Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain:

Ligands
Code Name Link
9QR 5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
NDP Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
Code : 6A7E
Header : OXIDOREDUCTASE
Title : Human dihydrofolate reductase complexed with NADPH and BT2
Release Data : 2019-04-10
Compound :
mol_id molecule chains
1 Dihydrofolate reductase A
ec: 1.5.1.3
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli BL21(DE3)  (taxid:469008)
gene: DHFR
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET17b
Authors : Vanichtanankul, J., Tarnchompoo, B., Chitnumsub, P., Kamchonwongpaisan, S., Yuthavong, Y.
Keywords : DHFR, antifolate, inhibitor, OXIDOREDUCTASE
Exp. method : X-RAY DIFFRACTION ( 1.8500 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
UniProt : P00374 (DYR_HUMAN)
Reaction : 5,6,7,8-tetrahydrofolate + NADP(+) = 7,8- dihydrofolate + NADPH.