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TitleCombined High-Resolution Neutron and X-ray Analysis of Inhibited Elastase Confirms the Active-Site Oxyanion Hole but Rules against a Low-Barrier Hydrogen Bond
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 131, Page 11033-11040, Year 2009
Publish dateMay 14, 2009 (structure data deposition date)
AuthorsTamada, T. / Kinoshita, T. / Kurihara, K. / Adachi, M. / Ohhara, T. / Imai, K. / Kuroki, R. / Tada, T.
External linksJ. Am. Chem. Soc. / PubMed:19603802
Methodsneutron diffraction / X-ray diffraction
Resolution0.94 - 1.65 Å
Structure data

PDB-3hgn:
Structure of porcine pancreatic elastase complexed with a potent peptidyl inhibitor FR130180 determined by neutron crystallography
Method: NEUTRON DIFFRACTION / X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-3hgp:
Structure of porcine pancreatic elastase complexed with a potent peptidyl inhibitor FR130180 determined by high resolution crystallography
Method: X-RAY DIFFRACTION / Resolution: 0.94 Å

Chemicals

ChemComp-FRW:
4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid

ChemComp-CA:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-DOD:
DEUTERATED WATER

ChemComp-HOH:
WATER

Source
  • sus scrofa (pig)
KeywordsHYDROLASE / Chymotrypsin Family / Serine Protease / Disulfide bond / Metal-binding / Protease / Secreted / Zymogen / Calcium

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