Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC176, and manganese

Summary for 4Y67

Descriptor1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid, MANGANESE (II) ION, ... (4 entities in total)
Functional Keywordsenzyme-inhibitor complex, mep pathway, isoprenoid biosynthesis, oxidoreductase
Biological sourcePlasmodium falciparum
Cellular locationPlastid, apicoplast  Q8IKG4
Total number of polymer chains2
Total molecular weight97069.43
Sooriyaarachchi, S.,Bergfors, T.,Jones, T.A.,Mowbray, S.L. (deposition date: 2015-02-12, release date: 2015-04-01, Last modification date: 2015-04-22)
Primary citation
Chofor, R.,Sooriyaarachchi, S.,Risseeuw, M.D.,Bergfors, T.,Pouyez, J.,Johny, C.,Haymond, A.,Everaert, A.,Dowd, C.S.,Maes, L.,Coenye, T.,Alex, A.,Couch, R.D.,Jones, T.A.,Wouters, J.,Mowbray, S.L.,Van Calenbergh, S.
Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58:2988-3001, 2015
PubMed: 25781377 (PDB entries with the same primary citation)
DOI: 10.1021/jm5014264
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.21570.1%4.5%5.4%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