5E2M

Crystal structure of human carbonic anhydrase isozyme I with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide

Summary for 5E2M

Entry DOI	10.2210/pdb5e2m/pdb
Related	5DOG 5DOH 5DRS
Descriptor	Carbonic anhydrase 1, ZINC ION, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, ... (6 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	2
Total formula weight	58961.29
Authors	Manakova, E.,Smirnov, A.,Grazulis, S. (deposition date: 2015-10-01, release date: 2016-10-05, Last modification date: 2024-01-10)
Primary citation	Zubriene, A.,Smirnov, A.,Dudutiene, V.,Timm, D.D.,Matuliene, J.,Michailoviene, V.,Zaksauskas, A.,Manakova, E.,Grazulis, S.,Matulis, D. Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases. ChemMedChem, 12:161-176, 2017 Cited by PubMed: 28001003 DOI: 10.1002/cmdc.201600509 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.41 Å)

Structure validation