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Structure paper

TitlePeripheral but crucial: a hydrophobic pocket (Tyr(706), Leu(337), and Met(336)) for potent and selective inhibition of neuronal nitric oxide synthase.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 6258-6261, Year 2010
Publish dateJun 24, 2010 (structure data deposition date)
AuthorsXue, F. / Li, H. / Fang, J. / Roman, L.J. / Martasek, P. / Poulos, T.L. / Silverman, R.B.
External linksBioorg. Med. Chem. Lett. / PubMed:20833542
MethodsX-ray diffraction
Resolution1.97 - 2.1 Å
Structure data

PDB-3nny:
Structure of rat neuronal nitric oxide synthase heme domain complexed with 6-(((3R,4R)-4-(2-(3-Fluorophenethylamino)ethoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3nnz:
Structure of rat neuronal nitric oxide synthase heme domain complexed with 6-(((3S,4S)-4-(2-(3-Fluorophenethylamino)ethoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

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

ChemComp-59R:
6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine

ChemComp-ACT:
ACETATE ION

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-59W:
6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine

Source
  • rattus norvegicus (Norway rat)
KeywordsOXIDOREDUCTASE / nitric oxide synthase / heme enzyme / inhibitor

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