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Structure paper

TitleS-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
Journal, issue, pagesJ. Med. Chem., Vol. 52, Page 6421-6432, Year 2009
Publish dateMay 25, 2009 (structure data deposition date)
AuthorsLopez, M. / Paul, B. / Hofmann, A. / Morizzi, J. / Wu, Q.K. / Charman, S.A. / Innocenti, A. / Vullo, D. / Supuran, C.T. / Poulsen, S.A.
External linksJ. Med. Chem. / PubMed:19827837
MethodsX-ray diffraction
Resolution1.7 - 2.36 Å
Structure data

PDB-3hkn:
Human carbonic anhydrase II in complex with (2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl) -(1-4)-1,2,3,6-tetra-O-acetyl-1-thio-beta-D-glucopyranosylsulfonamide
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3hkq:
Human carbonic anhydrase II in complex with 1-S-D-Galactopyranosylsulfonamide
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-3hkt:
Human carbonic anhydrase II in complex with alpha-D-Glucopyranosyl-(1->4)-1-thio-beta-D-glucopyranosylsulfonamide
Method: X-RAY DIFFRACTION / Resolution: 2.36 Å

PDB-3hku:
Human carbonic anhydrase II in complex with topiramate
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-1SD:
(1S)-1,5-anhydro-1-sulfamoyl-D-galactitol

ChemComp-TOR:
[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate / medication*YM

Source
  • homo sapiens (human)
KeywordsLYASE / Carbonic anhydrase drug design / Disease mutation / Metal-binding / Acetylation / Cytoplasm / Polymorphism / Zinc

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