8e7n

Crystal structure of beluga whale Gammacoronavirus SW1 Mpro with GC-376 captured in two conformational states

spinqualitylabelsall models 8e7n, resolution 1.65Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 8e7n is a 2 chain structure with sequence from Beluga whale coronavirus SW1. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.65Å Ligands: B1S, GOL, K36 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function B2BW31_BWCOV Forms a hexadecamer with nsp7 (8 subunits of each) that may participate in viral replication by acting as a primase. Alternatively, may synthesize substantially longer products than oligonucleotide primers.[ARBA:ARBA00002182] Forms a hexadecamer with nsp8 (8 subunits of each) that may participate in viral replication by acting as a primase. Alternatively, may synthesize substantially longer products than oligonucleotide primers.[ARBA:ARBA00003443] Publication Abstract from PubMed With the spread of SARS-CoV-2 throughout the globe causing the COVID-19 pandemic, the threat of zoonotic transmissions of coronaviruses (CoV) has become even more evident. As human infections have been caused by alpha- and beta-CoVs, structural characterization and inhibitor design mostly focused on these two genera. However, viruses from the delta and gamma genera also infect mammals and pose a potential zoonotic transmission threat. Here, we determined the inhibitor-bound crystal structures of the main protease (M(pro)) from the delta-CoV porcine HKU15 and gamma-CoV SW1 from the beluga whale. A comparison with the apo structure of SW1 M(pro), which is also presented here, enabled the identification of structural arrangements upon inhibitor binding at the active site. The cocrystal structures reveal binding modes and interactions of two covalent inhibitors, PF-00835231 (active form of lufotrelvir) bound to HKU15, and GC376 bound to SW1 M(pro). These structures may be leveraged to target diverse coronaviruses and toward the structure-based design of pan-CoV inhibitors. Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.,Zvornicanin SN, Shaqra AM, Huang QJ, Ornelas E, Moghe M, Knapp M, Moquin S, Dovala D, Schiffer CA, Kurt Yilmaz N Viruses. 2023 Mar 18;15(3):781. doi: 10.3390/v15030781. PMID:36992489 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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