3FRF
S. aureus DHFR complexed with NADPH and iclaprim
Summary for 3FRF
| Entry DOI | 10.2210/pdb3frf/pdb |
| Related | 3FRA 3FRB 3FRD 3FRE |
| Descriptor | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, ... (4 entities in total) |
| Functional Keywords | dhfr, oxidoreductase, nadp, one-carbon metabolism |
| Biological source | Staphylococcus aureus |
| Total number of polymer chains | 1 |
| Total formula weight | 19244.56 |
| Authors | Oefner, C.,Dale-Glenn, E. (deposition date: 2009-01-08, release date: 2010-01-12, Last modification date: 2024-03-20) |
| Primary citation | Oefner, C.,Bandera, M.,Haldimann, A.,Laue, H.,Schulz, H.,Mukhija, S.,Parisi, S.,Weiss, L.,Lociuro, S.,Dale, G.E. Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity J.Antimicrob.Chemother., 63:687-698, 2009 Cited by PubMed Abstract: Iclaprim is a novel 2,4-diaminopyrimidine that exhibits potent, rapid bactericidal activity against major Gram-positive pathogens, including methicillin-susceptible Staphylococcus aureus and methicillin-resistant S. aureus, and is currently in clinical development for the treatment of complicated skin and skin structure infections. An understanding of the known mechanism of resistance to trimethoprim led to the design of this new inhibitor, with improved affinity towards dihydrofolate reductase (DHFR) from S. aureus and clinically useful activity against S. aureus including isolates resistant to trimethoprim. The objective of this study was to characterize the mode of action of iclaprim and its inhibitory properties against DHFR. PubMed: 19211577DOI: 10.1093/jac/dkp024 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
Download full validation report
