Uncovering the interactions driving carotenoid binding in light-harvesting complexes.
Journal
Chemical science
ISSN: 2041-6520
Titre abrégé: Chem Sci
Pays: England
ID NLM: 101545951
Informations de publication
Date de publication:
15 Feb 2021
15 Feb 2021
Historique:
entrez:
24
6
2021
pubmed:
25
6
2021
medline:
25
6
2021
Statut:
epublish
Résumé
Carotenoids are essential constituents of plant light-harvesting complexes (LHCs), being involved in protein stability, light harvesting, and photoprotection. Unlike chlorophylls, whose binding to LHCs is known to require coordination of the central magnesium, carotenoid binding relies on weaker intermolecular interactions (such as hydrogen bonds and van der Waals forces), whose character is far more elusive. Here we addressed the key interactions responsible for carotenoid binding to LHCs by combining molecular dynamics simulations and polarizable quantum mechanics/molecular mechanics calculations on the major LHC, LHCII. We found that carotenoid binding is mainly stabilized by van der Waals interactions with the surrounding chlorophyll macrocycles rather than by hydrogen bonds to the protein, the latter being more labile than predicted from structural data. Furthermore, the interaction network in the binding pockets is relatively insensitive to the chemical structure of the embedded carotenoid. Our results are consistent with a number of experimental data and challenge the role played by specific interactions in the assembly of pigment-protein complexes.
Identifiants
pubmed: 34163750
doi: 10.1039/d1sc00071c
pii: d1sc00071c
pmc: PMC8179543
doi:
Types de publication
Journal Article
Langues
eng
Pagination
5113-5122Informations de copyright
This journal is © The Royal Society of Chemistry.
Déclaration de conflit d'intérêts
The authors declare no competing interests.
Références
Nat Commun. 2017 Dec 8;8(1):1994
pubmed: 29222488
J Chem Theory Comput. 2015 Aug 11;11(8):3696-713
pubmed: 26574453
J Comput Chem. 2016 Apr 30;37(11):981-91
pubmed: 26748488
Science. 2015 May 29;348(6238):989-95
pubmed: 26023133
Eur J Biochem. 1993 Aug 1;215(3):809-16
pubmed: 8354287
Elife. 2020 Sep 25;9:
pubmed: 32975516
J Biol Chem. 2003 May 23;278(21):19190-8
pubmed: 12601013
J Biol Chem. 2002 Jul 12;277(28):25160-9
pubmed: 11991953
Biophys J. 2019 Apr 23;116(8):1446-1455
pubmed: 30954210
Photosynth Res. 2020 May;144(2):273-295
pubmed: 32297102
J Biol Chem. 1999 Nov 19;274(47):33510-21
pubmed: 10559236
Sci Rep. 2015 Sep 01;5:13679
pubmed: 26323786
J Phys Chem B. 2015 Jun 25;119(25):7791-803
pubmed: 26053327
Eur Biophys J. 2011 Jul;40(7):843-56
pubmed: 21533652
J Biol Chem. 1999 Oct 15;274(42):29613-23
pubmed: 10514429
Biophys J. 2014 Mar 18;106(6):1349-58
pubmed: 24655510
Eur Biophys J. 2005 Jun;34(4):273-84
pubmed: 15803330
Biochemistry. 1995 Aug 15;34(32):10224-8
pubmed: 7640277
Structure. 2004 May;12(5):765-73
pubmed: 15130469
Proc Natl Acad Sci U S A. 1987 Jan;84(1):146-50
pubmed: 16593794
J Mol Biol. 2001 Dec 14;314(5):1157-66
pubmed: 11743731
J Phys Chem B. 2010 Oct 28;114(42):13517-35
pubmed: 20886872
Phys Chem Chem Phys. 2015 Jun 14;17(22):14405-16
pubmed: 25872495
Science. 2020 Aug 21;369(6506):
pubmed: 32820091
Science. 2008 May 9;320(5877):794-7
pubmed: 18467588
Sci Rep. 2015 Oct 23;5:15661
pubmed: 26493782
FEBS Lett. 2007 Oct 2;581(24):4704-10
pubmed: 17850797
Biochim Biophys Acta Bioenerg. 2017 Oct;1858(10):815-822
pubmed: 28778536
Proc Natl Acad Sci U S A. 1999 Aug 31;96(18):10056-61
pubmed: 10468561
J Biol Chem. 2012 Jan 20;287(4):2915-25
pubmed: 22147706
J Biol Chem. 2008 Mar 7;283(10):6184-92
pubmed: 18079125
J Chem Theory Comput. 2014 Feb 11;10(2):865-879
pubmed: 24803855
Nat Struct Mol Biol. 2011 Mar;18(3):309-15
pubmed: 21297637
J Am Chem Soc. 2002 Jul 17;124(28):8445-51
pubmed: 12105926
J Biol Chem. 2009 Mar 20;284(12):8103-13
pubmed: 19129188
Chem Commun (Camb). 2020 Sep 24;56(76):11215-11218
pubmed: 32815976
J Chem Theory Comput. 2009 Jul 14;5(7):1838-48
pubmed: 26610008
J Biol Chem. 2013 Jul 5;288(27):19796-804
pubmed: 23629658
J Biol Chem. 2001 Sep 21;276(38):35924-33
pubmed: 11454869
Eur J Biochem. 2000 Jan;267(2):616-24
pubmed: 10632733
Nature. 2007 Nov 22;450(7169):575-8
pubmed: 18033302
Science. 2017 Aug 25;357(6353):815-820
pubmed: 28839073
Biochim Biophys Acta. 2014 Sep;1837(9):1500-6
pubmed: 24561227
Biophys J. 2004 May;86(5):3097-111
pubmed: 15111423
Nature. 2004 Mar 18;428(6980):287-92
pubmed: 15029188
FEBS Lett. 1999 Jul 30;456(1):1-6
pubmed: 10452518
J Comput Chem. 2012 Sep 30;33(25):1969-80
pubmed: 22685077
Biochim Biophys Acta Bioenerg. 2020 Apr 1;1861(4):148038
pubmed: 31229568
J Exp Bot. 2004 Jan;55(394):119-30
pubmed: 14676290