Brand  (β version)

PDB ID: 1AOE

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Ligands
Code Name Style Show Link
NDP Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate PoSSuM
GW3 7-(1-ethyl-propyl)-7h-pyrrolo-[3,2-f]quinazoline-1,3-diamine PoSSuM
Non-standard Residues
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Structure summary

Code : 1AOE   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QUINAZOLINE (GW345)
Release Data : 1998-01-07
Compound :
mol_id molecule chains synonym
1 DIHYDROFOLATE REDUCTASE A,B DHFR
ec: 1.5.1.3
Source :
mol_id organism_scientific expression_system
1 Candida albicans  (taxid:5476) Escherichia coli BL21(DE3)  (taxid:469008)
cell_line: BL21
expression_system_strain: BL21 (DE3)
expression_system_cellular_location: CYTOPLASM
expression_system_vector_type: PLASMID
expression_system_plasmid: BL21
Authors : Whitlow, M., Howard, A.J., Stewart, D.
Keywords : OXIDOREDUCTASE, ANTIFUNGAL TARGET, REDUCTASE
Exp. method : X-RAY DIFFRACTION ( 1.60 Å )
Citation :

X-ray crystallographic studies of Candida albicans dihydrofolate reductase. High resolution structures of the holoenzyme and an inhibited ternary complex.

Whitlow, M.,Howard, A.J.,Stewart, D.  et al.
(1997)  J.Biol.Chem.  272 : 30289 - 30298

PubMed: 9374515
DOI: 10.1074/jbc.272.48.30289

High-Affinity Inhibitors of Dihydrofolate Reductase: Antimicrobial and Anticancer Activities of 7,8-Dialkyl-1,3-Diaminopyrrolo[3,2-F]Quinazolines with Small Molecular Size

Kuyper, L.F.,Baccanari, D.P.,Jones, M.L.  et al.
(1996)  J.Med.Chem.  39 : 892

Characterization of Candida Albicans Dihydrofolate Reductase

Baccanari, D.P.,Tansik, R.L.,Joyner, S.S.  et al.
(1989)  J.Biol.Chem.  264 : 1100

Reaction

Chain : A, B
UniProt : P22906 (DYR_CANAX)
Reaction: EC: Evidence:
Physiological Direction:
(6S)-5,6,7,8-tetrahydrofolate + NADP(+) = 7,8-dihydrofolate + H(+) + NADPH 1.5.1.3 PROSITE- ProRule:PRU00660
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