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Structure paper

TitleMultiple solvent crystal structures: Probing binding sites, plasticity and hydration
Journal, issue, pagesJ. Mol. Biol., Vol. 357, Page 1471-1482, Year 2006
Publish dateJan 13, 2006 (structure data deposition date)
AuthorsMattos, C. / Bellamacina, C.R. / Peisach, E. / Pereira, A. / Vitkup, D. / Petsko, G.A. / Ringe, D.
External linksJ. Mol. Biol. / PubMed:16488429
MethodsX-ray diffraction
Resolution1.8 - 2.2 Å
Structure data

PDB-2fo9:
Structure of porcine pancreatic elastase in 95% acetone
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-2foa:
Structure of porcine pancreatic elastase in 40/50/10 % benzene
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-2fob:
Structure of porcine pancreatic elastase in 40/50/10 cyclohexane
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-2foc:
Structure of porcine pancreatic elastase in 55% dimethylformamide
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-2fod:
Structure of porcine pancreatic elastase in 80% ethanol
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-2foe:
Structure of porcine pancreatic elastase in 80% hexane
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-2fof:
Structure of porcine pancreatic elastase in 80% isopropanol
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-2fog:
Structure of porcine pancreatic elastase in 40% trifluoroethanol
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-2foh:
Structure of porcine pancreatic elastase in 40% trifluoroethanol
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-ACN:
ACETONE

ChemComp-HOH:
WATER

ChemComp-IPA:
ISOPROPYL ALCOHOL

ChemComp-DMF:
DIMETHYLFORMAMIDE

ChemComp-EOH:
ETHANOL

ChemComp-217:
(2S)-HEX-5-ENE-1,2-DIOL

ChemComp-ETF:
TRIFLUOROETHANOL

Source
  • sus scrofa (pig)
KeywordsHYDROLASE / elastase; solvent mapping; organic solvents; protein binding sites; multiple solvent crystal structures

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