Crystal structure of the human tgt catalytic subunit QTRT1 in complex with queuine

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).

Ligands and binding sites

• QEI · 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one · ligand · 2 copies · chains A, B
• GGL · Gamma-L-glutamic acid · ligand · chains B
• ZN · Zinc ion · metal · 2 copies · chains A, B
• K · Potassium ion · metal · 2 copies · chains A, B
• CL · Chloride ion · ion · 5 copies · chains A, B
• BR · Bromide ion · ion · 4 copies · chains A, B

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

Pockets

9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 672 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (oxidation).

Compared structures

• 6H45 · crystal structure of the human TGT catalytic subunit QTRT1 in complex with queuine · the same entry in another collection · chain A against A, TM-score 1.00
• Q9BXR0 · AlphaFold monomer V2.0 prediction for queuine tRNA-ribosyltransferase catalytic subunit 1… · a predicted model of the same protein · chain A against A, TM-score 0.96

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 Q9BXR0
• Elsewhere: RCSB PDB 6H45 · PDBe 6H45 · UniProt Q9BXR0