Huczko E L, Bodnar W M, Benjamin D, Sakaguchi K, Zhu N Z, Shabanowitz J, Henderson R A, Appella E, Hunt D F, Engelhard V H
Beirne Carter Center for Immunology Research, University of Virginia, Charlottesville 22901.
J Immunol. 1993 Sep 1;151(5):2572-87.
Microcapillary HPLC electrospray ionization tandem mass spectrometry was used to sequence 15 peptides eluted from HLA-B7. Sequence alignment implicated four peptide positions in specific interactions with the class I molecule, and their importance was confirmed using synthetic peptides. Because no crystal structure for HLA-B7 was available, computer-assisted modeling was used to understand novel aspects of peptide binding specificity and to accurately predict the effect of defined changes in peptide structure. The results demonstrate that mass-spectrometric sequencing coupled with computer-assisted modeling can be used in the absence of a crystal structure to make accurate predictions concerning requirements for peptide binding to class I molecules. These techniques may be valuable to predict or engineer T cell epitopes.
采用微毛细管高效液相色谱电喷雾电离串联质谱法对从HLA - B7洗脱的15种肽进行测序。序列比对表明有四个肽段位置与I类分子存在特异性相互作用，使用合成肽证实了它们的重要性。由于没有HLA - B7的晶体结构，因此利用计算机辅助建模来了解肽结合特异性的新方面，并准确预测肽结构中特定变化的影响。结果表明，在没有晶体结构的情况下，质谱测序与计算机辅助建模相结合可用于准确预测肽与I类分子结合的要求。这些技术对于预测或设计T细胞表位可能具有重要价值。
