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Structure paper

TitleFluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 133, Page 14017-14026, Year 2011
Publish dateMay 11, 2011 (structure data deposition date)
AuthorsMecinovic, J. / Snyder, P.W. / Mirica, K.A. / Bai, S. / Mack, E.T. / Kwant, R.L. / Moustakas, D.T. / Heroux, A. / Whitesides, G.M.
External linksJ. Am. Chem. Soc. / PubMed:21790183
MethodsX-ray diffraction
Resolution1.16 - 1.8 Å
Structure data

PDB-3ryj:
Carbonic Anhydrase complexed with 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
Method: X-RAY DIFFRACTION / Resolution: 1.39 Å

PDB-3ryv:
Carbonic Anhydrase complexed with N-ethyl-4-sulfamoylbenzamide
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-3ryx:
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-3ryy:
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
Method: X-RAY DIFFRACTION / Resolution: 1.16 Å

PDB-3ryz:
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

PDB-3rz0:
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
Method: X-RAY DIFFRACTION / Resolution: 1.798 Å

PDB-3rz1:
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
Method: X-RAY DIFFRACTION / Resolution: 1.51 Å

PDB-3rz5:
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-3rz7:
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3rz8:
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-RYJ:
4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide

ChemComp-HOH:
WATER / Water

ChemComp-RYV:
N-ethyl-4-sulfamoylbenzamide

ChemComp-RYX:
N-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide

ChemComp-RYY:
N-propyl-4-sulfamoylbenzamide

ChemComp-RYZ:
N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide

ChemComp-RZ0:
N-butyl-4-sulfamoylbenzamide

ChemComp-RZ1:
N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide

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

ChemComp-RZ5:
N-pentyl-4-sulfamoylbenzamide

ChemComp-RZ7:
4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide

ChemComp-RZ8:
N-hexyl-4-sulfamoylbenzamide

Source
  • homo sapiens (human)
KeywordsLYASE / alpha beta

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