3ESJ

Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand

Summary for 3ESJ

Entry DOI	10.2210/pdb3esj/pdb
Descriptor	2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION, 4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one, ... (6 entities in total)
Functional Keywords	mecdp-synthase, isoprene biosynthesis, lyase, magnesium, manganese, metal-binding
Biological source	Escherichia coli K-12
Total number of polymer chains	1
Total formula weight	18285.38
Authors	Hunter, W.N.,Ramsden, N.L. (deposition date: 2008-10-06, release date: 2009-08-25, Last modification date: 2023-11-01)
Primary citation	Ramsden, N.L.,Buetow, L.,Dawson, A.,Kemp, L.A.,Ulaganathan, V.,Brenk, R.,Klebe, G.,Hunter, W.N. A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52:2531-2542, 2009 Cited by PubMed: 19320487 DOI: 10.1021/jm801475n PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.7 Å)

Structure validation