Hydrogen-Bonding Interaction Regulates Photoisomerization of a Single-Bond-Rotation Locked Photoactive Yellow Protein Chromophore in Protein.

The Journal of Physical Chemistry Letters
Teng-Shuo ZhangGanglong Cui

Abstract

We have employed the QM(CASPT2//CASSCF)/MM method to explore the excited-state isomerization and decay mechanism of a single-bond-rotation locked photoactive yellow protein (PYP) chromophore in wild-type and mutant proteins. The S1 state is a spectroscopically bright state in the Franck-Condon region. In this state, there exist two excited-state isomerization pathways separately related to the clockwise and anticlockwise rotations of the C=C bond. The clockwise path is favorable because of a small barrier of 2 kcal/mol and uses a novel bicycle-pedal unidirectional photoisomerization mechanism in which the involved two dihedral angles rotate asynchronously because of the reinforced hydrogen-bonding interaction between the chromophore and Cys69. Near the twisted S1 minimum, the chromophore hops to the S0 state via the S1/S0 conical intersection. Finally, the R52A mutation has small effects on the excited-state properties and photoisomerization of the locked PYP chromophore. The present work provides new insights for understanding the photochemistry of PYP chromophores in protein surroundings.

References

Jul 1, 1996·Biophysical Journal·M E Van BrederodeK J Hellingwerf
Oct 4, 2000·Proceedings of the National Academy of Sciences of the United States of America·R S Liu, G S Hammond
May 23, 2002·Journal of the American Chemical Society·Wendy L RyanDonald H Levy
Jul 23, 2003·Nature Structural Biology·Elizabeth D GetzoffUlrich K Genick
Oct 16, 2003·Journal of the American Chemical Society·Chaehyuk KoTodd J Martínez
May 5, 2005·Proceedings of the National Academy of Sciences of the United States of America·Hyotcherl IheeKeith Moffat
Dec 22, 2005·Journal of the American Chemical Society·Karsten HeyneMichael A Cusanovich
Jan 13, 2006·Proceedings of the National Academy of Sciences of the United States of America·I-Ren LeeAhmed H Zewail
Oct 4, 2006·Proceedings of the National Academy of Sciences of the United States of America·L J G W van WilderenM L Groot
Mar 24, 2007·Journal of the American Chemical Society·Adeyemi A AdesokanR Benny Gerber
Feb 26, 2008·Journal of the American Chemical Society·Gerrit GroenhofMichael A Robb
Dec 19, 2008·The Journal of Physical Chemistry. B·Aaron M VirshupTodd J Martínez
May 28, 2009·Proceedings of the National Academy of Sciences of the United States of America·Paul A SigalaDaniel Herschlag
Sep 5, 2009·Journal of the American Chemical Society·Martial Boggio-PasquaGerrit Groenhof
Mar 12, 2010·Proceedings of the National Academy of Sciences of the United States of America·Andrew F PhilipWouter D Hoff
Oct 19, 2010·The Journal of Physical Chemistry Letters·Elizabeth C CarrollDelmar S Larsen
May 13, 2011·The Journal of Physical Chemistry. B·Martial Boggio-Pasqua, Gerrit Groenhof
Jun 2, 2011·Journal of the American Chemical Society·Pradeep L RamachandranJasper J van Thor
Dec 17, 2011·Proceedings of the National Academy of Sciences of the United States of America·Keisuke Saito, Hiroshi Ishikita
Nov 8, 2012·Proceedings of the National Academy of Sciences of the United States of America·Friedrich SchottePhilip A Anfinrud
Sep 6, 2013·Journal of the American Chemical Society·Lucille MendonçaYasushi Imamoto
Jan 24, 2014·The Journal of Physical Chemistry. B·Mark CreelmanRichard A Mathies
Feb 20, 2014·Journal of the American Chemical Society·Marc Nadal-FerretJosé M Lluch
Mar 19, 2015·Angewandte Chemie·Ciarán R S MooneyHelen H Fielding
Aug 16, 2012·The Journal of Physical Chemistry Letters·Mitra AlmasianJos Oomens

❮ Previous
Next ❯

Citations

Mar 2, 2021·The Journal of Physical Chemistry. a·Xue-Ping ChangGanglong Cui
Sep 18, 2020·The Journal of Physical Chemistry Letters·Jiabo Xu, Linjun Wang

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

Related Papers

Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology
Pascale Changenet-BarretMonique M Martin
© 2021 Meta ULC. All rights reserved