Structure of human MR1-5-op-ru in complex with human mait TRBV20 TCR

Structure

x-ray diffraction · 4 distinct chains · 12% helix, 46% strand (DSSP).

Ligands and binding sites

• 2LJ · 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol · ligand · chains A, C, D
• NA · Sodium ion · metal · chains C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Interfaces

4 interfaces between chains.

• C–D · 1884 Ų buried · 19 hydrogen bonds · protein-protein
• A–B · 1204 Ų buried · 15 hydrogen bonds · protein-protein
• A–C · 686 Ų buried · 7 hydrogen bonds · protein-protein
• A–D · 501 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide, 1 covalent (disulfide, covalent ligand).

Compared structures

• 4PJ8 · Structure of human MR1-5-OP-RU in complex with human MAIT TRBV20 TCR · the same entry in another collection · chain A against A, TM-score 1.00
• Q95460 · AlphaFold monomer V2.0 prediction for major histocompatibility complex class I-related… · a predicted model of the same protein · chain A against A, TM-score 0.98
• P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain B against A, TM-score 0.97

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q95460
• Every structure of UniProt P61769
• Elsewhere: RCSB PDB 4PJ8 · PDBe 4PJ8 · UniProt Q95460 · UniProt P61769