Brand  (β version)

PDB ID: 3ROA

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

Code : 3ROA   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Title : Candida glabrata dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1004)
Release Data : 2012-05-09
Compound :
mol_id molecule chains
1 Strain CBS138 chromosome J complete sequence A,B
Source :
mol_id organism_scientific organism_common expression_system
1 Candida glabrata  (taxid:5478) Yeast Escherichia coli  (taxid:469008)
gene: CAGL0J03894g, DHFR
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET41
Authors : Paulsen, J.L., Anderson, A.C.
Keywords : Antifungal Agents, Candida glabrata, Drug Design, Enzyme Inhibitors, Fungal Proteins, Models, Molecular Structure, Structure-Activity Relationship, Tetrahydrofolate Dehydrogenase, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.3010 Å )
Citation :

Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species.

Paulsen, J.L.,Viswanathan, K.,Wright, D.L.  et al.
(2013)  Bioorg.Med.Chem.Lett.  23 : 1279 - 1284

PubMed: 23375226
DOI: 10.1016/j.bmcl.2013.01.008

Reaction

Chain : A, B
UniProt : Q6FPH0 (Q6FPH0_CANGA)
Reaction : -