Crystal structure of tryptophan synthase from salmonella typhimurium in complex with F9 ligand in the alpha-site and the product L- tryptophan in the beta-site.

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 18% strand (DSSP).

Ligands and binding sites

• F9F · 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate · ligand · chains A, B
• PLP · Pyridoxal-5'-phosphate · ligand · chains B
• TRP · Tryptophan · ligand · chains B
• BCN · Bicine · ligand · chains B
• CS · Cesium ion · metal · 3 copies · chains A, B
• EDO · 1,2-ethanediol · additive · 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 · 1442 Ų buried · 28 hydrogen bonds · protein-protein

Modifications

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

Compared structures

• 5CGQ · Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with F9… · the same entry in another collection · chain A against A, TM-score 1.00
• P0A2K1 · AlphaFold monomer V2.0 prediction for tryptophan synthase beta chain (P0A2K1) · a predicted model of the same protein · chain B against A, TM-score 0.99
• P00929 · AlphaFold monomer V2.0 prediction for tryptophan synthase alpha chain (P00929) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 5CGQ · PDBe 5CGQ · UniProt P00929 · UniProt P0A2K1