Crystal structure of human DHODH in complex with inhibitor 1289

Structure

x-ray diffraction · resolution 1.6 · 1 distinct chain.

Ligands and binding sites

• FMN · Flavin mononucleotide · ligand · chains A
• ORO · Orotic acid · ligand · chains A
• B5O · (6R)-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5H-benzotriazol-4-one · ligand · chains A
• NA · Sodium ion · metal · 2 copies · chains A
• SO4 · Sulfate ion · ion · 6 copies · chains A
• CL · Chloride ion · ion · 3 copies · chains A
• ACT · Acetate ion · additive · 6 copies · chains A
• DMS · Dimethyl sulfoxide · additive · 2 copies · chains A
• LDA · Lauryl dimethylamine-N-oxide · additive · chains A

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

Compared structures

• 6J3B · Crystal structure of human dhodh in complex with inhibitor 1289 · the same entry in another collection · chain A against A, TM-score 1.00
• Q02127 · AlphaFold monomer V2.0 prediction for dihydroorotate dehydrogenase (quinone)… · 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 Q02127
• Elsewhere: RCSB PDB 6J3B · PDBe 6J3B · UniProt Q02127