5JMP

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
Authors
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
X-RAY DIFFRACTION (1.7 Å)
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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