5tc9 | pdb_00005tc9

Wild type TrCel7A catalytic domain in a closed state

spinqualitylabelsall models 5tc9, resolution 1.60Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 5tc9 is a 1 chain structure with sequence from Hypocrea jecorina (strain qm6a). Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: GD3, NAG, NO3 NonStd Res: PCA Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed Trichoderma reesei Cel7A efficiently hydrolyses cellulose. We report here the crystallographic structures of the wild-type TrCel7A catalytic domain (CD) in an open state and, for the first time, in a closed state. Molecular dynamics (MD) simulations indicate that the loops along the CD tunnel move in concerted motions. Together, the crystallographic and MD data suggest that the CD cycles between the tense and relaxed forms that are characteristic of work producing enzymes. Analysis of the interactions formed by R251 provides a structural rationale for the concurrent decrease in product inhibition and catalytic efficiency measured for product-binding site mutants. Crystal structures of wild-type Trichoderma reesei Cel7A catalytic domain in open and closed states.,Bodenheimer AM, Meilleur F FEBS Lett. 2016 Dec;590(23):4429-4438. doi: 10.1002/1873-3468.12464. Epub 2016, Nov 7. PMID:27943301 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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