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TitleNon-Boltzmann thermodynamic integration (NBTI) for macromolecular systems: relative free energy of binding of trypsin to benzamidine and benzylamine.
Journal, issue, pagesProteins, Vol. 37, Page 641-653, Year 1999
Publish dateMar 16, 1999 (structure data deposition date)
AuthorsOta, N. / Stroupe, C. / Ferreira-da-Silva, J.M. / Shah, S.A. / Mares-Guia, M. / Brunger, A.T.
External linksProteins / PubMed:10651279
MethodsX-ray diffraction
Resolution1.9 Å
Structure data

PDB-1ce5:
BOVINE PANCREAS BETA-TRYPSIN IN COMPLEX WITH BENZAMIDINE
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-2bza:
BOVINE PANCREAS BETA-TRYPSIN IN COMPLEX WITH BENZYLAMINE
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-BEN:
BENZAMIDINE

ChemComp-HOH:
WATER

ChemComp-ABN:
BENZYLAMINE

Source
  • bos taurus (domestic cattle)
KeywordsHYDROLASE / HYDROLASE (SERINE PROTEINASE)

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