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Structure paper

TitleFluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin.
Journal, issue, pagesRsc Chem Biol, Vol. 3, Page 773-782, Year 2022
Publish dateDec 15, 2021 (structure data deposition date)
AuthorsLeppkes, J. / Dimos, N. / Loll, B. / Hohmann, T. / Dyrks, M. / Wieseke, A. / Keller, B.G. / Koksch, B.
External linksRsc Chem Biol / PubMed:35755190
MethodsX-ray diffraction
Resolution1.83 - 1.99 Å
Structure data

PDB-7qiq:
CRYSTAL STRUCTURE OF THE P1 aminobutanoic acid (ABU) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-7qir:
CRYSTAL STRUCTURE OF THE P1 monofluorethylglycine(MfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7qis:
CRYSTAL STRUCTURE OF THE P1 difluoroethylglycine (DfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

PDB-7qit:
CRYSTAL STRUCTURE OF THE P1 trifluoroethylglycine (TfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • bos taurus (domestic cattle)
KeywordsHYDROLASE / CHYMOTRYPSIN / SERINE PROTEINASE / BOVINE PANCREATIC TRYPSIN INHIBITOR / BPTI / PROTEIN-PROTEIN INTERACTION / S1 POCKET / PRIMARY SPECIFICITY / HYDROLASE-HYDROLASE INHIBITOR COMPLEX

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