Computational simulation of interactions between SARS coronavirus spike mutants and host species-specific receptors.

Full Abstract

As a critical adaptive mechanism, amino acid replacements on the severe acute respiratory syndrome coronavirus (SARS-CoV) spike protein could alter the receptor-binding specificity of this envelope glycoprotein and in turn lead to the emergence or reemergence of this viral zoonosis. Based on the X-ray structures of SARS-CoV spike receptor-binding domain (RBD) in complex with its functional receptor (angiotensin-converting enzyme 2, ACE2), we perform computational simulations of interactions between three representative RBD mutants and four host species-specific receptors. The comparisons between computational predictions and experimental evidences validate our structural bioinformatics approaches. And the predictions further indicate that some viral prototypes might utilize the rat ACE2 while rats might serve as a vector or reservoir of SARS-CoV.

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Author information

Author/s: Zhang, Yuan (Y); Zheng, Nan (N); Nan, Peng (P); Cao, Ying (Y); Hasegawa, Masami (M); Zhong, Yang (Y);

Affiliation: School of Life Sciences, Fudan University, Shanghai 200433, China. yuanzhang5(-atsign-)fudan.edu.cn

Journal and publication information

Publication Type: Journal Article

Journal: Computational biology and chemistry (Comput Biol Chem), published in England. (Language: eng)

Reference: 2007-Apr; vol 31 (issue 2) : pp 134-7

Dates: Created 2007/04/09; Completed 2007/06/01;

PMID: 17368104, status: MEDLINE (last retrieval date: 12/26/2008)

Sourced from the National Library of Medicine. Abstract text and other information may be subject to copyright.

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MeSH headings (categories)

This article was linked to the MESH Headings shown below.

Animals
Cats
Computational Biology - methods
Humans
Membrane Glycoproteins - chemistry; genetics; metabolism
Mice
Mutation

Peptidyl-Dipeptidase A - chemistry; metabolism
Protein Binding
Rats
Receptors, Virus - chemistry; metabolism
SARS Virus - genetics; metabolism
Species Specificity
Viral Envelope Proteins - chemistry; genetics; metabolism

Associated Chemicals: Membrane Glycoproteins (0) ; Receptors, Virus (0) ; Viral Envelope Proteins (0) ; spike glycoprotein, coronavirus (107476-75-5) ; Peptidyl-Dipeptidase A (EC 3.4.15.1) ; angiotensin converting enzyme 2 (EC 3.4.17.-)

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