title: Characteristics of endogenous peptides eluted from the class I MHC molecule HLA-B7 determined by mass spectrometry and computer modeling.
abstract: 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.
authors.affiliation: Beirne Carter Center for Immunology Research, University of Virginia, Charlottesville 22901.
authors.forename: E L
authors.initials: EL
authors.lastname: Huczko
authors.forename: W M
authors.initials: WM
authors.lastname: Bodnar
authors.forename: D
authors.initials: D
authors.lastname: Benjamin
authors.forename: K
authors.initials: K
authors.lastname: Sakaguchi
authors.forename: N Z
authors.initials: NZ
authors.lastname: Zhu
authors.forename: J
authors.initials: J
authors.lastname: Shabanowitz
authors.forename: R A
authors.initials: RA
authors.lastname: Henderson
authors.forename: E
authors.initials: E
authors.lastname: Appella
authors.forename: D F
authors.initials: DF
authors.lastname: Hunt
authors.forename: V H
authors.initials: VH
authors.lastname: Engelhard
mesh_terms: D000595:Amino Acid Sequence; D003196:Computer Graphics; D003198:Computer Simulation; D017124:Conserved Sequence; D015234:HLA-A Antigens / Q000737:chemistry; D015793:HLA-B7 Antigen / Q000737:chemistry*; D013058:Mass Spectrometry; D008958:Models, Molecular; D008969:Molecular Sequence Data; D010455:Peptides / Q000737:chemistry*
chemical_list: D015234:HLA-A Antigens; D015793:HLA-B7 Antigen; D010455:Peptides