The internal aldimine form of the wild-type salmonella typhimurium tryptophan synthase with sodium ion at the metal coordination site, two molecules of F6F inhibitor at the enzyme alpha-site and another F6F molecule at the enzyme beta-site at 1.40 ångström resolution

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 18% strand (DSSP).

Ligands and binding sites

• F6F · 2-{[4-(trifluoromethoxy)benzoyl]amino}ethyl dihydrogen phosphate · ligand · 3 copies · chains A, B
• PLP · Pyridoxal-5'-phosphate · ligand · chains B
• NA · Sodium ion · metal · chains B
• CL · Chloride ion · ion · 3 copies · chains A, B
• DMS · Dimethyl sulfoxide · additive · 24 copies · chains A, B
• EDO · 1,2-ethanediol · additive · 7 copies · chains A, B
• PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains B
• GOL · Glycerol · additive · 2 copies · chains 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, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1325 Ų buried · 25 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 cofactor (pyridoxal phosphate Schiff base).

Compared structures

• 7KU9 · The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase… · 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 P00929
• Every structure of UniProt P0A2K1
• Elsewhere: RCSB PDB 7KU9 · PDBe 7KU9 · UniProt P00929 · UniProt P0A2K1