6H3Q

Crystal structure of human carbonic anhydrase II in complex with the 4-(5-(chloromethyl)-1,3-selenazol-2-yl)benzenesulfonamide

Summary for 6H3Q

DescriptorCarbonic anhydrase 2, ZINC ION, 4-[5-(chloromethyl)-1,3-selenazol-2-yl]benzenesulfonamide, ... (4 entities in total)
Functional Keywordslyase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight29690.14
Authors
Ferraroni, M.,Angeli, A.,Supuran, C. (deposition date: 2018-07-19, release date: 2019-07-17)
Primary citation
Angeli, A.,Trallori, E.,Ferraroni, M.,Di Cesare Mannelli, L.,Ghelardini, C.,Supuran, C.T.
Discovery of new 2, 5-disubstituted 1,3-selenazoles as selective human carbonic anhydrase IX inhibitors with potent anti-tumor activity.
Eur.J.Med.Chem., 157:1214-1222, 2018
PubMed: 30193219 (PDB entries with the same primary citation)
DOI: 10.1016/j.ejmech.2018.08.096
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.31 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.21050 0.9% 2.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution