4ozo

Crystal structure of an a-L-fucosidase GH29 from Bacteroides thetaiotaomicron (BT2192) in complex with oNPTG

spinqualitylabelsall models 4ozo, resolution 2.60Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4ozo is a 2 chain structure with sequence from Bactn. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: GOL, OTN Related: 4oue Gene: BT_2192 (BACTN) Activity: 1,3-alpha-L-fucosidase, with EC number 3.2.1.111 Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed Glycosyl hydrolase (GH) family 29 (CAZy database) consists of retaining alpha-l-fucosidases. We have identified BT2192, a protein from Bacteroides thetaiotaomicron, as the first GH29 representative exhibiting both weak alpha-l-fucosidase and beta-d-galactosidase activities. Determination and analysis of X-ray structures of BT2192 in complex with beta-d-galactoside competitive inhibitors showed a new binding mode different from that of known GH29 enzymes. Three point mutations, specific to BT2192, prevent the canonical GH29 substrate alpha-l-fucose from binding efficiently to the fucosidase-like active site relative to other GH29 enzymes. beta-d-Galactoside analogues bind and interact in a second pocket, which is not visible in other reported GH29 structures. Molecular simulations helped in the assessment of the flexibility of both substrates in their respective pocket. Hydrolysis of the fucosyl moiety from the putative natural substrates like 3-fucosyllactose or LewisX antigen would be mainly due to the efficient interactions with the galactosyl moiety, in the second binding site, located more than 6-7 A apart. Unraveling the Substrate Recognition Mechanism and Specificity of the Unusual Glycosyl Hydrolase Family 29 BT2192 from Bacteroides thetaiotaomicron.,Guillotin L, Lafite P, Daniellou R Biochemistry. 2014 Feb 27. PMID:24527659 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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