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EnglishThe survival of several pathogenic bacteria, such as Helicobacter pylori (Hp), relies on the activity of the nickel dependent enzyme urease. Nickel insertion into urease is mediated by a multimeric chaperone complex (HpUreDFG) that is responsible for the transport of Ni(II) from a conserved metal binding motif located in the UreG dimer (CPH motif) to the catalytic site of the enzyme. The X-ray structure of HpUreDFG revealed the presence of water-filled tunnels that were proposed as a route for Ni(II) translocation. Here, we probe the transport of Ni(II) through the internal tunnels of HpUreDFG, from the CPH motif to the external surface of the complex, using microsecond-long enhanced molecular dynamics simulations. The results suggest a “bucketbrigade” mechanism whereby Ni(II) can be transported through a series of stations found along these internal pathways.
| Titolo: | Probing the transport of Ni(II) ions through the internal tunnels of the Helicobacter pylori UreDFG multimeric protein complex | |
| Autore/i: | Masetti, Matteo; Bertazzo, Martina; Recanatini, Maurizio; Ciurli, Stefano; Musiani, Francesco | |
| Autore/i Unibo: | ||
| Anno: | 2021 | |
| Rivista: | ||
| Digital Object Identifier (DOI): | http://dx.doi.org/10.1016/j.jinorgbio.2021.111554 | |
| Abstract: | The survival of several pathogenic bacteria, such as Helicobacter pylori (Hp), relies on the activity of the nickel dependent enzyme urease. Nickel insertion into urease is mediated by a multimeric chaperone complex (HpUreDFG) that is responsible for the transport of Ni(II) from a conserved metal binding motif located in the UreG dimer (CPH motif) to the catalytic site of the enzyme. The X-ray structure of HpUreDFG revealed the presence of water-filled tunnels that were proposed as a route for Ni(II) translocation. Here, we probe the transport of Ni(II) through the internal tunnels of HpUreDFG, from the CPH motif to the external surface of the complex, using microsecond-long enhanced molecular dynamics simulations. The results suggest a “bucketbrigade” mechanism whereby Ni(II) can be transported through a series of stations found along these internal pathways. | |
| Data stato definitivo: | 2021-07-27T09:41:22Z | |
| Appare nelle tipologie: | 1.01 Articolo in rivista |
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