6NXZ

Crystal structure of trimethoprim-resistant type II dihydrofolate reductase in complex with a bisbenzimidazole inhibitor

Summary for 6NXZ

• Entry DOI: 10.2210/pdb6nxz/pdb
• Descriptor: Dihydrofolate reductase type 2, 2-[4-[(2~{R})-4-[4-(6-carboxy-1~{H}-benzimidazol-2-yl)phenoxy]-2-oxidanyl-butoxy]phenyl]-1~{H}-benzimidazole-5-carboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, ... (5 entities in total)
• Functional Keywords: antibiotic resistance; selective inhibitor; r67 dhfr; sh3-like barrel, antibiotic, oxidoreductase
• Biological source: Escherichia coli
• Total number of polymer chains: 1
• Total formula weight: 7643.40

Authors

Yachnin, B.J.,Berghuis, A.M. (deposition date: 2019-02-10, release date: 2019-05-29, Last modification date: 2023-10-11)

• Primary citation: Toulouse, J.L.,Yachnin, B.J.,Ruediger, E.H.,Deon, D.,Gagnon, M.,Saint-Jacques, K.,Ebert, M.C.C.J.C.,Forge, D.,Bastien, D.,Colin, D.Y.,Vanden Eynde, J.J.,Marinier, A.,Berghuis, A.M.,Pelletier, J.N.; Structure-Based Design of Dimeric Bisbenzimidazole Inhibitors to an Emergent Trimethoprim-Resistant Type II Dihydrofolate Reductase Guides the Design of Monomeric Analogues.; Acs Omega, 4:10056-10069, 2019; PubMed: 31460098; DOI: 10.1021/acsomega.9b00640

Experimental method

X-RAY DIFFRACTION (1.75 Å)