8ec5

Structures of HLA-B8E76C loaded with long peptides reveal novel features at the N-terminus of the groove

spinqualitylabelsall models 8ec5, resolution 1.22Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 8ec5 is a 3 chain structure with sequence from Homo sapiens and Human immunodeficiency virus 1. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.22Å Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function Q5SS57_HUMAN Publication Abstract from PubMed Studies have suggested that MHC class I (MHC I) molecules fluctuate rapidly between numerous conformational states and these motions support peptide sampling. To date, MHC I intermediates are largely uncharacterized experimentally and remain elusive. Here, we present x-ray crystal structures of HLA-B8 loaded with 20mer peptides that show pronounced distortions at the N-terminus of the groove. Long stretches of N-terminal amino acid residues are missing in the electron density maps creating an open-ended groove. Our structures also reveal highly unusual features in MHC I-peptide interaction at the N-terminus of the groove. Molecular dynamics simulations indicate that the complexes have varying degrees of conformational flexibility in a manner consistent with the structures. We suggest that our structures have captured the remarkable molecular dynamics of MHC I-peptide interaction. The visualization of peptide-dependent conformational motions in MHC I is a major step forward in our conceptual understanding of dynamics in high-affinity peptide selection. Crystal structures of MHC class I complexes reveal the elusive intermediate conformations explored during peptide editing.,Li L, Peng X, Batliwala M, Bouvier M Nat Commun. 2023 Aug 18;14(1):5020. doi: 10.1038/s41467-023-40736-6. PMID:37596268 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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