Electrostatic Influence on Photoisomerization in Bacteriorhodopsin and Halorhodopsin

Punwong, Chutintorn; Hannongbua, Supot; Martínez, Todd J.

doi:10.1021/acs.jpcb.9b01837

Title: Electrostatic Influence on Photoisomerization in Bacteriorhodopsin and Halorhodopsin

Journal Article · 21 May 2019 · Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry

DOI: https://doi.org/10.1021/acs.jpcb.9b01837 · OSTI ID:1547066

^[1]; Hannongbua, Supot ^[2];

^[3]

Prince of Songkla Univ. (Thailand)
Chulalongkorn Univ., Bangkok (Thailand)
Stanford Univ., CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)

Bacteriorhodopsin (bR) and halorhodopsin (hR) are mutual membrane proteins that transport ions across the cell membrane in halobacteria. Their ion transport function is triggered by photoactivated isomerization of the retinal protonated Schiff base (RPSB) chromophore. In spite of their similar structures, bR and hR exhibit widely differing RPSB isomerization rates and quantum yields (with bR being both faster and more efficient than hR). Previous simulations of photoisomerization in bR and hR using ab initio multiple spawning (AIMS) with QM/MM have successfully reproduced the experimentally observed ordering of quantum yields and isomerization rates, but the origin of these differences remains elusive. In this work, we discover the role of electrostatic interactions in the protein pocket surrounding RPSB. We probe the influence of protein electrostatics by modifying the charge of the complex counterion in bR/hR to be more/less negative than the native state. We find that such modifications lead to bR-like behavior in hR and vice versa. This demonstrates the crucial role of electrostatic interactions in controlling the outcome of RPSB photoisomerization.

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Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE; National Science Foundation (NSF); Thailand Research Fund

Grant/Contract Number:: AC02-76SF00515

OSTI ID:: 1547066

Journal Information:: Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry, Journal Name: Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry Journal Issue: 23 Vol. 123; ISSN 1520-6106

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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