6y45 | pdb_00006y45

Crystal Structure of the H33A variant of RsrR

spinqualitylabelsall models 6y45, resolution 1.68Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6y45 is a 4 chain structure with sequence from Strvp. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: FES, MES, MPD, NA, SO4 Gene: SVEN_6563 (STRVP) Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed The [Fe2S2]-RsrR gene transcription regulator senses the redox status in bacteria by modulating DNA binding, while its cluster cycles between +1 and +2 states-only the latter binds DNA. We have previously shown that RsrR can undergo remarkable conformational changes involving a 100 degrees rotation of tryptophan 9 between exposed (Out) and buried (In) states. Here, we have used the chemical modification of Trp9, site-directed mutagenesis, and crystallographic and computational chemical studies to show that (i) the Out and In states correspond to oxidized and reduced RsrR, respectively, (ii) His33 is protonated in the In state due to a change in its pKa caused by cluster reduction, and (iii) Trp9 rotation is conditioned by the response of its dipole moment to environmental electrostatic changes. Our findings illustrate a novel function of protonation resulting from electron transfer. Electron and Proton Transfers Modulate DNA Binding by the Transcription Regulator RsrR.,Crack JC, Amara P, Volbeda A, Mouesca JM, Rohac R, Pellicer Martinez MT, Huang CY, Gigarel O, Rinaldi C, Le Brun NE, Fontecilla-Camps JC J Am Chem Soc. 2020 Mar 3. doi: 10.1021/jacs.9b12250. PMID:32078310 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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