Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Computational Analysis Reveals a Critical Point Mutation in the N-Terminal Region of the Signaling Lymphocytic Activation Molecule Responsible for the Cross-Species Infection with Canine Distemper Virus

Version 1 : Received: 31 January 2021 / Approved: 1 February 2021 / Online: 1 February 2021 (11:29:27 CET)

A peer-reviewed article of this Preprint also exists.

Yamamoto, Y.; Nakano, S.; Seki, F.; Shigeta, Y.; Ito, S.; Tokiwa, H.; Takeda, M. Computational Analysis Reveals a Critical Point Mutation in the N-Terminal Region of the Signaling Lymphocytic Activation Molecule Responsible for the Cross-Species Infection with Canine Distemper Virus. Molecules 2021, 26, 1262. Yamamoto, Y.; Nakano, S.; Seki, F.; Shigeta, Y.; Ito, S.; Tokiwa, H.; Takeda, M. Computational Analysis Reveals a Critical Point Mutation in the N-Terminal Region of the Signaling Lymphocytic Activation Molecule Responsible for the Cross-Species Infection with Canine Distemper Virus. Molecules 2021, 26, 1262.

Journal reference: Molecules 2021, 26, 1262
DOI: 10.3390/molecules26051262

Abstract

Infection of hosts by morbilliviruses is facilitated by the interaction between viral hemagglutinin (H-protein) and the signaling lymphocytic activation molecule (SLAM). Recently, the functional importance of the N-terminal region of human SLAM as a measles virus receptor was demonstrated. However, the functional roles of this region in the infection process by other morbilliviruses and host range determination remain unknown partly because this region is highly flexible, which has hampered accurate structure determination of this region by X-ray crystallography. In this study, we analyzed the interaction between the H-protein from canine distemper virus (CDV-H) and SLAMs by a computational chemistry approach. Molecular dynamics simulations and fragment molecular orbital analysis demonstrated that the unique His28 in the N-terminal region of SLAM from Macaca is a key determinant that enables formation of a stable interaction with CDV-H, providing a basis for CDV infection in Macaca. The computational chemistry approach presented should enable determination of molecular interactions involving regions of proteins that are difficult to predict from crystal structures because of their high flexibility.

Subject Areas

canine distemper virus; signaling lymphocytic activation molecule; fragment molecular orbital calculation; molecular dynamics simulation

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