7F3B

cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor.

Summary for 7F3B

• Entry DOI: 10.2210/pdb7f3b/pdb
• Descriptor: Dihydrofolate reductase, 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, GLYCEROL (3 entities in total)
• Functional Keywords: folate pathway, dihydrofolate reductase, catalyze the reduction of dihydrofolate to tetrahydrofolate, antibiotic
• Biological source: Escherichia coli (strain K12)
• Total number of polymer chains: 1
• Total formula weight: 19339.74

Authors

Wang, H.,You, X.F.,Yang, X.Y.,Li, Y.,Hong, W. (deposition date: 2021-06-16, release date: 2022-04-27, Last modification date: 2023-11-29)

• Primary citation: Li, Y.,Ouyang, Y.,Wu, H.,Wang, P.,Huang, Y.,Li, X.,Chen, H.,Sun, Y.,Hu, X.,Wang, X.,Li, G.,Lu, Y.,Li, C.,Lu, X.,Pang, J.,Nie, T.,Sang, X.,Dong, L.,Dong, W.,Jiang, J.,Paterson, I.C.,Yang, X.,Hong, W.,Wang, H.,You, X.; The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates.; Eur.J.Med.Chem., 228:113979-113979, 2022; PubMed: 34802838; DOI: 10.1016/j.ejmech.2021.113979

Experimental method

X-RAY DIFFRACTION (2.81 Å)