7T5Y

E. coli dihydroorotate dehydrogenase bound to the inhibitor HMNQ

Summary for 7T5Y

• Entry DOI: 10.2210/pdb7t5y/pdb
• Related: 7T5K 7T6C 7T6H
• Descriptor: Dihydroorotate dehydrogenase (quinone), 3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one, PHOSPHATE ION, ... (6 entities in total)
• Functional Keywords: inhibitor, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Escherichia coli K-12
• Total number of polymer chains: 2
• Total formula weight: 82457.18

Authors

Horwitz, S.M.,Ambarian, J.A.,Davis, K.M. (deposition date: 2021-12-13, release date: 2022-03-02, Last modification date: 2024-12-25)

Primary citation

Horwitz, S.M.,Blue, T.C.,Ambarian, J.A.,Hoshino, S.,Seyedsayamdost, M.R.,Davis, K.M.
Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines.
Rsc Chem Biol, 3:420-425, 2022

PubMed Abstract: Hydroxyalkylquinolines (HAQs) are ubiquitious natural products but their interactions with associated protein targets remain elusive. We report X-ray crystal structures of two HAQs in complex with dihydroorotate dehydrogenase (DHODH). Our results reveal the structural basis of DHODH inhibition by HAQs and open the door to downstream structure-activity relationship studies.

PubMed: 35441142
DOI: 10.1039/d1cb00255d

Experimental method

X-RAY DIFFRACTION (2.62 Å)