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5U2V

Structure of human MR1-HMB in complex with human MAIT A-F7 TCR

Summary for 5U2V
Entry DOI10.2210/pdb5u2v/pdb
Related5U16 5U17 5U1R 5U6Q
DescriptorMajor histocompatibility complex class I-related gene protein, Beta-2-microglobulin, MAIT T-cell receptor alpha chain, ... (8 entities in total)
Functional Keywordst-cell receptor complex, immune system
Biological sourceHomo sapiens (Human)
More
Total number of polymer chains8
Total formula weight187916.54
Authors
Keller, A.N.,Rossjohn, J. (deposition date: 2016-12-01, release date: 2017-02-08, Last modification date: 2024-11-06)
Primary citationKeller, A.N.,Eckle, S.B.,Xu, W.,Liu, L.,Hughes, V.A.,Mak, J.Y.,Meehan, B.S.,Pediongco, T.,Birkinshaw, R.W.,Chen, Z.,Wang, H.,D'Souza, C.,Kjer-Nielsen, L.,Gherardin, N.A.,Godfrey, D.I.,Kostenko, L.,Corbett, A.J.,Purcell, A.W.,Fairlie, D.P.,McCluskey, J.,Rossjohn, J.
Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18:402-411, 2017
Cited by
PubMed Abstract: The major-histocompatibility-complex-(MHC)-class-I-related molecule MR1 can present activating and non-activating vitamin-B-based ligands to mucosal-associated invariant T cells (MAIT cells). Whether MR1 binds other ligands is unknown. Here we identified a range of small organic molecules, drugs, drug metabolites and drug-like molecules, including salicylates and diclofenac, as MR1-binding ligands. Some of these ligands inhibited MAIT cells ex vivo and in vivo, while others, including diclofenac metabolites, were agonists. Crystal structures of a T cell antigen receptor (TCR) from a MAIT cell in complex with MR1 bound to the non-stimulatory and stimulatory compounds showed distinct ligand orientations and contacts within MR1, which highlighted the versatility of the MR1 binding pocket. The findings demonstrated that MR1 was able to capture chemically diverse structures, spanning mono- and bicyclic compounds, that either inhibited or activated MAIT cells. This indicated that drugs and drug-like molecules can modulate MAIT cell function in mammals.
PubMed: 28166217
DOI: 10.1038/ni.3679
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.2 Å)
Structure validation

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