title: A study of the mechanism of the chaperone-like function of an scFv of human creatine kinase by computer simulation.
abstract: A new application of antibodies is to use them as macromolecular chaperones. Protein antigens usually have multiple epitopes, thus, there may be a plurality of antibodies binding to one antigen. However, not all antibodies that bind to one antigen could act as a chaperone. Experiments show that some screened anti-human creatine kinase single chain antibodies (scFV) could assist in the folding and stabilizing of the enzyme, while others could not. We built the model of the single chain antibody (scFv-A4) that increased the stability of human creatine kinase (HCK) by the homology modeling method. Epitopes of human creatine kinase were predicted by computer and then the binding of scFv-A4 and HCK was modeled with computer. The calculation results were further combined with the peptide array membrane experiment results to obtain reliable models for the scFv-A4-HCK complex. Based on the above study we gave an explanation about how scFv-A4 could act as a macromolecular chaperone assisting the folding of HCK. This study provides an approach for predicting antigen-antibody binding mode and also a useful theoretical guidance for the study of antibodies' chaperone-like function.
authors: College of Biological Science and Engineering, Fuzhou University, Fuzhou, China.
authors: Jianyu
authors: J
authors: Feng
authors: Hong
authors: H
authors: Guo
authors: Sen
authors: S
authors: Li
authors: Tun
authors: T
authors: Lu
mesh_terms: D000595:Amino Acid Sequence; D022801:Complementarity Determining Regions / Q000737:chemistry; D003198:Computer Simulation; D003402:Creatine Kinase / Q000737:chemistry* / Q000378:metabolism; D000939:Epitopes / Q000737:chemistry / Q000378:metabolism; D006801:Humans; D007133:Immunoglobulin Joining Region / Q000737:chemistry; D008958:Models, Molecular; D018832:Molecular Chaperones / Q000737:chemistry / Q000378:metabolism; D062105:Molecular Docking Simulation; D008969:Molecular Sequence Data; D010455:Peptides / Q000737:chemistry / Q000378:metabolism; D011485:Protein Binding; D011487:Protein Conformation; D016415:Sequence Alignment; D057127:Single-Chain Antibodies / Q000737:chemistry* / Q000378:metabolism
chemical_list: D022801:Complementarity Determining Regions; D000939:Epitopes; D007133:Immunoglobulin Joining Region; D018832:Molecular Chaperones; D010455:Peptides; D057127:Single-Chain Antibodies; D003402:Creatine Kinase
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