7f61

Crystal structure of human histamine receptor H3R in complex with antagonist PF03654746

spinqualitylabelsall models 7f61, resolution 2.60Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 7f61 is a 2 chain structure with sequence from Escherichia coli and Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.6Å Ligands: 1IB, CLR Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function HRH3_HUMAN The H3 subclass of histamine receptors could mediate the histamine signals in CNS and peripheral nervous system. Signals through the inhibition of adenylate cyclase and displays high constitutive activity (spontaneous activity in the absence of agonist). Agonist stimulation of isoform 3 neither modified adenylate cyclase activity nor induced intracellular calcium mobilization. Publication Abstract from PubMed The histamine receptors belong to the G protein-coupled receptor (GPCR) superfamily, and play important roles in the regulation of histamine and other neurotransmitters in the central nervous system, as potential targets for the treatment of neurologic and psychiatric disorders. Here we report the crystal structure of human histamine receptor H3R bound to an antagonist PF-03654746 at 2.6 A resolution. Combined with the computational and functional assays, our structure reveals binding modes of the antagonist and allosteric cholesterol. Molecular dynamic simulations and molecular docking of different antihistamines further elucidate the conserved ligand-binding modes. These findings are therefore expected to facilitate the structure-based design of novel antihistamines. Structural basis for recognition of antihistamine drug by human histamine receptor.,Peng X, Yang L, Liu Z, Lou S, Mei S, Li M, Chen Z, Zhang H Nat Commun. 2022 Oct 15;13(1):6105. doi: 10.1038/s41467-022-33880-y. PMID:36243875 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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