X-ray structure of the wlarf aminotransferase from campylobacter jejuni, K184A mutant in complex with tdp-QUI3N

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 17% 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 · 4 copies · chains A, B, C, D
• NA · Sodium ion · metal · 2 copies · chains A, B, C, D
• CL · Chloride ion · ion · chains A
• EDO · 1,2-ethanediol · additive · 6 copies · chains A, B, D

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

Pockets

15 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Interfaces

3 interfaces between chains.

• C–D · 2477 Ų buried · 22 hydrogen bonds · protein-protein
• A–B · 2472 Ų buried · 21 hydrogen bonds · protein-protein
• B–C · 798 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

• 5U21 · X-ray structure of the WlaRF aminotransferase from Campylobacter jejuni, K184A mutant in… · 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 Q9ALS9
• Elsewhere: RCSB PDB 5U21 · PDBe 5U21 · UniProt Q9ALS9