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

Summary for 3HKN

DescriptorCarbonic anhydrase 2, ZINC ION, (1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-4-O-(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyl)-D-glucitol, ... (5 entities in total)
Functional Keywordscarbonic anhydrase drug design, disease mutation, lyase, metal-binding
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm P00918
Total number of polymer chains1
Total molecular weight30238.29
Authors
Paul, B.,Poulsen, S.-A.,Hofmann, A. (deposition date: 2009-05-25, release date: 2009-10-13, Last modification date: 2011-07-13)
Primary citation
Lopez, M.,Paul, B.,Hofmann, A.,Morizzi, J.,Wu, Q.K.,Charman, S.A.,Innocenti, A.,Vullo, D.,Supuran, C.T.,Poulsen, S.A.
S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52:6421-6432, 2009
PubMed: 19827837 (PDB entries with the same primary citation)
DOI: 10.1021/jm900914e
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.8 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.1982400.5%2.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution