Brand  (β version)

PDB ID: 4GAE

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Ligands
Code Name Style Show Link
ACT Acetate ion PoSSuM
CL Chloride ion PoSSuM
EDO 1,2-ethanediol PoSSuM
FOB [(1r)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid PoSSuM
FOQ [(1s)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid PoSSuM
MN Manganese (II) ion PoSSuM
NDP Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate PoSSuM
Non-standard Residues
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Structure summary

Code : 4GAE   PDBj   RCSB PDB   PDBe
Header : ISOMERASE/ISOMERASE INHIBITOR
Title : Crystal structure of plasmodium dxr in complex with a pyridine-containing inhibitor
Release Data : 2013-02-06
Compound :
mol_id molecule chains synonym
1 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast A,B 1-deoxyxylulose-5-phosphate reductoisomerase, DOXP reductoisomerase, DXP reductoisomerase
ec: 1.1.1.267
mutation: L247I
Source :
mol_id organism_scientific expression_system
1 Plasmodium falciparum  (taxid:137071) Escherichia coli  (taxid:562)
gene: DXR
expression_system_vector_type: plasmid
expression_system_plasmid: pQE30
Authors : Diao, J., Xue, J., Cai, G., Deng, L., Song, Y.
Keywords : NADPH BINDING, ISOMERASE-ISOMERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.30 Å )
Citation :

Antimalarial and Structural Studies of Pyridine-containing Inhibitors of 1-Deoxyxylulose-5-phosphate Reductoisomerase.

Xue, J.,Diao, J.,Cai, G.  et al.
(2013)  ACS Med Chem Lett  4 : 278 - 282

PubMed: 23795240
DOI: 10.1021/ml300419r

Reaction

Chain : A, B
UniProt : O96693 (DXR_PLAFX)
Reaction: EC: Evidence:
Physiological Direction:
2-C-methyl-D-erythritol 4-phosphate + NADP(+) = 1-deoxy-D- xylulose 5-phosphate + NADPH + H(+) 1.1.1.267 PubMed:10477522
right-to-left
Cofactor: Evidence: Note:
Mn(2+) ECO:0000269 | PubMed:22355528
ECO:0000269 | PubMed:22355528
Binds 1 divalent cation per subunit. Mg(2+) or Mn(2+).