title: Antibody recognition of Shiga toxins (Stxs): computational identification of the epitopes of Stx2 subunit A to the antibodies 11E10 and S2C4.
abstract: We have recently developed a new method to predict the epitopes of the antigens that are recognized by a specific antibody. In this work, we applied the method to identify the epitopes of the Shiga toxin (Stx2 subunit A) that were bound by two specific antibodies 11E10 and S2C4. The predicted epitopes of Stx2 binding to the antibody 11E10 resembles the recognition surface constructed by the regions of Stx2 identified experimentally. For the S2C4, our results indicate that the antibody recognizes the Stx2 at two different regions on the protein surface. The first region (residues 246-254: ARSVRAVNE) is similar to the recognition region of the 11E10, while the second region is formed by two epitopes. The second region is particularly significant because it includes the amino acid sequence region that is diverse between Stx2 and other Stx (residues 176-188: QREFRQALSETAPV). This new recognition region is believed to play an important role in the experimentally observed selectivity of S2C4 to the Stx2.
authors: Institute of Pathogenic Microbiology, Jiangsu Provincial Center for Disease Prevention and Control, Key Laboratory of Enteric Pathogenic Microbiology, Ministry Health, Nanjing, China.
authors: Yongjun
authors: Y
authors: Jiao
authors: Computist Bio-Nanotech, Small Technology Clusters, Scoresby, Victoria, Australia.
authors: Fiona S
authors: FS
authors: Legge
authors: Institute of Pathogenic Microbiology, Jiangsu Provincial Center for Disease Prevention and Control, Key Laboratory of Enteric Pathogenic Microbiology, Ministry Health, Nanjing, China.
authors: Xiaoyan
authors: X
authors: Zeng
authors: Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Victoria, Australia ; Computist Bio-Nanotech, Small Technology Clusters, Scoresby, Victoria, Australia.
authors: Herbert R
authors: HR
authors: Treutlein
authors: Monash Institute of Pharmaceutical Sciences, Monash University, Parkville, Victoria, Australia ; Computist Bio-Nanotech, Small Technology Clusters, Scoresby, Victoria, Australia.
authors: Jun
authors: J
authors: Zeng
mesh_terms: D000595:Amino Acid Sequence; D000907:Antibodies, Bacterial / Q000276:immunology*; D019295:Computational Biology / Q000379:methods*; D000939:Epitopes / Q000737:chemistry / Q000276:immunology*; D007143:Immunoglobulin Heavy Chains / Q000737:chemistry / Q000276:immunology; D007147:Immunoglobulin Light Chains / Q000737:chemistry / Q000276:immunology; D007135:Immunoglobulin Variable Region / Q000737:chemistry / Q000276:immunology; D008958:Models, Molecular; D008969:Molecular Sequence Data; D010455:Peptides / Q000737:chemistry / Q000276:immunology; D017434:Protein Structure, Tertiary; D021122:Protein Subunits / Q000737:chemistry / Q000276:immunology*; D016415:Sequence Alignment; D022641:Shiga Toxin 2 / Q000737:chemistry / Q000276:immunology*
chemical_list: D000907:Antibodies, Bacterial; D000939:Epitopes; D007143:Immunoglobulin Heavy Chains; D007147:Immunoglobulin Light Chains; D007135:Immunoglobulin Variable Region; D010455:Peptides; D021122:Protein Subunits; D022641:Shiga Toxin 2