title: Computational identification of epitopes in the glycoproteins of novel bunyavirus (SFTS virus) recognized by a human monoclonal antibody (MAb 4-5).
abstract: In this work, we have developed a new approach to predict the epitopes of antigens that are recognized by a specific antibody. Our method is based on the "multiple copy simultaneous search" (MCSS) approach which identifies optimal locations of small chemical functional groups on the surfaces of the antibody, and identifying sequence patterns of peptides that can bind to the surface of the antibody. The identified sequence patterns are then used to search the amino-acid sequence of the antigen protein. The approach was validated by reproducing the binding epitope of HIV gp120 envelop glycoprotein for the human neutralizing antibody as revealed in the available crystal structure. Our method was then applied to predict the epitopes of two glycoproteins of a newly discovered bunyavirus recognized by an antibody named MAb 4-5. These predicted epitopes can be verified by experimental methods. We also discuss the involvement of different amino acids in the antigen-antibody recognition based on the distributions of MCSS minima of different functional groups.
authors.affiliation: Key Laboratory of Enteric Pathogenic Microbiology, Jiangsu Provincial Center for Disease Prevention and Control, Institute of Pathogenic Microbiology, Ministry Health, Nanjing 210009, China.
authors.forename: Wenshuai
authors.initials: W
authors.lastname: Zhang
authors.forename: Xiaoyan
authors.initials: X
authors.lastname: Zeng
authors.forename: Li
authors.initials: L
authors.lastname: Zhang
authors.forename: Haiyan
authors.initials: H
authors.lastname: Peng
authors.forename: Yongjun
authors.initials: Y
authors.lastname: Jiao
authors.forename: Jun
authors.initials: J
authors.lastname: Zeng
authors.forename: Herbert R
authors.initials: HR
authors.lastname: Treutlein
mesh_terms: D000595:Amino Acid Sequence; D000911:Antibodies, Monoclonal / Q000737:chemistry* / Q000276:immunology; D000939:Epitopes / Q000737:chemistry* / Q000276:immunology; D006023:Glycoproteins / Q000737:chemistry* / Q000276:immunology; D015699:HIV Envelope Protein gp120 / Q000737:chemistry*; D015497:HIV-1 / Q000737:chemistry / Q000472:pathogenicity; D006801:Humans; D016851:Orthobunyavirus / Q000276:immunology
chemical_list: D000911:Antibodies, Monoclonal; D000939:Epitopes; D006023:Glycoproteins; D015699:HIV Envelope Protein gp120