Brand  (β version)

PDB ID: 4FGG

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Ligands
Code Name Style Show Link
0U5 (2e)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-yl]prop-2-en-1-one PoSSuM
GOL Glycerol PoSSuM
NAP Nadp nicotinamide-adenine-dinucleotide phosphate PoSSuM
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Structure summary

Code : 4FGG   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE/INHIBITOR
Title : S. aureus dihydrofolate reductase co-crystallized with propyl-DAP isobutenyl-dihydrophthalazine inhibitor
Release Data : 2013-01-09
Compound :
mol_id molecule chains synonym
1 Dihydrofolate reductase A DHFR
ec: 1.5.1.3
Source :
mol_id organism_scientific expression_system
1 Staphylococcus aureus  (taxid:1280) Escherichia coli  (taxid:469008)
gene: DHFR, folA
expression_system_strain: BL21(DE3)pLysS
expression_system_plasmid: pET-101D
Authors : Bourne, C.R., Barrow, W.W.
Keywords : dihydrofolate reductase, OXIDOREDUCTASE-INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.300 Å )
Citation :

Inhibition of Bacterial Dihydrofolate Reductase by 6-Alkyl-2,4-diaminopyrimidines.

Nammalwar, B.,Bourne, C.R.,Bunce, R.A.  et al.
(2012)  Chemmedchem  7 : 1974 - 1982

PubMed: 22930550
DOI: 10.1002/cmdc.201200291

Reaction

Chain : A
UniProt : P0A017 (DYR_STAAU)
Reaction: EC: Evidence:
Physiological Direction:
(6S)-5,6,7,8-tetrahydrofolate + NADP(+) = 7,8-dihydrofolate + NADPH + H(+) 1.5.1.3 PROSITE-ProRule:PRU00660
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