5wys | pdb_00005wys

luciferase with inhibitor 3i

spinqualitylabelsall models 5wys, resolution 3.00Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 5wys is a 1 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 7V6 Activity: Photinus-luciferin 4-monooxygenase (ATP-hydrolyzing), with EC number 1.13.12.7 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function [LUCI_PHOPY] Produces green light with a wavelength of 562 nm. Publication Abstract from PubMed Chalcone refers to an aromatic ketone and an enone that constitutes the central core for various important biological compounds in drug discovery. Moreover, the firefly luciferase (Fluc) as the bioluminescent reporter has been widely used in life science research and high-throughput screening (HTS). However, Fluc might suffer from direct inhibition by HTS compounds resulting in the occurrence of "false positives." In the current research, we discovered a series of chalcone compounds as Fluc inhibitors with favorable potency both in vitro and in vivo. Moreover, our compound 3i showed remarkable systemic inhibition in transgenic mice. Both enzymatic kinetics study and cocrystal structure demonstrated that compound 3i is competitive for substrate aminoluciferin, while noncompetitive for ATP. Besides, compound 3i exhibited excellent selectivity as a promising quenching agent in a simulated dual-luciferase reporter assay. We believed that our research would contribute to improving scientists' awareness of the Fluc inhibitors, pay attention to the bias results, and even expand the utilization of bioluminescence in life science research. Inhibiting Firefly Bioluminescence by Chalcones.,Zhang H, Su J, Lin Y, Bai H, Liu J, Chen H, Du L, Gu L, Li M Anal Chem. 2017 Jun 6;89(11):6099-6105. doi: 10.1021/acs.analchem.7b00813. Epub, 2017 May 23. PMID:28492074 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Luciferase 3D structures

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