Literature summary for 3.2.1.25 extracted from

Tailford, L.E.; Offen, W.A.; Smith, N.L.; Dumon, C.; Morland, C.; Gratien, J.; Heck, M.P.; Stick, R.V.; Bleriot, Y.; Vasella, A.; Gilbert, H.J.; Davies, G.J.
Structural and biochemical evidence for a boat-like transition state in beta-mannosidases (2008), Nat. Chem. Biol., 4, 306-312.

Crystallization (Commentary)

Crystallization (Comment)	Organism
wild-type in complex with inhibitors (5S,6R,8R)-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol, N-[(2Z,3R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]ethane-1,2-diaminium, noeuromycin, isoquinuclidine, mutants Q646A, Y537A, N461A, W198G, W345A and W645A in complex with (5S,6R,8R)-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol	Bacteroides thetaiotaomicron

Crystallization (Comment)

Organism

wild-type in complex with inhibitors (5S,6R,8R)-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol, N-[(2Z,3R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]ethane-1,2-diaminium, noeuromycin, isoquinuclidine, mutants Q646A, Y537A, N461A, W198G, W345A and W645A in complex with (5S,6R,8R)-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

Bacteroides thetaiotaomicron

Protein Variants

Protein Variants	Comment	Organism
N461A	crystallization data. Involved either in hydrogen bonding to the ligands or in the maintenance of the hydrophilic sheath around the ligand	Bacteroides thetaiotaomicron
Q646A	crystallization data. Involved either in hydrogen bonding to the ligands or in the maintenance of the hydrophilic sheath around the ligand	Bacteroides thetaiotaomicron
W198G	crystallization data. Involved either in hydrogen bonding to the ligands or in the maintenance of the hydrophilic sheath around the ligand	Bacteroides thetaiotaomicron
W345A	crystallization data. Involved either in hydrogen bonding to the ligands or in the maintenance of the hydrophilic sheath around the ligand	Bacteroides thetaiotaomicron
W645A	crystallization data. Involved either in hydrogen bonding to the ligands or in the maintenance of the hydrophilic sheath around the ligand	Bacteroides thetaiotaomicron
Y537A	crystallization data. Involved either in hydrogen bonding to the ligands or in the maintenance of the hydrophilic sheath around the ligand	Bacteroides thetaiotaomicron

Inhibitors

Inhibitors	Comment	Organism
(5S,6R,8R)-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol	persuasive transition state mimic	Bacteroides thetaiotaomicron
(5S,6R,8R)-5-(hydroxymethyl)-2-(phenoxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol	persuasive transition state mimic	Bacteroides thetaiotaomicron
(5S,6R,8R)-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol	persuasive transition state mimic	Bacteroides thetaiotaomicron
isoquinuclidine	-	Bacteroides thetaiotaomicron
N-[(2Z,3R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]ethane-1,2-diaminium	-	Bacteroides thetaiotaomicron
N-[(2Z,3R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]propan-1-aminium	-	Bacteroides thetaiotaomicron
noeuromycin	-	Bacteroides thetaiotaomicron

Organism

Organism	UniProt	Comment	Textmining
Bacteroides thetaiotaomicron	Q8AAK6	-	-

Reaction

Reaction	Comment	Organism	Reaction ID
Manbeta1-4GlcNAcbeta(1-4)GlcNAcbeta-Asn + H2O = GlcNAc-(1-4)-beta-GlcNAc-Asn + beta-D-mannopyranose	substrate adopts a B2,5 transition state	Bacteroides thetaiotaomicron	a

Synonyms

Synonyms	Comment	Organism
Man2A	-	Bacteroides thetaiotaomicron

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism
0.000057	-	(5S,6R,8R)-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol	pH 5.6	Bacteroides thetaiotaomicron
0.000072	-	(5S,6R,8R)-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol	pH 5.6	Bacteroides thetaiotaomicron
0.000401	-	(5S,6R,8R)-5-(hydroxymethyl)-2-(phenoxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol	pH 5.6	Bacteroides thetaiotaomicron
0.000975	-	noeuromycin	pH 5.6	Bacteroides thetaiotaomicron
0.001	-	N-[(2Z,3R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]ethane-1,2-diaminium	pH 5.6	Bacteroides thetaiotaomicron
0.0019	-	N-[(2Z,3R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]propan-1-aminium	pH 5.6	Bacteroides thetaiotaomicron