Antigen-dependent fluorescence response of anti-c-Myc Quenchbody studied by molecular dynamics simulations

Autor: Hisashi Okumura, Takayoshi Watanabe, Takahiro Hohsaka, Yoshiharu Mori
Rok vydání: 2018
Předmět:
Zdroj: Chemical Physics Letters. 698:223-226
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2018.03.011
Popis: We performed metadynamics molecular dynamics simulations to reveal mechanism of antigen-dependent fluorescence response observed for site-specifically fluorescent-labeled single-chain antibody against c-Myc peptide antigen. We found that V H and V L bind with each other only when the antigen exists and that the fluorophore labeled at the N-terminus of V H interacts with Trp103 most stably. These results support the mechanism proposed from previous experiments: In the absence of antigen, Trp residues are partially exposed at the interface of V H and quench the fluorophore. In the presence of antigen, the Trp residues are buried between V H and V L , and the quenching is eliminated.
Databáze: OpenAIRE