Towards resolving the complex paramagnetic nuclear magnetic resonance (NMR) spectrum of small laccase: assignments of resonances to residue-specific nuclei

Dasgupta, Rubin; Gupta, Karthick B. S. S.; de Groot, Huub J. M.; Ubbink, Marcellus

doi:https://doi.org/10.5194/mr-2-15-2021

Articles | Volume 2, issue 1

https://doi.org/10.5194/mr-2-15-2021

© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.

Special issue:

Robert Kaptein Festschrift

https://doi.org/10.5194/mr-2-15-2021

© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.

Articles | Volume 2, issue 1

Research article

|

29 Jan 2021

Research article |

| 29 Jan 2021

Towards resolving the complex paramagnetic nuclear magnetic resonance (NMR) spectrum of small laccase: assignments of resonances to residue-specific nuclei

Rubin Dasgupta, Karthick B. S. S. Gupta, Huub J. M. de Groot, and Marcellus Ubbink

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Final revised paper (published on 29 Jan 2021)
Supplement to the final revised paper
Preprint (discussion started on 30 Nov 2020)
Supplement to the preprint

Interactive discussion

Status: closed

AC: Author comment | RC: Referee comment | SC: Short comment | EC: Editor comment

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- Supplement

RC1: 'comments', Anonymous Referee #1, 15 Dec 2020
SC1: 'data access', Gottfried Otting, 20 Dec 2020
RC2: 'comments to the authors', Anonymous Referee #2, 21 Dec 2020
RC3: 'Towards resolving the complex paramagnetic NMR spectrum of small laccase: Assignments of resonances to residue specific nuclei', Anonymous Referee #3, 21 Dec 2020
AC1: 'Reply to reviewer comments on mr-2020-31', Marcellus Ubbink, 15 Jan 2021

Peer-review completion

AR: Author's response | RR: Referee report | ED: Editor decision

AR by Marcellus Ubbink on behalf of the Authors (16 Jan 2021) Author's response Manuscript

ED: Publish as is (19 Jan 2021) by Rolf Boelens

AR by Marcellus Ubbink on behalf of the Authors (20 Jan 2021) Author's response Manuscript

Short summary

A method is demonstrated that can help in sequence-specific NMR signal assignment to nuclear spins near a strongly paramagnetic metal in an enzyme. A combination of paramagnetically tailored NMR experiments and second-shell mutagenesis was used to attribute previously observed chemical exchange processes in the active site of laccase to specific histidine ligands. The signals of nuclei close to the metal can be used as spies to unravel the role of motions in the catalytic process.