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Probing the influence of non-covalent contact networks identified by charge density analysis on the oxidoreductase BacC

Perinbam, Kumar and Balaram, Hemalatha and Row, Tayur N Guru and Gopal, Balasubramanian (2017) Probing the influence of non-covalent contact networks identified by charge density analysis on the oxidoreductase BacC. In: PROTEIN ENGINEERING DESIGN & SELECTION, 30 (3, SI). pp. 265-272.

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Official URL: http://dx.doi.org/10.1093/protein/gzx006


Bacillus subtilis BacC is an oxidoreductase involved in the biosynthesis of the potent antibiotic bacilysin. The crystal structure of BacC was determined at 1.19 angstrom resolution. An experimental charge density approach was used to calculate non-covalent interactions within the monomer and across the dimeric interface of BacC. This interaction network, in turn, enabled an analysis of non-covalently connected paths that span the protein structure. One of the pathways of non-covalent interactions was examined by mutational analysis. Biochemical analysis of BacC mutants with potential disruptions in non-covalent interactions along this path revealed that residues that form nodes in pathways of non-covalent interactions influence catalytic activity more than others in a similar chemical environment. Furthermore, we note that nodes in the non-covalent interaction networks are co-localized with compensatory mutation sites identified by multiple sequence alignment of proteins with low sequence similarity to BacC. Put together, this analysis supports the hypothesis that non-covalent nodes represent conserved structural features that can impact the catalytic activity of an enzyme.

Item Type: Journal Article
Additional Information: Copy right for this article belongs to the OXFORD UNIV PRESS, GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
Department/Centre: Division of Biological Sciences > Molecular Biophysics Unit
Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 17 Jun 2017 04:10
Last Modified: 17 Jun 2017 04:10
URI: http://eprints.iisc.ac.in/id/eprint/57239

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