3KE1

Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei in complex with a fragment-nucleoside fusion D000161829

Summary for 3KE1

Entry DOI	10.2210/pdb3ke1/pdb
Related	3ieq 3ike 3ikf 3jvh 3k14 3k2x
Descriptor	2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION, 5'-deoxy-5'-[(pyridin-4-ylcarbonyl)amino]cytidine, ... (5 entities in total)
Functional Keywords	niaid, ssgcid, seattle structural genomics center for infectious disease, fragment crystallography, fbdd, fragment-based drug-design, nucleoside analog, d000161829, isoprene biosynthesis, lyase, metal-binding
Biological source	Burkholderia pseudomallei (Pseudomonas pseudomallei)
Total number of polymer chains	3
Total formula weight	59738.63
Authors	Seattle Structural Genomics Center for Infectious Disease (SSGCID) (deposition date: 2009-10-23, release date: 2009-11-10, Last modification date: 2023-09-06)
Primary citation	Zhang, Z.,Jakkaraju, S.,Blain, J.,Gogol, K.,Zhao, L.,Hartley, R.C.,Karlsson, C.A.,Staker, B.L.,Edwards, T.E.,Stewart, L.J.,Myler, P.J.,Clare, M.,Begley, D.W.,Horn, J.R.,Hagen, T.J. Cytidine derivatives as IspF inhibitors of Burkolderia pseudomallei. Bioorg.Med.Chem.Lett., 8:e53851-e53851, 2013 Cited by PubMed: 24157367 DOI: 10.1016/j.bmcl.2013.09.101 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.05 Å)

Structure validation