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Ligands
Code Name Style Show Link
9QO 5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
NAP Nadp nicotinamide-adenine-dinucleotide phosphate
UMP 2'-deoxyuridine 5'-monophosphate
Non-standard Residues
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Glycosylation
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Code : 6A2K   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT1, NADPH, and dUMP
Release Data : 2019-04-24
Compound :
mol_id molecule chains
1 Bifunctional dihydrofolate reductase-thymidylate synthase A,B
Source :
mol_id organism_scientific organism_common expression_system
1 Plasmodium falciparum  (taxid:5833) Malaria parasite P. falciparum Escherichia coli BL21(DE3)  (taxid:469008)
gene: DHFR-TS, dhfr-ts
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET17b
Authors : Chitnumsub, P., Jaruwat, A., Tarnchampoo, B., Yuthavong, Y.
Keywords : Rossmann fold, Dual-binding Inhibitor, OXIDOREDUCTASE
Exp. method : X-RAY DIFFRACTION ( 2.3800 Å )
Citation :

Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance.

Tarnchompoo, B.,Chitnumsub, P.,Jaruwat, A.  et al.
(2018)  ACS Med Chem Lett  9 : 1235 - 1240

PubMed: 30613332
DOI: 10.1021/acsmedchemlett.8b00389

Chain : A, B
UniProt : A7UD81 (A7UD81_PLAFA)
Reaction: EC: Evidence:
Physiological Direction:
(6R)-5,10-methylene-5,6,7,8-tetrahydrofolate + dUMP = 7,8- dihydrofolate + dTMP 2.1.1.45 ARBA:ARBA00001707
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(6S)-5,6,7,8-tetrahydrofolate + NADP(+) = 7,8-dihydrofolate + H(+) + NADPH 1.5.1.3 ARBA:ARBA00001315
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