4Q0L

Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor

Summary for 4Q0L

• Entry DOI: 10.2210/pdb4q0l/pdb
• Related: 4PYX 4PYY 4PZH 4Q06 4Q07 4Q08 4Q09
• Descriptor: Carbonic anhydrase 12, ZINC ION, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, ... (4 entities in total)
• Functional Keywords: drug design, carbonic anhydrase, benzenesulfonamide, metal-binding, lyase-lyase inhibitor comple, lyase-lyase inhibitor complex, lyase/lyase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Membrane; Single-pass type I membrane protein: O43570
• Total number of polymer chains: 4
• Total formula weight: 121708.86

Authors

Smirnov, A.,Manakova, E.,Grazulis, S. (deposition date: 2014-04-02, release date: 2015-01-28, Last modification date: 2023-09-20)

• Primary citation: Dudutiene, V.,Matuliene, J.,Smirnov, A.,Timm, D.D.,Zubriene, A.,Baranauskiene, L.,Morkunaite, V.,Smirnoviene, J.,Michailoviene, V.,Juozapaitiene, V.,Mickeviciute, A.,Kazokaite, J.,Baksyte, S.,Kasiliauskaite, A.,Jachno, J.,Revuckiene, J.,Kisonaite, M.,Pilipuityte, V.,Ivanauskaite, E.,Milinaviciute, G.,Smirnovas, V.,Petrikaite, V.,Kairys, V.,Petrauskas, V.,Norvaisas, P.,Linge, D.,Gibieza, P.,Capkauskaite, E.,Zaksauskas, A.,Kazlauskas, E.,Manakova, E.,Grazulis, S.,Ladbury, J.E.,Matulis, D.; Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.; J.Med.Chem., 57:9435-9446, 2014; PubMed: 25358084; DOI: 10.1021/jm501003k

Experimental method

X-RAY DIFFRACTION (2 Å)