4ELG
Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase
Summary for 4ELG
Entry DOI | 10.2210/pdb4elg/pdb |
Related | 3ELB 3ELE 3ELF 3FL8 3FL9 4ELH |
Descriptor | Dihydrofolate reductase, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2-en-1-one, CALCIUM ION, ... (6 entities in total) |
Functional Keywords | dihydrofolate reductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
Biological source | Bacillus anthracis (anthrax,anthrax bacterium) |
Total number of polymer chains | 8 |
Total formula weight | 162533.79 |
Authors | Bourne, C.R.,Barrow, W.W. (deposition date: 2012-04-10, release date: 2013-02-13, Last modification date: 2023-09-13) |
Primary citation | Bourne, C.R.,Wakeham, N.,Nammalwar, B.,Tseitin, V.,Bourne, P.C.,Barrow, E.W.,Mylvaganam, S.,Ramnarayan, K.,Bunce, R.A.,Berlin, K.D.,Barrow, W.W. Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase. Biochim.Biophys.Acta, 1834:46-52, 2013 Cited by PubMed: 22999981DOI: 10.1016/j.bbapap.2012.09.001 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.101 Å) |
Structure validation
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