Statistical deconvolution of enthalpic energetic contributions to MHC-peptide binding affinity.

ABSTRACT:

Background

MHC Class I molecules present antigenic peptides to cytotoxic T cells, which forms an integral part of the adaptive immune response. Peptides are bound within a groove formed by the MHC heavy chain. Previous approaches to MHC Class I-peptide binding prediction have largely concentrated on the peptide anchor residues located at the P2 and C-terminus positions.

Results

A large dataset comprising MHC-peptide structural complexes was created by re-modelling pre-determined x-ray crystallographic structures. Static energetic analysis, following energy minimisation, was performed on the dataset in order to characterise interactions between bound peptides and the MHC Class I molecule, partitioning the interactions within the groove into van der Waals, electrostatic and to

SUBMITTER: Davies MN 

PROVIDER: S-EPMC1435758 | biostudies-literature | 2006 Mar

REPOSITORIES: biostudies-literature