Principles of target DNA cleavage and the role of Mg2+ in the catalysis of CRISPR-Cas9.


Journal

Nature catalysis
ISSN: 2520-1158
Titre abrégé: Nat Catal
Pays: England
ID NLM: 101714581

Informations de publication

Date de publication:
Oct 2022
Historique:
entrez: 13 2 2023
pubmed: 14 2 2023
medline: 14 2 2023
Statut: ppublish

Résumé

At the core of the CRISPR-Cas9 genome-editing technology, the endonuclease Cas9 introduces site-specific breaks in DNA. However, precise mechanistic information to ameliorating Cas9 function is still missing. Here, multi-microsecond molecular dynamics, free-energy and multiscale simulations are combined with solution NMR and DNA cleavage experiments to resolve the catalytic mechanism of target DNA cleavage. We show that the conformation of an active HNH nuclease is tightly dependent on the catalytic Mg

Identifiants

pubmed: 36778082
doi: 10.1038/s41929-022-00848-6
pmc: PMC9909973
mid: NIHMS1852788
doi:

Types de publication

Journal Article

Langues

eng

Pagination

912-922

Subventions

Organisme : NIGMS NIH HHS
ID : R01 GM136815
Pays : United States
Organisme : NIGMS NIH HHS
ID : R01 GM141329
Pays : United States

Références

Nature. 2007 Oct 4;449(7162):616-20
pubmed: 17873859
J Am Chem Soc. 2020 Jan 22;142(3):1348-1358
pubmed: 31885264
Nature. 2014 Sep 25;513(7519):569-73
pubmed: 25079318
J Chem Theory Comput. 2012 Nov 13;8(11):4393-404
pubmed: 26605601
Biochemistry. 2002 Nov 26;41(47):13851-60
pubmed: 12437341
Proc Natl Acad Sci U S A. 2021 Jan 12;118(2):
pubmed: 33443184
Phys Rev A Gen Phys. 1988 Sep 15;38(6):3098-3100
pubmed: 9900728
J Biol Chem. 2007 Mar 30;282(13):9646-9656
pubmed: 17202139
J Am Chem Soc. 2009 Feb 4;131(4):1550-6
pubmed: 19119875
Science. 2012 Aug 17;337(6096):816-21
pubmed: 22745249
J Chem Theory Comput. 2010 Dec 14;6(12):3836-3849
pubmed: 35283696
Elife. 2021 Dec 15;10:
pubmed: 34908530
Nature. 2015 Nov 5;527(7576):110-3
pubmed: 26524520
Phys Rev B Condens Matter. 1988 Jan 15;37(2):785-789
pubmed: 9944570
Nat Commun. 2017 Nov 9;8(1):1375
pubmed: 29123204
Chem Rev. 2015 Jun 24;115(12):6217-63
pubmed: 25880693
J Am Chem Soc. 2016 Aug 24;138(33):10374-7
pubmed: 27309711
Biophys J. 2007 Jun 1;92(11):3817-29
pubmed: 17351000
Phys Rev A Gen Phys. 1985 Mar;31(3):1695-1697
pubmed: 9895674
ACS Catal. 2019 Feb 1;9(2):1329-1336
pubmed: 34046245
Nature. 2022 Sep;609(7925):191-196
pubmed: 36002571
Proc Natl Acad Sci U S A. 2014 Apr 29;111(17):E1705-12
pubmed: 24733918
J Chem Theory Comput. 2011 Sep 13;7(9):2886-2902
pubmed: 21921995
Science. 2016 Feb 19;351(6275):867-71
pubmed: 26841432
Nat Struct Mol Biol. 2019 Aug;26(8):679-685
pubmed: 31285607
Cell Rep. 2018 Jan 9;22(2):359-371
pubmed: 29320733
ACS Catal. 2020 Nov 20;10(22):13596-13605
pubmed: 33520346
Sci Adv. 2017 Aug 04;3(8):eaao0027
pubmed: 28808686
Proc Natl Acad Sci U S A. 2002 Oct 1;99(20):12562-6
pubmed: 12271136
Elife. 2019 Jul 30;8:
pubmed: 31361218
Phys Rev Lett. 1985 Nov 25;55(22):2471-2474
pubmed: 10032153
Cell. 2014 Feb 27;156(5):935-49
pubmed: 24529477
Science. 2014 Mar 14;343(6176):1247997
pubmed: 24505130
J Chem Theory Comput. 2013 Jun 11;9(6):2733-2748
pubmed: 23914143
Proteins. 2020 Feb;88(2):260-264
pubmed: 31390092
Nature. 2022 Mar;603(7900):343-347
pubmed: 35236982
Sci Rep. 2017 Dec 8;7(1):17271
pubmed: 29222528
Science. 2014 Nov 28;346(6213):1258096
pubmed: 25430774
Proc Natl Acad Sci U S A. 2017 Jul 11;114(28):7260-7265
pubmed: 28652374
J Chem Inf Model. 2019 May 28;59(5):2394-2406
pubmed: 30763088
Acc Chem Res. 2015 Feb 17;48(2):220-8
pubmed: 25590654

Auteurs

Łukasz Nierzwicki (Ł)

Department of Bioengineering, University of California Riverside, 900 University Avenue, Riverside, CA 52512, United States.

Kyle W East (KW)

Department of Molecular Biology, Cell Biology & Biochemistry, Brown University, Providence, RI, United States.

Jonas M Binz (JM)

Department of Biochemistry, University of Zürich, Winterthurerstrasse 190, CH-8057 Zurich, Switzerland.

Rohaine V Hsu (RV)

Department of Bioengineering, University of California Riverside, 900 University Avenue, Riverside, CA 52512, United States.

Mohd Ahsan (M)

Department of Bioengineering, University of California Riverside, 900 University Avenue, Riverside, CA 52512, United States.

Pablo R Arantes (PR)

Department of Bioengineering, University of California Riverside, 900 University Avenue, Riverside, CA 52512, United States.

Erin Skeens (E)

Department of Molecular Biology, Cell Biology & Biochemistry, Brown University, Providence, RI, United States.

Martin Pacesa (M)

Department of Biochemistry, University of Zürich, Winterthurerstrasse 190, CH-8057 Zurich, Switzerland.

Martin Jinek (M)

Department of Biochemistry, University of Zürich, Winterthurerstrasse 190, CH-8057 Zurich, Switzerland.

George P Lisi (GP)

Department of Molecular Biology, Cell Biology & Biochemistry, Brown University, Providence, RI, United States.

Giulia Palermo (G)

Department of Bioengineering, University of California Riverside, 900 University Avenue, Riverside, CA 52512, United States.
Department of Chemistry, University of California Riverside, 900 University Avenue, Riverside, CA 52512, United States.

Classifications MeSH