4ELH

Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase

Summary for 4ELH

Entry DOI	10.2210/pdb4elh/pdb
Related	3ELB 3ELE 3ELF 3FL8 3FL9 4ELG
Descriptor	Dihydrofolate reductase, CALCIUM ION, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-y l]prop-2-en-1-one, ... (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	162015.06
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: 22999981 DOI: 10.1016/j.bbapap.2012.09.001 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.103 Å)

Structure validation