Crystal structure of IDO1 in complex with apoxidole-1

Structure

x-ray diffraction · 1 distinct chain · 60% helix, 4% strand (DSSP).

Ligands and binding sites

• N39 · O1-tert-butyl O2-ethyl O5-methyl (E,5R)-5-(1-methylindol-2-yl)-5-[(4-methylphenyl) sulfonylamino]pent-2-ene-1,2,5-tricarboxylate · ligand · chains A
• N2U · O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate · ligand · chains A
• PGE · Triethylene glycol · additive · 5 copies · chains A
• PG4 · Tetraethylene glycol · additive · 2 copies · chains A

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

Pockets

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

Compared structures

• 8ABX · Crystal structure of IDO1 in complex with Apoxidole-1 · the same entry in another collection · chain A against A, TM-score 1.00
• P14902 · AlphaFold monomer V2.0 prediction for indoleamine 2,3-dioxygenase 1 (P14902) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P14902
• Elsewhere: RCSB PDB 8ABX · PDBe 8ABX · UniProt P14902