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Structure paper

TitleSelective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency.
Journal, issue, pagesChem. Commun. (Camb. ), Vol. 46, Page 8371-8373, Year 2010
Publish dateMay 12, 2010 (structure data deposition date)
AuthorsPacchiano, F. / Aggarwal, M. / Avvaru, B.S. / Robbins, A.H. / Scozzafava, A. / McKenna, R. / Supuran, C.T.
External linksChem. Commun. (Camb. ) / PubMed:20922253
MethodsX-ray diffraction
Resolution1.498 - 1.648 Å
Structure data

PDB-3mzc:
Human carbonic ahydrase II in complex with a benzenesulfonamide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.498 Å

PDB-3n0n:
Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-3n2p:
Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.648 Å

PDB-3n3j:
Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-3n4b:
Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-S6I:
4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide

ChemComp-GOL:
GLYCEROL / Glycerol

ChemComp-HOH:
WATER / Water

ChemComp-P9B:
4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide

ChemComp-AYX:
4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide

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

ChemComp-WWV:
4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide

ChemComp-WWZ:
4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide / German submarine U-104

Source
  • homo sapiens (human)
KeywordsLYASE/LYASE INHIBITOR / lyase / benzenesulfonamide inhibitor / zinc metalloenzyme / zinc coordination / LYASE-LYASE INHIBITOR complex / zinc metalloenzyme lyase / zinc ligands / benzenesulfonamide / inhibitor. / metalloenzyme / inhibitor / glycerol

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