4u5i

Complex structure of mutant CtCel5E (E314A) with xylobiose

spinqualitylabelsall models 4u5i, resolution 2.50Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4u5i is a 2 chain structure with sequence from Acetivibrio thermocellus ATCC 27405. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.5Å Ligands: PRD_900116, XYP Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function GUNH_ACET2 This enzyme catalyzes the endohydrolysis of 1,4-beta-glucosidic linkages in cellulose, lichenin and cereal beta-D-glucans. Publication Abstract from PubMed We expressed an active form of CtCel5E (a bifunctional cellulase/xylanase from Clostridium thermocellum), performed biochemical characterization, and determinedsolved its apo and ligand-bound crystal structures. From the structures, Asn93, His168, His169, Asn208, Trp347, and Asn349 were shown to provide H-bonding/hydrophobic interactions with both ligands. Compared with to the structures of TmCel5A, a bi-functional cellulase/mannanase homolog from Thermotoga maritima, a flexible loop region in CtCel5E is the key for discriminating substrates. Moreover, site-directed mutagenesis data confirmed that His168 is essential for xylanase activity, His169 is more important for xylanasecellulase activity, Asn349 is only required for cellulase activity, whereas Asn93, Asn208, Tyr270, and Trp347 and Asn349 are critical for both activities. In contrast, F267A improves enzyme activities. Biochemical characterization and structural analysis of a bi-functional cellulase/xylanase from Clostridium thermocellum.,Yuan SF, Wu TH, Lee HL, Hsieh HY, Lin WL, Yang B, Chang CK, Li Q, Gao J, Huang CH, Ho MC, Guo RT, Liang PH J Biol Chem. 2015 Jan 9. pii: jbc.M114.604454. PMID:25575592 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Glucanase 3D structures

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