6YH6

Crystal structure of chimeric carbonic anhydrase XII with 2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide

Summary for 6YH6

Entry DOI	10.2210/pdb6yh6/pdb
Descriptor	Carbonic anhydrase 2, ZINC ION, DIMETHYL SULFOXIDE, ... (5 entities in total)
Functional Keywords	drug design, carbonic anhydrase, benzenesulfonamide, metal-binding, lyase-lyase inhibitor complex, lyase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	29700.79
Authors	Smirnov, A.,Manakova, E.,Grazulis, S. (deposition date: 2020-03-28, release date: 2021-04-07, Last modification date: 2024-01-24)
Primary citation	Smirnoviene, J.,Smirnov, A.,Zaksauskas, A.,Zubriene, A.,Petrauskas, V.,Mickeviciute, A.,Michailoviene, V.,Capkauskaite, E.,Manakova, E.,Grazulis, S.,Baranauskiene, L.,Chen, W.Y.,Ladbury, J.E.,Matulis, D. Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII. Chemistryopen, 10:567-580, 2021 Cited by PubMed: 33945229 DOI: 10.1002/open.202100042 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.4 Å)

Structure validation