Literature DB >> 27539738

A Protonated Water Cluster as a Transient Proton-Loading Site in Cytochrome c Oxidase.

Shreyas Supekar1, Ana P Gamiz-Hernandez1, Ville R I Kaila2.   

Abstract

Cytochrome c oxidase (CcO) is a redox-driven proton pump that powers aerobic respiratory chains. We show here by multi-scale molecular simulations that a protonated water cluster near the active site is likely to serve as the transient proton-loading site (PLS) that stores a proton during the pumping process. The pKa of this water cluster is sensitive to the redox states of the enzyme, showing distinct similarities to other energy converting proton pumps.
© 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Entities:  

Keywords:  bioenergetics; electron transfer; enzymes; molecular dynamics; proton transfer

Mesh：

Substances：

Year:  2016        PMID： 27539738     DOI： 10.1002/anie.201603606

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN： 1433-7851            Impact factor:   15.336


  10 in total

1.  A Water Dimer Shift Activates a Proton Pumping Pathway in the PR → F Transition of ba3 Cytochrome c Oxidase.

Authors:  Wen-Ge Han Du; Andreas W Götz; Louis Noodleman
Journal:  Inorg Chem       Date:  2018-01-08       Impact factor: 5.165

2.  Electric fields control water-gated proton transfer in cytochrome c oxidase.

Authors:  Patricia Saura; Daniel Riepl; Daniel M Frey; Mårten Wikström; Ville R I Kaila
Journal:  Proc Natl Acad Sci U S A       Date:  2022-09-12       Impact factor: 12.779

Review 3.  Synthetic Fe/Cu Complexes: Toward Understanding Heme-Copper Oxidase Structure and Function.

Authors:  Suzanne M Adam; Gayan B Wijeratne; Patrick J Rogler; Daniel E Diaz; David A Quist; Jeffrey J Liu; Kenneth D Karlin
Journal:  Chem Rev       Date:  2018-10-29       Impact factor: 60.622

4.  Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ.

Authors:  Sophie L Mader; Alois Bräuer; Michael Groll; Ville R I Kaila
Journal:  Nat Commun       Date:  2018-03-21       Impact factor: 14.919

5.  Dewetting transitions coupled to K-channel activation in cytochrome c oxidase.

Authors:  Shreyas Supekar; Ville R I Kaila
Journal:  Chem Sci       Date:  2018-07-09       Impact factor: 9.825

Review 6.  Oxygen Activation and Energy Conservation by Cytochrome c Oxidase.

Authors:  Mårten Wikström; Klaas Krab; Vivek Sharma
Journal:  Chem Rev       Date:  2018-01-19       Impact factor: 60.622

7.  Electric field modulated redox-driven protonation and hydration energetics in energy converting enzymes.

Authors:  Patricia Saura; Daniel M Frey; Ana P Gamiz-Hernandez; Ville R I Kaila
Journal:  Chem Commun (Camb)       Date:  2019-05-23       Impact factor: 6.222

8.  Probing the Proton-Loading Site of Cytochrome C Oxidase Using Time-Resolved Fourier Transform Infrared Spectroscopy.

Authors:  Elena Gorbikova; Sergey A Samsonov; Ruslan Kalendar
Journal:  Molecules       Date:  2020-07-27       Impact factor: 4.411

9.  Molecular Principles of Redox-Coupled Protonation Dynamics in Photosystem II.

Authors:  Friederike Allgöwer; Ana P Gamiz-Hernandez; A William Rutherford; Ville R I Kaila
Journal:  J Am Chem Soc       Date:  2022-04-14       Impact factor: 16.383

10.  A pathway for protective quenching in antenna proteins of Photosystem II.

Authors:  Sotiris Papadatos; Antreas C Charalambous; Vangelis Daskalakis
Journal:  Sci Rep       Date:  2017-05-31       Impact factor: 4.379
  10 in total

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