Literature summary for 2.3.1.129 extracted from

Pratap, S.; Kesari, P.; Yadav, R.; Dev, A.; Narwal, M.; Kumar, P.
Acyl chain preference and inhibitor identification of Moraxella catarrhalis LpxA Insight through crystal structure and computational studies (2017), Int. J. Biol. Macromol., 96, 759-765 .

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Cloned(Commentary)

Cloned (Comment)	Organism
expression in Escherichia coli	Moraxella catarrhalis

Crystallization (Commentary)

Crystallization (Comment)	Organism
the residues D69, L70, K71, H117, H120,G138, H139, Q156 from one chain and N193, R199 from the adjacent chain form the active site and play crucial role in substrate positioningand catalysis	Moraxella catarrhalis

Inhibitors

Inhibitors	Comment	Organism	Structure
1-benzoyl-2-(1H-indol-3-ylmethyl)-4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-3-piperidinol	binding energy score of 4.01. In docked pose, the pyrrolidine ring of the molecule is positioned along H120 of chain A and the indole ring is placed towards chain E. It forms hydrogen bonds with H120 (NE atom) and Q156 (OE1 atom), G139 (N backbone) from chain A and G150 (N backbone) of chain E	Moraxella catarrhalis
3-((3-(((3,4-dichlorophenoxy)acetyl)amino)-15-pyridin-1-yl)methyl)benzenesulfonyl fluoride	binding energy score of 4.4. The dichlorophenoxy-acetyl-amino group occupies a position similar to that of the uridine moiety of the nucleotide substrate. The chlorine atom forms hydrophobic interactions with I147, M165 and V129 of chain E whereas the sulfur group forms pi-sulfur interaction with H120 of chain A	Moraxella catarrhalis
erythroskyrin	binding energy score of ?4.17, spans between two subunits of LpxA interacting with Q68 (OE1 and OE2 atom), L70 (N backbone) and H120 (NE2 atom) of chain A and G196 (backbone O), K200 (NZ atom) of chain E	Moraxella catarrhalis

Molecular Weight [Da]

Molecular Weight [Da]	Molecular Weight Maximum [Da]	Comment	Organism
84000	-	gel filtration	Moraxella catarrhalis

Organism

Organism	UniProt	Comment	Textmining
Moraxella catarrhalis	D5VAW8	-	-
Moraxella catarrhalis BBH18	D5VAW8	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
(R)-3-hydroxydodecanoyl-[acyl-carrier protein] + UDP-N-acetyl-alpha-D-galactosamine	-	Moraxella catarrhalis	[acyl-carrier protein] + UDP-3-O-(3-hydroxydodecanoyl)-N-acetyl-alpha-D-galactosamine	-	?
(R)-3-hydroxydodecanoyl-[acyl-carrier protein] + UDP-N-acetyl-alpha-D-galactosamine	-	Moraxella catarrhalis BBH18	[acyl-carrier protein] + UDP-3-O-(3-hydroxydodecanoyl)-N-acetyl-alpha-D-galactosamine	-	?
(R)-3-hydroxydodecanoyl-[acyl-carrier protein] + UDP-N-acetyl-alpha-D-glucosamine	-	Moraxella catarrhalis	[acyl-carrier protein] + UDP-3-O-(3-hydroxydodecanoyl)-N-acetyl-alpha-D-glucosamine	-	?
(R)-3-hydroxydodecanoyl-[acyl-carrier protein] + UDP-N-acetyl-alpha-D-glucosamine	-	Moraxella catarrhalis BBH18	[acyl-carrier protein] + UDP-3-O-(3-hydroxydodecanoyl)-N-acetyl-alpha-D-glucosamine	-	?
additional information	LpxA displays better binding affinity with UDP-GlcNAc than with UDP-GalNAc. Binding of UDP-GlcNActo LpxA is driven by a very favorable enthalpy change(DeltaH = ?6.03 kcal/mol) with a dissociation constant of 22.62 microM. One monomer of McLpxA binds to one molecule ofUDP-GlcNAc	Moraxella catarrhalis	?	-	-
additional information	LpxA displays better binding affinity with UDP-GlcNAc than with UDP-GalNAc. Binding of UDP-GlcNActo LpxA is driven by a very favorable enthalpy change(DeltaH = ?6.03 kcal/mol) with a dissociation constant of 22.62 microM. One monomer of McLpxA binds to one molecule ofUDP-GlcNAc	Moraxella catarrhalis BBH18	?	-	-

Subunits

Subunits	Comment	Organism
trimer	3 * 28000, calculated from sequence	Moraxella catarrhalis

Synonyms

Synonyms	Comment	Organism
LpxA	-	Moraxella catarrhalis

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Release 2023.1 (January 2023)