Brand  (β version)

PDB ID: 3UM5

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Ligands
Code Name Style Show Link
CP6 5-(4-chloro-phenyl)-6-ethyl-pyrimidine-2,4-diamine PoSSuM
NDP Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate PoSSuM
UMP 2'-deoxyuridine 5'-monophosphate PoSSuM
Non-standard Residues
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Structure summary

Code : 3UM5   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE, TRANSFERASE/INHIBITOR
Title : Double mutant (A16V+S108T) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-T9/94) complexed with pyrimethamine, NADPH, and dUMP
Release Data : 2012-07-18
Compound :
mol_id molecule chains synonym
1 Bifunctional dihydrofolate reductase-thymidylate synthase A,B DHFR-TS
ec: 1.5.1.3, 2.1.1.45
mutation: A16V, S108T
Source :
mol_id organism_scientific expression_system
1 Plasmodium falciparum  (taxid:5833) Escherichia coli  (taxid:562)
gene: dhfr-ts
expression_system_strain: BL21 (DE3)
expression_system_vector_type: Plasmid
expression_system_plasmid: pET17b
Authors : Vanichtanankul, J., Kamchonwongpaisan, S., Chitnumsub, P., Yuthavong, Y.
Keywords : MALARIAL DHFR-TS, PYRIMETHAMINE, ANTIFOLATE, NAPDH, DUMP, OXIDOREDUCTASE, TRANSFERASE-INHIBITOR COMPLEX
Exp. method : X-RAY DIFFRACTION ( 2.40 Å )
Citation :

Combined Spatial Limitation around Residues 16 and 108 of Plasmodium falciparum Dihydrofolate Reductase Explains Resistance to Cycloguanil.

Vanichtanankul, J.,Taweechai, S.,Uttamapinant, C.  et al.
(2012)  Antimicrob.Agents Chemother.  56 : 3928 - 3935

PubMed: 22526319
DOI: 10.1128/AAC.00301-12

Reaction

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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