In silico study of structural determinants modulating the redox potential of Rigidoporus lignosus and other fungal laccases

Journal of Biomolecular Structure & Dynamics
Maria Teresa CambriaAntonio Cambria

Abstract

Laccases are multicopper oxidases in which substrate oxidation takes place at the type-1 (T1) copper site. The redox potential (E (0)) significantly varies amongst members of the family and is a key parameter for substrate specificity. Despite sharing highly conserved features at the T1 copper site, laccases span a large range of E (0), suggesting that the influence of the metal secondary coordination sphere is important. In silico analysis of structural determinants modulating the E (0) of Rigidoporus lignosus and other fungal laccases indicated that different factors can be considered. First, the length of the T1 copper coordinating histidine bond is observed to be longer in high E (0) laccases than in low E (0) ones. The hydrophobic environment around the T1 copper site appeared as another important structural determinant in modulating the E (0), with a stronger hydrophobic environment correlating with higher E (0). The analysis of hydrogen bonding network (HBN) around the T1-binding pocket revealed that the amino acids building up the metal binding site strongly interact with neighbouring residues and contribute to the stabilization of the protein folds. Changes in these HBNs that modified the Cu1 preferred coordination geo...Continue Reading

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Citations

Jan 28, 2014·Applied Microbiology and Biotechnology·Gemma MacellaroGiovanni Sannia
Mar 31, 2015·Biophysical Chemistry·Ines DelfinoMaria Lepore
Jan 18, 2015·Cellular and Molecular Life Sciences : CMLS·Rebecca PogniRiccardo Basosi
Jan 15, 2015·Cellular and Molecular Life Sciences : CMLS·Isabel Pardo, Susana Camarero
Dec 14, 2019·Applied Microbiology and Biotechnology·Ilaria StanzioneAlessandra Piscitelli
Aug 18, 2017·Chemistry : a European Journal·Nicholas J FowlerSam P de Visser

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Methods Mentioned

BETA
NMR
protein folding
X-ray

Software Mentioned

Pymol
HB plot

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