Brand  (β version)

PDB ID: 4OSG

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Ligands
Code Name Style Show Link
NAP Nadp nicotinamide-adenine-dinucleotide phosphate PoSSuM
06U 6-ethyl-5-{(3r)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine PoSSuM
EOH Ethanol PoSSuM
Non-standard Residues
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Structure summary

Code : 4OSG   PDBj   RCSB PDB   PDBe
Header : Oxidoreductase/Oxidoreductase inhibitor
Title : Klebsiella pneumoniae complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxyl-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006)
Release Data : 2014-12-03
Compound :
mol_id molecule chains
1 Dihydrofolate reductase A,B,C,D
ec: 1.5.1.3
Source :
mol_id organism_scientific expression_system
1 Klebsiella pneumoniae CG43  (taxid:1244085) Escherichia coli  (taxid:562)
gene: folA, D364_00170
Authors : Lamb, K.M., Anderson, A.C.
Keywords : Oxidoreductase, hydride shift, Oxidoreductase-Oxidoreductase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.700 Å )
Citation :

Crystal Structures of Klebsiella pneumoniae Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal Features for Potency and Selectivity.

Lamb, K.M.,Lombardo, M.N.,Alverson, J.  et al.
(2014)  Antimicrob.Agents Chemother.  58 : 7484 - 7491

PubMed: 25288083
DOI: 10.1128/AAC.03555-14

Reaction

Chain : A, B, C, D
UniProt : U5M636
Reaction : -