Development of Chemical Bond based Elastic Network Model and its application in identifying functional motions in H5N1 highly pathogenic avian influenza viruses.
Here we proposed a Chemical Bond based Elastic Network Model (CB-ENM) method, which was demonstrated with a better performance in representing functional movements, especially the local motions, than the conventional normal mode analysis. CB-ENM was applied in characterising functional motions in surface glycoprotein Haemagglutinin (HA) of H5N1 highly pathogenic avian influenza virus. Eleven local peaks were identified amongst HA fluctuation spectrum, and eight of these peaks were correlated with the reported five antigenic binding sites and Receptor Binding Sites (RBS) in influenza viruses. Our study showed that CB-ENM has a potential in identifying functional residues in protein structure.
Jang
Yunho
Y
Department of Basic Sciences, College of Veterinary Medicine, Mississippi State University, Mississippi State, MS 39762, USA. jang.yunho@gmail.com
Wan
Xiu-Feng
XF
D000956:Antigens, Viral / Q000737:chemistry*; D001665:Binding Sites; D019267:Hemagglutinin Glycoproteins, Influenza Virus / Q000737:chemistry*; D053124:Influenza A Virus, H5N1 Subtype / Q000737:chemistry* / Q000235:genetics / Q000472:pathogenicity; D008954:Models, Biological; D008958:Models, Molecular; D016571:Neural Networks, Computer; D011487:Protein Conformation; D014758:Viral Core Proteins / Q000737:chemistry
D000956:Antigens, Viral; D019267:Hemagglutinin Glycoproteins, Influenza Virus; D014758:Viral Core Proteins