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Structure paper

TitleStructure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water.
Journal, issue, pagesJ. Med. Chem., Vol. 50, Page 2089-2099, Year 2007
Publish dateAug 2, 2006 (structure data deposition date)
AuthorsSeo, J. / Igarashi, J. / Li, H. / Martasek, P. / Roman, L.J. / Poulos, T.L. / Silverman, R.B.
External linksJ. Med. Chem. / PubMed:17425297
MethodsX-ray diffraction
Resolution1.95 - 2.15 Å
Structure data

PDB-2hx2:
Bovine eNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pentyl}-N'-nitroguanidine
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-2hx3:
Rat nNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pentyl}-N'-nitroguanidine
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-2hx4:
Rat nNOS heme domain complexed with 4-N-(Nw-nitro-L-argininyl)-trans-4-hydroxyamino-L-proline amide
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

Chemicals

ChemComp-CAC:
CACODYLATE ION

ChemComp-ACT:
ACETATE ION

ChemComp-ZN:
Unknown entry

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

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

ChemComp-3HX:
(4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-4HX:
(4R)-4-(HYDROXY{N~5~-[IMINO(NITROAMINO)METHYL]-L-ORNITHYL}AMINO)-L-PROLINAMIDE

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

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