Crystal structure wlard, a sugar 3N-formyl transferase in the presence of dtdp-FUC3NFO and 5-N-formyl-thf

Structure

x-ray diffraction · 2 distinct chains · 25% helix, 27% strand (DSSP).

Ligands and binding sites

• FON · N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid · ligand · 2 copies · chains A, B
• FNF · (2R,3R,4S,5R,6R)-4-(formylamino)-3,5-dihydroxy-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 (non-preferred name) · ligand · 2 copies · chains A, B
• CL · Chloride ion · ion · chains A
• MPO · 3[N-morpholino]propane sulfonic acid · additive · 4 copies · chains A, B
• EDO · 1,2-ethanediol · additive · 4 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 1277 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

• 4LXX · Crystal structure WlaRD, a sugar 3N-formyl transferase in the presence of dTDP-Fuc3NFo… · the same entry in another collection · chain B against B, 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 A8FMJ3
• Elsewhere: RCSB PDB 4LXX · PDBe 4LXX · UniProt A8FMJ3