4Z1K

Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV)

Summary for 4Z1K

Related4Z1J 4Z1E 4Z0Q
DescriptorCarbonic anhydrase 2, ZINC ION, 4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]benzenesulfonamide, ... (4 entities in total)
Functional Keywordslyase, carbonate dehydratase ii, carbonic anhydrase c, carbonic anhydrase ii, ca-ii, carbonate dehydratase ii- inhibitor complex
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm  P00918
Total number of polymer chains1
Total molecular weight29346.42
Authors
Brynda, J.,Pospisilova, K.,Rezacova, P.,Pachl, P. (deposition date: 2015-03-27, release date: 2015-08-26)
Primary citation
Buemi, M.R.,De Luca, L.,Ferro, S.,Bruno, E.,Ceruso, M.,Supuran, C.T.,Pospisilova, K.,Brynda, J.,Rezacova, P.,Gitto, R.
Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102:223-232, 2015
PubMed: 26276436 (PDB entries with the same primary citation)
DOI: 10.1016/j.ejmech.2015.07.049
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.35 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.1723002.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution