7REB

E. coli dihydrofolate reductase complexed with 5-(3-(7-(4-(aminomethyl)phenyl)benzo[d][1,3]dioxol-5-yl)but-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine (UCP1223)

Summary for 7REB

Entry DOI	10.2210/pdb7reb/pdb
Descriptor	Dihydrofolate reductase, SULFATE ION, 5-[(3R)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, ... (4 entities in total)
Functional Keywords	inhibitor, antifolate, dhfr, oxidoreductase
Biological source	Escherichia coli
Total number of polymer chains	1
Total formula weight	19350.53
Authors	Lombardo, M.N.,Wright, D.L. (deposition date: 2021-07-12, release date: 2022-07-27, Last modification date: 2023-10-18)
Primary citation	Krucinska, J.,Lombardo, M.N.,Erlandsen, H.,Estrada, A.,Si, D.,Viswanathan, K.,Wright, D.L. Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens. Commun Biol, 5:459-459, 2022 Cited by PubMed: 35562546 DOI: 10.1038/s42003-022-03384-y PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.91 Å)

Structure validation