay at	Haemophilus influenzae

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor
0.018	-	-	Haemophilus influenzae	4-chloro-N-(3-methoxypropyl)-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
0.02	-	-	Haemophilus influenzae	4-fluoro-N-(3-methoxypropyl)-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
0.089	-	-	Haemophilus influenzae	4-chloro-N-[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-(3-methoxypropyl)benzamide
0.1	-	value above	Haemophilus influenzae	4-chloro-N-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-(3-methoxypropyl)benzamide
0.1	-	value above	Haemophilus influenzae	4-chloro-N-[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]-N-(3-methoxypropyl)benzamide