Brand  (β version)

color scheme of protein:

hetatm:

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information
centroid:
interaction residue:

chain: Hide other chain(s)

Ligands
Code Name Link
CA Calcium ion
06U 6-ethyl-5-{(3r)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
EOH Ethanol
NDP Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
Code : 4KAK
Header : Oxidoreductase/oxidoreductase inhibitor
Title : Crystal structure of human dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3S)-3-[3-methoxy-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006)
Release Data : 2013-10-09
Compound :
mol_id molecule chains
1 Dihydrofolate reductase A,B
ec: 1.5.1.3
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
strain: RP11-399L5
gene: DHFR, huDHFR
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET41a(+)
Authors : Lamb, K.M., Anderson, A.C.
Keywords : Oxidoreductase, 5, 6, 7, 8-tetrahydrofolate; NADP+; 7, 8-dihydrofolate, Hydride shift, Oxidoreductase-oxidoreductase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.80 Å )
Citation :

Elucidating features that drive the design of selective antifolates using crystal structures of human dihydrofolate reductase.

Lamb, K.M.,G-Dayanandan, N.,Wright, D.L.  et al.
(2013)  Biochemistry  52 : 7318 - 7326

PubMed: 24053334
DOI: 10.1021/bi400852h

Chain : A, B
UniProt : P00374 (DYR_HUMAN)
Reaction : 5,6,7,8-tetrahydrofolate + NADP(+) = 7,8- dihydrofolate + NADPH.