6fgu | pdb_00006fgu

Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 4

spinqualitylabelsall models 6fgu, resolution 2.05Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6fgu is a 1 chain structure with sequence from Human. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: D9Q Related: 6fg6, 6fgf, 6fgg, 6fgh, 6fgi, 6fgt Gene: BAZ2B, KIAA1476 (HUMAN) Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function [BAZ2B_HUMAN] May play a role in transcriptional regulation interacting with ISWI. Publication Abstract from PubMed The bromodomain-containing protein BAZ2A is a validated target in prostate cancer, while the function of its paralog BAZ2B is still undefined. The bromodomains of BAZ2A and BAZ2B have a very similar binding site for their natural ligand, the acetylated lysine side chain. Here, we present an analysis of the binding modes of eight compounds belonging to three distinct chemical classes. For all compounds, the moiety mimicking the natural ligand makes essentially identical interactions in the BAZ2A and BAZ2B bromodomains. In contrast, the rest of the molecule is partially solvent exposed and shows different orientations and interactions in the two bromodomains. Some of these differences could be exploited for designing selective inhibitors within the BAZ2 bromodomain subfamily. Structural Analysis of Small Molecule Binding to the BAZ2A and BAZ2B Bromodomains.,Dalle Vedove A, Spiliotopoulos D, D'Agostino VG, Marchand JR, Unzue A, Nevado C, Lolli G, Caflisch A ChemMedChem. 2018 May 17. doi: 10.1002/cmdc.201800234. PMID:29770599 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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