Selenocyanate derived Se-incorporation into the Nitrogenase Fe protein cluster

Abstract
Data availability
Article and author information
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Abstract

The nitrogenase Fe protein mediates ATP-dependent electron transfer to the nitrogenase MoFe protein during nitrogen fixation, in addition to catalyzing MoFe protein independent substrate (CO₂) reduction and facilitating MoFe protein metallocluster biosynthesis. The precise role(s) of the Fe protein Fe₄S₄ cluster in some of these processes remains ill-defined. Herein, we report crystallographic data demonstrating ATP-dependent chalcogenide exchange at the Fe₄S₄ cluster of the nitrogenase Fe protein when potassium selenocyanate is used as the selenium source, an unexpected result as the Fe protein cluster is not traditionally perceived as a site of substrate binding within nitrogenase. The observed chalcogenide exchange illustrates that this Fe₄S₄ cluster is capable of core substitution reactions under certain conditions, adding to the Fe protein's repertoire of unique properties.

Data availability

Diffraction data have been deposited in the RCSB PDB under the accession codes 7TPW, 7TPX, 7TPY, 7TPZ, 7T4H, 7TQ0, 7TQ9, 7TQC, 7TNE, 7TQE, 7TQF, 7TPN, 7TQH, 7TQI, 7TPO, 7TQJ, 7TQK, and 7TPV.

The following data sets were generated

1. Buscagan
2. Kaiser
3. Rees
(2022) SELENIUM INCORPORATED NITROGENASE FE-PROTEIN (AV2-SE) FROM A. VINELANDII
7T4H.

https://www.rcsb.org/7T4H
1. Buscagan
2. Kaiser
3. Rees
(2022) SELENIUM-INCORPORATED NITROGENASE FE-PROTEIN (AV2-SE) FROM A. VINELANDII
7TNE.

https://www.rcsb.org/7TNE
1. Buscagan
2. Kaiser
3. Rees
(2022) SELENIUM-INCORPORATED NITROGENASE FE PROTEIN (AV2-SE) FROM A. VINELANDII (11 MM KSECN)
7TPN.

https://www.rcsb.org/7TPN
1. Buscagan
2. Kaiser
3. Rees
(2022) SELENIUM-INCORPORATED NITROGENASE FE-PROTEIN (AV2-SE) FROM A. VINELANDII (1MM KSECN)
7TPO.

https://www.rcsb.org/7TPO
1. Buscagan
2. Kaiser
3. Rees
(2022) SELENIUM-FREE NITROGENASE FE PROTEIN (AV2) FROM A. VINELANDII (5MM KSECN SOAKED)
7TPV.

https://www.rcsb.org/7TPV
1. Buscagan
2. Kaiser
3. Rees
(2022) SELENIUM-FREE NITROGENASE FE PROTEIN (AV2) FROM A. VINELANDII
7TPW.

https://www.rcsb.org/7TPW
1. Buscagan
2. Kaiser
3. Rees
(2022) SELENIUM-FREE NITROGENASE FE PROTEIN (AV2) FROM A. VINELANDII
7TPX.

https://www.rcsb.org/7TPX
1. Buscagan
2. Kaiser
3. Rees
(2022) SELENIUM-FREE NITROGENASE FE PROTEIN (AV2) FROM A. VINELANDII (NUCLEOTIDE CONTROL)
7TPY.

https://www.rcsb.org/7TPY
1. Buscagan
2. Kaiser
3. Rees
(2022) SELENIUM-FREE NITROGENASE FE PROTEIN (AV2) FROM A. VINELANDII (NUCLEOTIDE CONTROL)
7TPZ.

https://www.rcsb.org/7TPZ
1. Buscagan
2. Kaiser
3. Rees
(2022) SELENIUM-INCORPORATED NITROGENASE FE PROTEIN (AV2-SE) FROM A. VINELANDII (22 MM KSECN, WITH AV1)
7TQ0.

https://www.rcsb.org/7TQ0
1. Buscagan
2. Kaiser
3. Rees
(2022) SELENIUM-INCORPORATED NITROGENASE FE PROTEIN (AV2-SE) FROM A. VINELANDII (22 MM KSECN, WITH AV1)
7TQ9.

https://www.rcsb.org/7TQ9
1. Buscagan
2. Kaiser
3. Rees
(2022) SELENIUM-INCORPORATED NITROGENASE FE PROTEIN (AV2-SE) FROM A. VINELANDII (22 MM KSECN)
7TQC.

https://www.rcsb.org/7TQC
1. Buscagan
2. Kaiser
3. Rees
(2022) SELENIUM-INCORPORATED NITROGENASE FE PROTEIN (AV2-SE) FROM A. VINELANDII (22 MM KSECN)
7TQE.

https://www.rcsb.org/7TQE
1. Buscagan
2. Kaiser
3. Rees
(2022) SELENIUM-INCORPORATED NITROGENASE FE PROTEIN (AV2-SE) FROM A. VINELANDII (22 MM KSECN)
7TQF.

https://www.rcsb.org/7TQF
1. Buscagan
2. Kaiser
3. Rees
(2022) SELENIUM-INCORPORATED NITROGENASE FE PROTEIN (AV2-SE) FROM A. VINELANDII (11 MM KSECN)
7TQH.

https://www.rcsb.org/7TQH
1. Buscagan
2. Kaiser
3. Rees
(2022) SELENIUM-INCORPORATED NITROGENASE FE PROTEIN (AV2-SE) FROM A. VINELANDII (11 MM KSECN)
7TQI.

https://www.rcsb.org/7TQI
1. Buscagan
2. Kaiser
3. Rees
(2022) SELENIUM-INCORPORATED NITROGENASE FE PROTEIN (AV2-SE) FROM A. VINELANDII (1 MM KSECN)
7TQJ.

https://www.rcsb.org/7TQJ
1. Buscagan
2. Kaiser
3. Rees
(2022) SELENIUM-INCORPORATED NITROGENASE FE PROTEIN (AV2-SE) FROM A. VINELANDII (1 MM KSECN)
7TQK.

https://www.rcsb.org/7TQK

Article and author information

Author details

Trixia M Buscagan

Division of Chemistry and Chemical Engineering, Howard Hughes Medical Institute, California Institute of Technology, Pasadena, United States

For correspondence
tbuscaga@caltech.edu

Competing interests
The authors declare that no competing interests exist.
Jens T Kaiser

Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, United States

Competing interests
The authors declare that no competing interests exist.

"This ORCID iD identifies the author of this article:" 0000-0002-5948-5212
Douglas C Rees

Division of Chemistry and Chemical Engineering, Howard Hughes Medical Institute, California Institute of Technology, Pasadena, United States

For correspondence
dcrees@caltech.edu

Competing interests
The authors declare that no competing interests exist.

"This ORCID iD identifies the author of this article:" 0000-0003-4073-1185

Funding

Howard Hughes Medical Institute

Douglas C Rees

National Institutes of Health (GM45162)

Douglas C Rees

The funders had no role in study design, data collection and interpretation, or the decision to submit the work for publication.

Copyright

This article is distributed under the terms of the Creative Commons Attribution License permitting unrestricted use and redistribution provided that the original author and source are credited.