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- W2163348832 abstract "Heme-copper oxidases (HCOs) are terminal electron acceptors in aerobic respiration. They catalyze the reduction of molecular oxygen to water with concurrent pumping of protons across the mitochondrial and bacterial membranes. Protons required for oxygen reduction chemistry and pumping are transferred through proton uptake channels. Recently, the crystal structure of the first C-type member of the HCO superfamily was resolved [Buschmann et al. Science 329 (2010) 327-330], but crystallographic water molecules could not be identified. Here we have used molecular dynamics (MD) simulations, continuum electrostatic approaches, and quantum chemical cluster calculations to identify proton transfer pathways in cytochrome cbb(3). In MD simulations we observe formation of stable water chains that connect the highly conserved Glu323 residue on the proximal side of heme b(3) both with the N- and the P-sides of the membrane. We propose that such pathways could be utilized for redox-coupled proton pumping in the C-type oxidases. Electrostatics and quantum chemical calculations suggest an increased proton affinity of Glu323 upon reduction of high-spin heme b(3). Protonation of Glu323 provides a mechanism to tune the redox potential of heme b(3) with possible implications for proton pumping." @default.
- W2163348832 created "2016-06-24" @default.
- W2163348832 creator A5000095767 @default.
- W2163348832 creator A5063740635 @default.
- W2163348832 creator A5091246390 @default.
- W2163348832 date "2012-05-01" @default.
- W2163348832 modified "2023-10-13" @default.
- W2163348832 title "Dynamic water networks in cytochrome cbb3 oxidase" @default.
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- W2163348832 cites W1489326505 @default.
- W2163348832 cites W1967352215 @default.
- W2163348832 cites W1967688689 @default.
- W2163348832 cites W1967751997 @default.
- W2163348832 cites W1975012149 @default.
- W2163348832 cites W1976499671 @default.
- W2163348832 cites W1977647899 @default.
- W2163348832 cites W1978398623 @default.
- W2163348832 cites W1978590031 @default.
- W2163348832 cites W1980831354 @default.
- W2163348832 cites W1981284006 @default.
- W2163348832 cites W1982722445 @default.
- W2163348832 cites W1988091937 @default.
- W2163348832 cites W1992559666 @default.
- W2163348832 cites W1997147258 @default.
- W2163348832 cites W1997160871 @default.
- W2163348832 cites W2001183280 @default.
- W2163348832 cites W2003609201 @default.
- W2163348832 cites W2004725941 @default.
- W2163348832 cites W2011662519 @default.
- W2163348832 cites W2013591915 @default.
- W2163348832 cites W2016898505 @default.
- W2163348832 cites W2019679504 @default.
- W2163348832 cites W2020090166 @default.
- W2163348832 cites W2021587689 @default.
- W2163348832 cites W2023271753 @default.
- W2163348832 cites W2023507976 @default.
- W2163348832 cites W2027408247 @default.
- W2163348832 cites W2027475750 @default.
- W2163348832 cites W2027715348 @default.
- W2163348832 cites W2028022118 @default.
- W2163348832 cites W2029667189 @default.
- W2163348832 cites W2030687437 @default.
- W2163348832 cites W2031272029 @default.
- W2163348832 cites W2031286484 @default.
- W2163348832 cites W2031616199 @default.
- W2163348832 cites W2037607943 @default.
- W2163348832 cites W2039158009 @default.
- W2163348832 cites W2041631765 @default.
- W2163348832 cites W2044181696 @default.
- W2163348832 cites W2046300943 @default.
- W2163348832 cites W2047729220 @default.
- W2163348832 cites W2054223556 @default.
- W2163348832 cites W2055563809 @default.
- W2163348832 cites W2066007636 @default.
- W2163348832 cites W2071280670 @default.
- W2163348832 cites W2074256604 @default.
- W2163348832 cites W2076047438 @default.
- W2163348832 cites W2078146328 @default.
- W2163348832 cites W2079108392 @default.
- W2163348832 cites W2079243965 @default.
- W2163348832 cites W2080653934 @default.
- W2163348832 cites W2083728115 @default.
- W2163348832 cites W2086163742 @default.
- W2163348832 cites W2086725737 @default.
- W2163348832 cites W2086957099 @default.
- W2163348832 cites W2089444699 @default.
- W2163348832 cites W2094022036 @default.
- W2163348832 cites W2097205642 @default.
- W2163348832 cites W2104193221 @default.
- W2163348832 cites W2105120291 @default.
- W2163348832 cites W2107029002 @default.
- W2163348832 cites W2107344520 @default.
- W2163348832 cites W2117646746 @default.
- W2163348832 cites W2138706831 @default.
- W2163348832 cites W2143981217 @default.
- W2163348832 cites W2149773634 @default.
- W2163348832 cites W2150981663 @default.
- W2163348832 cites W2157256442 @default.
- W2163348832 cites W2157859603 @default.
- W2163348832 cites W2160765183 @default.
- W2163348832 cites W2161881587 @default.
- W2163348832 cites W2162156855 @default.
- W2163348832 cites W2162639746 @default.
- W2163348832 cites W2163003488 @default.
- W2163348832 cites W2166258960 @default.
- W2163348832 cites W2167245403 @default.
- W2163348832 cites W2170664829 @default.
- W2163348832 cites W2347064731 @default.
- W2163348832 cites W2614850441 @default.
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- W2163348832 doi "https://doi.org/10.1016/j.bbabio.2011.09.010" @default.
- W2163348832 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21963365" @default.
- W2163348832 hasPublicationYear "2012" @default.
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