Structure-based modeling and dynamics of MurM, a Streptococcus pneumoniae penicillin resistance determinant present at the cytoplasmic membrane

Accepted/In Press date: 1 March 2021

Published date: 1 July 2021

Additional Information: Funding Information: This research was supported in part by the Midlands Integrative Biosciences Training Partnership (MIBTP) BBSRC grant BB/J014532/1 , and the Center for Doctoral Training in Theory and Modeling in Chemical Sciences (TMCS DTC) EPSRC grant EP/L015722/1 , as well as MRC grants G1100127 , G0400848 , MR/N002679/1 and BBSRC grant BB/N003241/1 . The authors would like to acknowledge the help of the Media Preparation Facility in the School of Life Sciences at the University of Warwick. We would also like to thank Dr Allister Crow for his help and support with using PyMOL. Funding Information: This research was supported in part by the Midlands Integrative Biosciences Training Partnership (MIBTP) BBSRC grant BB/J014532/1, and the Center for Doctoral Training in Theory and Modeling in Chemical Sciences (TMCS DTC) EPSRC grant EP/L015722/1, as well as MRC grants G1100127, G0400848, MR/N002679/1 and BBSRC grant BB/N003241/1. The authors would like to acknowledge the help of the Media Preparation Facility in the School of Life Sciences at the University of Warwick. We would also like to thank Dr Allister Crow for his help and support with using PyMOL. Conceptualization, A.Y. A.J.L. D.I.R. and S.K.; Investigation, K.F. K.J.H. V.F. A.J.L. A.Y. J.S. and C.I.d.G.; Methodology/software/formal analysis, C.I.d.G. J.S. A.Y. and S.K.; Writing ? original draft, A.Y. J.S. and C.I.d.G.; Writing ? review & editing, A.Y. A.J.L. S.K. D.I.R. and C.G.D.; Funding acquisition, A.Y. J.S. and C.G.D.; Supervision, A.J.L. D.I.R. S.K. and C.G.D.; Project administration, A.Y.; Visualization, A.Y. A.J.L. J.S. and S.K. The authors declare no competing interests. Publisher Copyright: © 2021 The Authors Copyright: Copyright 2021 Elsevier B.V., All rights reserved.

Keywords: MurM, Streptococcus pneumoniae, homology modeling, indirect crosslinks, lipid bilayer, molecular docking, molecular dynamics, penicillin resistance, peptidoglycan

Local EPrints ID: 450399

URI: http://eprints.soton.ac.uk/id/eprint/450399

DOI: doi:10.1016/j.str.2021.03.001

ISSN: 0969-2126

PURE UUID: c6bddff4-6573-4ad5-8b90-1676d996a7cd

ORCID for Syma Khalid: orcid.org/0000-0002-3694-5044

Date deposited: 27 Jul 2021 17:23

Last modified: 17 Mar 2024 06:42