Het-PDB Navi2 (PDB: 4KD7)

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Ligands
Code	Name	Link
NDP	Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate	PoSSuM
9DR	6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine	PoSSuM
SO4	Sulfate ion	PoSSuM

Non-standard Residues
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Download interaction data: 4KD7

Code :

4KD7 PDBj RCSB PDB PDBe

Header :

OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR

Title :

Human dihydrofolate reductase complexed with NADPH and 5-{3-[3-methoxy-5(pyridine-4-yl)phenyl]prop-1-yn-1-yl}-6-ethyl-pyrimidine-2,4-diamine

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)
	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+, hydride shift, cytosol, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

Exp. method :

X-RAY DIFFRACTION ( 2.715 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

Chain :

A, B

UniProt :

P00374 (DYR_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
(6S)-5,6,7,8-tetrahydrofolate + NADP(+) = 7,8-dihydrofolate + H(+) + NADPH	1.5.1.3	PROSITE- ProRule:PRU00660, PubMed:12096917, PubMed:15039552, PubMed:17569517, PubMed:19196009, PubMed:19478082, PubMed:21876184, PubMed:9719595
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PDB ID: 4KD7