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Structure paper

TitleCombined use of computational chemistry, NMR screening, and X-ray crystallography for identification and characterization of fluorophilic protein environments.
Journal, issue, pagesProteins, Vol. 78, Page 3281-3291, Year 2010
Publish dateJun 18, 2010 (structure data deposition date)
AuthorsVulpetti, A. / Schiering, N. / Dalvit, C.
External linksProteins / PubMed:20886466
MethodsX-ray diffraction
Resolution1.12 - 1.15 Å
Structure data

PDB-3nk8:
Trypsin in complex with fluorine-containing fragment
Method: X-RAY DIFFRACTION / Resolution: 1.15 Å

PDB-3nkk:
Trypsin in complex with fluorine containing fragment
Method: X-RAY DIFFRACTION / Resolution: 1.12 Å

Chemicals

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-CA:
Unknown entry

ChemComp-JKZ:
4-(trifluoromethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one

ChemComp-HOH:
WATER

ChemComp-JLZ:
3-fluoro-4-methylbenzenecarboximidamide

Source
  • bos taurus (cattle)
KeywordsHYDROLASE / beta barrel / chymotrypsin double beta barrel / peptide hydrolase / Calcium binding / pancreas-duodenum / chymotrypsin

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