title: Structural and mechanistic insights into a Bacteroides vulgatus retaining N-acetyl-β-galactosaminidase that uses neighbouring group participation.
abstract: Bacteroides vulgatus is a member of the human microbiota whose abundance is increased in patients with Crohn's disease. We show that a B. vulgatus glycoside hydrolase from the carbohydrate active enzyme family GH123, BvGH123, is an N-acetyl-β-galactosaminidase that acts with retention of stereochemistry, and, through a 3-D structure in complex with Gal-thiazoline, provide evidence in support of a neighbouring group participation mechanism.
authors.affiliation: Department of Chemistry, University of York, Heslington, York, UK. gideon.davies@york.ac.uk.
authors.forename: C
authors.initials: C
authors.lastname: Roth
authors.forename: M
authors.initials: M
authors.lastname: Petricevic
authors.forename: A
authors.initials: A
authors.lastname: John
authors.forename: E D
authors.initials: ED
authors.lastname: Goddard-Borger
authors.forename: G J
authors.initials: GJ
authors.lastname: Davies
authors.forename: S J
authors.initials: SJ
authors.lastname: Williams
mesh_terms: D000117:Acetylglucosamine / Q000031:analogs & derivatives / Q000737:chemistry / Q000378:metabolism; D001439:Bacteroides / Q000201:enzymology*; D001665:Binding Sites; D020134:Catalytic Domain; D003424:Crohn Disease / Q000209:etiology / Q000382:microbiology; D006801:Humans; D056004:Molecular Dynamics Simulation; D013237:Stereoisomerism; D013379:Substrate Specificity; D013844:Thiazoles / Q000737:chemistry / Q000378:metabolism; D048828:beta-N-Acetyl-Galactosaminidase / Q000737:chemistry / Q000378:metabolism*
chemical_list: D013844:Thiazoles; C014124:4-nitrophenyl-N-acetyl-2-deoxyglucopyranoside; D048828:beta-N-Acetyl-Galactosaminidase; D000117:Acetylglucosamine