X-ray structure of qdtb from T. thermosaccharolyticum in complex with a PLP:TDP-3-aminoquinovose aldimine

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 18% strand (DSSP).

Ligands and binding sites

• TQP · (2R,3R,4S,5S,6R)-3,5-dihydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate · ligand · 2 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 2538 Ų buried · 33 hydrogen bonds · protein-protein

Compared structures

• 3FRK · X-ray structure of QdtB from T. thermosaccharolyticum in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00

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 Q6TFC4
• Elsewhere: RCSB PDB 3FRK · PDBe 3FRK · UniProt Q6TFC4