5lc0 | pdb_00005lc0

Crystal structure of Zika virus NS2B-NS3 protease in complex with a boronate inhibitor

spinqualitylabelsall models 5lc0, resolution 2.70Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 5lc0 is a 2 chain structure with sequence from Zikv. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 6T8 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed The ongoing Zika virus (ZIKV) outbreak is linked to severe neurological disorders. ZIKV relies on its NS2B/NS3 protease for polyprotein processing; hence, this enzyme is an attractive drug target. The 2.7 A crystal structure of ZIKV protease in complex with a peptidomimetic boronic-acid inhibitor reveals a cyclic diester between the boronic acid and glycerol. The P2 4-aminomethylphenylalanine moiety of the inhibitor forms a salt-bridge with the non-conserved Asp83 of NS2B, Ion-pairing between Asp83 and the P2 residue of the substrate likely accounts for the enzyme's high catalytic efficiency. The unusual dimer of the ZIKV protease:inhibitor complex seen in the crystal may provide a model for assemblies formed at high local concentrations of protease at the endoplasmatic reticulum membrane, the site of polyprotein processing. Crystal structure of Zika virus NS2B-NS3 protease in complex with a boronate inhibitor.,Lei J, Hansen G, Nitsche C, Klein CD, Zhang L, Hilgenfeld R Science. 2016 Jul 7. pii: aag2419. PMID:27386922 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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