6NY0

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

Summary for 6NY0

Entry DOI	10.2210/pdb6ny0/pdb
Descriptor	Dihydrofolate reductase type 2, 2-(4-{3-[4-(6-carboxy-1H-benzimidazol-2-yl)phenoxy]-2-hydroxypropoxy}phenyl)-1H-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	7625.22
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 Cited by PubMed: 31460098 DOI: 10.1021/acsomega.9b00640 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.4 Å)

Structure validation