5N0E

Crystal structure of human carbonic anhydrase II in complex with (S)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide.

Summary for 5N0E

Entry DOI	10.2210/pdb5n0e/pdb
Descriptor	Carbonic anhydrase 2, ZINC ION, 4-[[(1~{S})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide, ... (4 entities in total)
Functional Keywords	human carbonic anhydrase, benzesulfonamide, protein-inhibitor adduct, lyase
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm : P00918
Total number of polymer chains	1
Total formula weight	29967.19
Authors	Di Fiore, A.,De Simone, G. (deposition date: 2017-02-02, release date: 2017-05-10, Last modification date: 2024-01-17)
Primary citation	Bruno, E.,Buemi, M.R.,Di Fiore, A.,De Luca, L.,Ferro, S.,Angeli, A.,Cirilli, R.,Sadutto, D.,Alterio, V.,Monti, S.M.,Supuran, C.T.,De Simone, G.,Gitto, R. Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides. J. Med. Chem., 60:4316-4326, 2017 Cited by PubMed: 28453941 DOI: 10.1021/acs.jmedchem.7b00264 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.75 Å)

Structure validation