3M2N

Crystal structure of human carbonic anhydrase isozyme II with 4-{2-[N-(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide

Summary for 3M2N

Related3M3X 3M40 3M5E 3MHI 3MHL 3MHM 3MHO
DescriptorCarbonic anhydrase 2, 4-{2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide, ZINC ION, ... (6 entities in total)
Functional Keywordsdrug design, carbonic anhydrase, sulfonamide, lyase, metal-binding, lyase-lyase inhibitor complex, lyase/lyase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm  P00918
Total number of polymer chains1
Total molecular weight30031.68
Authors
Grazulis, S.,Manakova, E.,Golovenko, D. (deposition date: 2010-03-08, release date: 2011-02-16, Last modification date: 2017-11-08)
Primary citation
Capkauskaite, E.,Zubriene, A.,Baranauskiene, L.,Tamulaitiene, G.,Manakova, E.,Kairys, V.,Grazulis, S.,Tumkevicius, S.,Matulis, D.
Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51:259-270, 2012
PubMed: 22440859 (PDB entries with the same primary citation)
DOI: 10.1016/j.ejmech.2012.02.050
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.65 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.202900.4%1.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution