Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC57 and manganese

Summary for 5JMP

Descriptor1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, [(2R)-5-(3-fluorophenyl)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}pentyl]phosphonic acid, MANGANESE (II) ION, ... (7 entities in total)
Functional Keywordsenzyme-inhibitor complex, mep pathway, isoprenoid biosynthesis, oxidoreductase
Biological sourcePlasmodium falciparum 3D7
Cellular locationPlastid, apicoplast  Q8IKG4
Total number of polymer chains2
Total molecular weight98450.97
Sooriyaarachchi, S.,Bergfors, T.,Jones, T.A.,Mowbray, S.L. (deposition date: 2016-04-29, release date: 2016-08-24, Last modification date: 2016-09-28)
Primary citation
Sooriyaarachchi, S.,Chofor, R.,Risseeuw, M.D.,Bergfors, T.,Pouyez, J.,Dowd, C.S.,Maes, L.,Wouters, J.,Jones, T.A.,Van Calenbergh, S.,Mowbray, S.L.
Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11:2024-2036, 2016
PubMed: 27487410 (PDB entries with the same primary citation)
DOI: 10.1002/cmdc.201600249
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.213101.3%4.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-09-16