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Structure paper

TitleStructures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design
Journal, issue, pagesJ. Mol. Biol., Vol. 352, Page 105-, Year 2005
Publish dateDec 6, 2004 (structure data deposition date)
AuthorsSchuettelkopf, A.W. / Hardy, L.W. / Beverley, S.M. / Hunter, W.N.
External linksJ. Mol. Biol. / PubMed:16055151
MethodsX-ray diffraction
Resolution2.4 - 2.7 Å
Structure data

PDB-2bf7:
Leishmania major pteridine reductase 1 in complex with NADP and biopterin
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-2bfa:
Leishmania major pteridine reductase 1 in complex with NADP and CB3717
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-2bfm:
Leishmania major pteridine reductase 1 in complex with NADP and trimethoprim
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-2bfo:
Leishmania major pteridine reductase 1 in complex with NADPH
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-2bfp:
Leishmania major pteridine reductase 1 in complex with NADP and tetrahydrobiopterin
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-HBI:
7,8-DIHYDROBIOPTERIN

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-CB3:
10-PROPARGYL-5,8-DIDEAZAFOLIC ACID

ChemComp-TOP:
TRIMETHOPRIM / antibiotic*YM

ChemComp-H4B:
5,6,7,8-TETRAHYDROBIOPTERIN / neurotransmitter*YM

Source
  • leishmania major (eukaryote)
KeywordsOXIDOREDUCTASE / PTERIDINE REDUCTASE / TRYPANOSOMATIDS / DRUG RESISTANCE / PTERIN / SALVAGE / SHORT-CHAIN DEHYDROGENASE/REDUCTASE / METHOTREXATE RESISTANCE / NADP / PTERIN SALVAGE

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