Crystal structure of the H51N mutant of the 3,4-ketoisomerase qdta from thermoanaerobacterium thermosaccharolyticum in complex with tdp- 4-keto-6-deoxyglucose

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 49% strand (DSSP).

Ligands and binding sites

• T46 · dTDP-4-keto-6-deoxyglucose · ligand · 2 copies · chains A, B
• 4TD · (2S)-1-[3-[(2S)-2-oxidanylpropoxy]-2-[[(2S)-2-oxidanylpropoxy]methyl]-2-[[(2R)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol · ligand · chains B
• EDO · 1,2-ethanediol · additive · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1630 Ų buried · 28 hydrogen bonds · protein-protein

Compared structures

• 4O9G · Crystal structure of the H51N mutant of the 3,4-ketoisomerase QdtA from… · 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 Q6TFC5
• Elsewhere: RCSB PDB 4O9G · PDBe 4O9G · UniProt Q6TFC5