in meso full-length rat KMO in complex with an inhibitor identified via DNA-encoded chemical library screening

Structure

x-ray diffraction · resolution 3 · 2 distinct chains.

Ligands and binding sites

• FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
• EGU · 4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid · ligand · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · 2 copies · chains A, B
• CL · Chloride ion · ion · 2 copies · chains A, B

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

Compared structures

• 6LKE · In meso full-length rat kmo in complex with an inhibitor identified via DNA-encoded… · the same entry in another collection · chain A against A, TM-score 1.00
• O88867 · AlphaFold monomer V2.0 prediction for kynurenine 3-monooxygenase (O88867) · a predicted model of the same protein · chain B 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 O88867
• Elsewhere: RCSB PDB 6LKE · PDBe 6LKE · UniProt O88867