4QSJ

Crystal structure of human carbonic anhydrase isozyme XIII with 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide

Summary for 4QSJ

• Entry DOI: 10.2210/pdb4qsj/pdb
• Related: 4QSA 4QSB 4QSI
• Descriptor: Carbonic anhydrase 13, ZINC ION, 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, ... (9 entities in total)
• Functional Keywords: drug design, carbonic anhydrase, benzenesulfonamide, metal-binding, lyase-lyase inhibitor complex, lyase/lyase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 60962.57

Authors

Smirnov, A.,Manakova, E.,Grazulis, S. (deposition date: 2014-07-04, release date: 2015-01-21, Last modification date: 2023-11-08)

• Primary citation: Kisonaite, M.,Zubriene, A.,Capkauskaite, E.,Smirnov, A.,Smirnoviene, J.,Kairys, V.,Michailoviene, V.,Manakova, E.,Grazulis, S.,Matulis, D.; Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII; Plos One, 9:e114106-e114106, 2014; PubMed: 25493428; DOI: 10.1371/journal.pone.0114106

Experimental method

X-RAY DIFFRACTION (1.7 Å)