4xwz

The crystal structure of Fructosyl amine: oxygen oxidoreductase (Amadoriase I) from Aspergillus fumigatus in complex with the substrate fructosyl lysine

spinqualitylabelsall models 4xwz, resolution 1.90Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4xwz is a 2 chain structure with sequence from Aspergillus fumigatus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.9Å Ligands: BDF, FAD, LYS Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function O42629_ASPFM Publication Abstract from PubMed Amadoriases, also known as Fructosyl Amine Oxidases (FAOX), are enzymes that catalyze the de-glycosylation of fructosyl amino acids. As such, they are excellent candidates for the development of enzyme-based diagnostic and therapeutic tools against age- and diabetes-induced protein glycation. However, mostly due to the lack of a complete structural characterization of the different members of the family, the molecular bases of their substrate specificity have yet to be fully understood. The high resolution crystal structures of the free and the substrate-bound form of Amadoriase I shown herein allow for the identification of key structural features that account for the diverse substrate specificity shown by this class of enzymes. This is of particular importance in the context of the rather limited and partially incomplete structural information that has so far been available in the literature on the members of the FAOX family. Moreover, using molecular dynamics simulations, we describe the tunnel conformation and the free energy profile experienced by the ligand in going from bulk water to the catalytic cavity, showing the presence of four gating helices/loops, followed by an "L-shaped" narrow cavity. In summary, the tridimensional architecture of Amadoriase I presented herein provides a reference structural framework for the design of novel enzymes for diabetes monitoring and protein deglycation. This article is protected by copyright. All rights reserved. Crystal structure of the deglycating enzyme amadoriase i in its free form and substrate-bound complex.,Rigoldi F, Gautieri A, Dalle Vedove A, Lucarelli AP, Vesentini S, Parisini E Proteins. 2016 Feb 13. doi: 10.1002/prot.25015. PMID:26873906 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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