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Structure paper

TitlePromiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 133, Page 18452-18462, Year 2011
Publish dateAug 1, 2011 (structure data deposition date)
AuthorsLopez, M. / Vu, H. / Wang, C.K. / Wolf, M.G. / Groenhof, G. / Innocenti, A. / Supuran, C.T. / Poulsen, S.A.
External linksJ. Am. Chem. Soc. / PubMed:21958118
MethodsX-ray diffraction
Resolution1.8 - 2.4 Å
Structure data

PDB-3t82:
Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates
Method: X-RAY DIFFRACTION / Resolution: 2.002 Å

PDB-3t83:
Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3t84:
Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3t85:
Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-SG4:
3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-glucopyranose

ChemComp-HOH:
WATER

ChemComp-SG5:
2,3,4-tri-O-propanoyl-6-O-sulfamoyl-alpha-D-glucopyranose

ChemComp-MG5:
2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose

ChemComp-SG6:
4-O-acetyl-6-O-sulfamoyl-alpha-D-galactopyranose

ChemComp-SG7:
3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-mannopyranose

Source
  • homo sapiens (human)
KeywordsLYASE/LYASE INHIBITOR / alpha carbonic anhydrase / LYASE-LYASE INHIBITOR complex

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