8TBW

Human Class I MHC HLA-A2 in complex with sorting nexin 24 (127-135) peptide KLSHQPVLL

Summary for 8TBW

• Entry DOI: 10.2210/pdb8tbw/pdb
• Descriptor: HLA-A*02:01 alpha chain, Beta-2-microglobulin, Sorting nexin 24 (127-135) peptide, ... (5 entities in total)
• Functional Keywords: complex, mhc-i, antigen presentation, immune system
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 6
• Total formula weight: 89663.66

Authors

Arbuiso, A.,Weiss, L.I.,Brambley, C.A.,Ma, J.,Keller, G.L.J.,Ayres, C.M.,Baker, B.M. (deposition date: 2023-06-29, release date: 2024-01-10, Last modification date: 2024-02-14)

Primary citation

Mikhaylov, V.,Brambley, C.A.,Keller, G.L.J.,Arbuiso, A.G.,Weiss, L.I.,Baker, B.M.,Levine, A.J.
Accurate modeling of peptide-MHC structures with AlphaFold.
Structure, 32:228-, 2024

PubMed Abstract: Major histocompatibility complex (MHC) proteins present peptides on the cell surface for T cell surveillance. Reliable in silico prediction of which peptides would be presented and which T cell receptors would recognize them is an important problem in structural immunology. Here, we introduce an AlphaFold-based pipeline for predicting the three-dimensional structures of peptide-MHC complexes for class I and class II MHC molecules. Our method demonstrates high accuracy, outperforming existing tools in class I modeling accuracy and class II peptide register prediction. We validate its performance and utility with new experimental data on a recently described cancer neoantigen/wild-type peptide pair and explore applications toward improving peptide-MHC binding prediction.

PubMed: 38113889
DOI: 10.1016/j.str.2023.11.011

Experimental method

X-RAY DIFFRACTION (2.081 Å)