title: Identify the key amino acid of BAFF binding with TACI.
abstract: B-cell activating factor (BAFF) has been used as a therapeutic target. To develop BAFF-specific small molecular inhibitors, it is necessary to know the key amino acid in the BAFF binding with its receptor. The key binding amino acid of BAFF interacting with its receptor TACI (trans-membrane activator and calcium modulator and cyclophilin ligand interactor) was analyzed based on the computer-guided molecular modeling method. According to theoretical prediction, a series of key amino acid mutants of BAFF, including M204 (Lys(204) to Ala), M208 (Met(208) to Ala), M209 (Gly(209) to Ala), M210 (His(210) to Ala), M234 (Gln(234) to Ala), M236 (Met(236) to Ala), and M237 (Pro(237) to Ala) were designed and evaluated with biological experiments. The results show that M208, M209, M236, and M237 of BAFF were the key amino acids and in accord with the theoretical results. The results highlight clues for the further development of BAFF-specific small molecular inhibitors.
authors: Laboratory of Immunology, Institute of Basic Medical Sciences, Beijing 100850, China.
authors: Renxi
authors: R
authors: Wang
authors: Ru
authors: R
authors: Wang
authors: Ning
authors: N
authors: Ma
authors: Yueling
authors: Y
authors: Guo
authors: He
authors: H
authors: Xiao
authors: Guojiang
authors: G
authors: Chen
authors: Gencheng
authors: G
authors: Han
authors: Chunmei
authors: C
authors: Hou
authors: Beifen
authors: B
authors: Shen
authors: Jiannan
authors: J
authors: Feng
authors: Yan
authors: Y
authors: Li
mesh_terms: D000818:Animals; D053264:B-Cell Activating Factor / Q000235:genetics / Q000276:immunology / Q000378:metabolism*; D006801:Humans; D007700:Kinetics; D008715:Methionine / Q000276:immunology / Q000378:metabolism*; D051379:Mice; D008810:Mice, Inbred C57BL; D062105:Molecular Docking Simulation; D016297:Mutagenesis, Site-Directed; D011485:Protein Binding; D013047:Specific Pathogen-Free Organisms; D053303:Transmembrane Activator and CAML Interactor Protein / Q000276:immunology / Q000378:metabolism*
chemical_list: D053264:B-Cell Activating Factor; D053303:Transmembrane Activator and CAML Interactor Protein; D008715:Methionine
keywords: BAFF; Key amino acid; Molecular modeling; TACI