Brand  (β version)

PDB ID: 3SGY

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Ligands
Code Name Style Show Link
NDP Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate PoSSuM
06W 6-ethyl-5-{(3s)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine PoSSuM
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Structure summary

Code : 3SGY   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Title : Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3S)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1006)
Release Data : 2012-03-07
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 Staphylococcus aureus  (taxid:1280) Escherichia coli  (taxid:469008)
gene: dfrA, dfrB, folA
expression_system_strain: BL21(DE3)
expression_system_vector_type: Plasmid
expression_system_plasmid: pET41
Authors : Frey, K.M., Anderson, A.C.
Keywords : oxidoreductase, NADP, NADPH, One-carbon metabolism, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.5980 Å )
Citation :

Toward New Therapeutics for Skin and Soft Tissue Infections: Propargyl-Linked Antifolates Are Potent Inhibitors of MRSA and Streptococcus pyogenes.

Viswanathan, K.,Frey, K.M.,Scocchera, E.W.  et al.
(2012)  Plos One  7 : e29434 - e29434

PubMed: 22347365
DOI: 10.1371/journal.pone.0029434

Reaction

Chain : A, B
UniProt : P0A017 (DYR_STAAU)
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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