Molecular Modelling of the Ni(II)-Responsive <i>Synechocystis</i> PCC 6803 Transcriptional Regulator InrS in the Metal Bound Form
InrS (internal nickel-responsive sensor) is a transcriptional regulator found in cyanobacteria that represses the transcription of the nickel exporter NrsD in the apo form and de-represses expression of the exporter upon Ni(II) binding. Although a crystal structure of apo-InrS from <i>Synechoc...
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| Format: | Article |
| Language: | English |
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MDPI AG
2019-06-01
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| Series: | Inorganics |
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| Online Access: | https://www.mdpi.com/2304-6740/7/6/76 |
| _version_ | 1819107745163378688 |
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| author | Elia Barchi Francesco Musiani |
| author_facet | Elia Barchi Francesco Musiani |
| author_sort | Elia Barchi |
| collection | DOAJ |
| description | InrS (internal nickel-responsive sensor) is a transcriptional regulator found in cyanobacteria that represses the transcription of the nickel exporter NrsD in the apo form and de-represses expression of the exporter upon Ni(II) binding. Although a crystal structure of apo-InrS from <i>Synechocystis</i> PCC 6803 has been reported, no structure of the protein with metal ions bound is available. Here we report the results of a computational study aimed to reconstruct the metal binding site by taking advantage of recent X-ray absorption spectroscopy (XAS) data and to envisage the structural rearrangements occurring upon Ni(II) binding. The modelled Ni(II) binding site shows a square planar geometry consistent with experimental data. The structural details of the conformational changes occurring upon metal binding are also discussed in the framework of trying to rationalize the different affinity of the apo- and holo-forms of the protein for DNA. |
| first_indexed | 2024-12-22T02:58:55Z |
| format | Article |
| id | doaj.art-7c9ad605792c4c7388fbf78a7048b239 |
| institution | Directory Open Access Journal |
| issn | 2304-6740 |
| language | English |
| last_indexed | 2024-12-22T02:58:55Z |
| publishDate | 2019-06-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Inorganics |
| spelling | doaj.art-7c9ad605792c4c7388fbf78a7048b2392022-12-21T18:41:12ZengMDPI AGInorganics2304-67402019-06-01767610.3390/inorganics7060076inorganics7060076Molecular Modelling of the Ni(II)-Responsive <i>Synechocystis</i> PCC 6803 Transcriptional Regulator InrS in the Metal Bound FormElia Barchi0Francesco Musiani1Laboratory of Bioinorganic Chemistry, Department of Pharmacy and Biotechnology, University of Bologna, Viale G. Fanin 40, I-40127 Bologna, ItalyLaboratory of Bioinorganic Chemistry, Department of Pharmacy and Biotechnology, University of Bologna, Viale G. Fanin 40, I-40127 Bologna, ItalyInrS (internal nickel-responsive sensor) is a transcriptional regulator found in cyanobacteria that represses the transcription of the nickel exporter NrsD in the apo form and de-represses expression of the exporter upon Ni(II) binding. Although a crystal structure of apo-InrS from <i>Synechocystis</i> PCC 6803 has been reported, no structure of the protein with metal ions bound is available. Here we report the results of a computational study aimed to reconstruct the metal binding site by taking advantage of recent X-ray absorption spectroscopy (XAS) data and to envisage the structural rearrangements occurring upon Ni(II) binding. The modelled Ni(II) binding site shows a square planar geometry consistent with experimental data. The structural details of the conformational changes occurring upon metal binding are also discussed in the framework of trying to rationalize the different affinity of the apo- and holo-forms of the protein for DNA.https://www.mdpi.com/2304-6740/7/6/76InrSnickel-dependent transcriptional regulatorsmolecular modelling |
| spellingShingle | Elia Barchi Francesco Musiani Molecular Modelling of the Ni(II)-Responsive <i>Synechocystis</i> PCC 6803 Transcriptional Regulator InrS in the Metal Bound Form Inorganics InrS nickel-dependent transcriptional regulators molecular modelling |
| title | Molecular Modelling of the Ni(II)-Responsive <i>Synechocystis</i> PCC 6803 Transcriptional Regulator InrS in the Metal Bound Form |
| title_full | Molecular Modelling of the Ni(II)-Responsive <i>Synechocystis</i> PCC 6803 Transcriptional Regulator InrS in the Metal Bound Form |
| title_fullStr | Molecular Modelling of the Ni(II)-Responsive <i>Synechocystis</i> PCC 6803 Transcriptional Regulator InrS in the Metal Bound Form |
| title_full_unstemmed | Molecular Modelling of the Ni(II)-Responsive <i>Synechocystis</i> PCC 6803 Transcriptional Regulator InrS in the Metal Bound Form |
| title_short | Molecular Modelling of the Ni(II)-Responsive <i>Synechocystis</i> PCC 6803 Transcriptional Regulator InrS in the Metal Bound Form |
| title_sort | molecular modelling of the ni ii responsive i synechocystis i pcc 6803 transcriptional regulator inrs in the metal bound form |
| topic | InrS nickel-dependent transcriptional regulators molecular modelling |
| url | https://www.mdpi.com/2304-6740/7/6/76 |
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