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Structure paper

TitleFluorine teams up with water to restore inhibitor activity to mutant BPTI.
Journal, issue, pagesChem Sci, Vol. 6, Page 5246-5254, Year 2015
Publish dateFeb 6, 2015 (structure data deposition date)
AuthorsYe, S. / Loll, B. / Berger, A.A. / Mulow, U. / Alings, C. / Wahl, M.C. / Koksch, B.
External linksChem Sci / PubMed:29449928
MethodsX-ray diffraction
Resolution1.25 - 1.37 Å
Structure data

PDB-4y0y:
Trypsin in complex with with BPTI
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-4y0z:
Trypsin in complex with with BPTI mutant AMINOBUTYRIC ACID
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

PDB-4y10:
Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4-difluorobutanoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

PDB-4y11:
Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4,4-trifluorobutanoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

Source
  • bos taurus (domestic cattle)
KeywordsHYDROLASE\INHIBITOR / HYDROLASE INHIBITORS / METAL-BINDING / SERINE PROTEASE / HYDROLASE-INHIBITOR COMPLEX / HYDROLASE/HYDROLASE INHIBITOR COMPLEX / HYDROLASE-HYDROLASE INHIBITOR COMPLEX / HYDROLASE-HYDROLASE INHIBITOR COMPLEX complex / HYDROLASE/HYDROLASE INHIBITOR / DIGESTION / PROTEASE / SECRETED / ZYMOGEN

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