From crystallographic data to the solution structure of photoreceptors: the case of the AppA BLUF domain-Reference-Cited by-同舟云学术

From crystallographic data to the solution structure of photoreceptors: the case of the AppA BLUF domain

Published:2021 Issue:40 Volume:12 Page:13331-13342
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Hashem Shaima¹^ORCID,Macaluso Veronica¹^ORCID,Nottoli Michele¹^ORCID,Lipparini Filippo¹^ORCID,Cupellini Lorenzo¹^ORCID,Mennucci Benedetta¹^ORCID

Affiliation:

1. Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via G. Moruzzi 13, 56124 Pisa, Italy

Abstract

With an integrated molecular dynamics and QM/MM strategy we characterize the dark-state structure of a BLUF photoreceptor and ration alize the discrepancy between published crystal structures.

Funder

H2020 European Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/SC/D1SC03000K

Reference65 articles.

1. Photoreceptor Proteins, “Star Actors of Modern Times”: A Review of the Functional Dynamics in the Structure of Representative Members of Six Different Photoreceptor Families

2. Structure and Function of Plant Photoreceptors

3. Photoreceptors Take Charge: Emerging Principles for Light Sensing

4. Structure of a Novel Photoreceptor, the BLUF Domain of AppA from Rhodobacter sphaeroides,

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