7uxz | pdb_00007uxz

Crystal structure of SARS-CoV-2 nucleocapsid protein C-terminal domain complexed with Chicoric acid

spinqualitylabelsall models 7uxz, resolution 1.73Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 7uxz is a 6 chain structure with sequence from Severe acute respiratory syndrome coronavirus 2. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: CL, GKP, GOL, NA, PEG Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function NCAP_SARS2 Packages the positive strand viral genome RNA into a helical ribonucleocapsid (RNP) and plays a fundamental role during virion assembly through its interactions with the viral genome and membrane protein M. Plays an important role in enhancing the efficiency of subgenomic viral RNA transcription as well as viral replication. Publication Abstract from PubMed The nucleocapsid (N) protein plays critical roles in coronavirus genome transcription and packaging, representing a key target for the development of novel antivirals, and for which structural information on ligand binding is scarce. We used a novel fluorescence polarization assay to identify small molecules that disrupt the binding of the N protein to a target RNA derived from the SARS-CoV-2 genome packaging signal. Several phenolic compounds, including L-chicoric acid (CA), were identified as high-affinity N-protein ligands. The binding of CA to the N protein was confirmed by isothermal titration calorimetry, (1)H-STD and (15)N-HSQC NMR, and by the crystal structure of CA bound to the N protein C-terminal domain (CTD), further revealing a new modulatory site in the SARS-CoV-2 N protein. Moreover, CA reduced SARS-CoV-2 replication in cell cultures. These data thus open venues for the development of new antivirals targeting the N protein, an essential and yet underexplored coronavirus target. Discovery and structural characterization of chicoric acid as a SARS-CoV-2 nucleocapsid protein ligand and RNA binding disruptor.,Mercaldi GF, Bezerra EHS, Batista FAH, Tonoli CCC, Soprano AS, Shimizu JF, Nagai A, da Silva JC, Filho HVR, do Nascimento Faria J, da Cunha MG, Zeri ACM, Nascimento AFZ, Proenca-Modena JL, Bajgelman MC, Rocco SA, Lopes-de-Oliveira PS, Cordeiro AT, Bruder M, Marques RE, Sforca ML, Franchini KG, Benedetti CE, Figueira ACM, Trivella DBB Sci Rep. 2022 Nov 2;12(1):18500. doi: 10.1038/s41598-022-22576-4. PMID:36323732 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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