4Y6S

Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC134, and manganese

Summary for 4Y6S

Related4Y67 4Y6P 4Y6R
Descriptor1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, [(2R)-4-[hydroxy(methyl)amino]-2-(4-methylphenyl)-4-oxobutyl]phosphonic acid, ... (4 entities in total)
Functional Keywordsenzyme-inhibitor complex, mep pathway, isoprenoid biosynthesis, oxidoreductase
Biological sourcePlasmodium falciparum (isolate 3D7)
Cellular locationPlastid, apicoplast  Q8IKG4
Total number of polymer chains2
Total molecular weight97013.33
Authors
Sooriyaarachchi, S.,Bergfors, T.,Jones, T.A.,Mowbray, S.L. (deposition date: 2015-02-13, 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
X-RAY DIFFRACTION (2.1 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.25380.2%3.6%4.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report