6BBS

Joint X-ray/neutron structure of human carbonic anhydrase II in complex with brinzolamide

Summary for 6BBS

Entry DOI	10.2210/pdb6bbs/pdb
Descriptor	Carbonic anhydrase 2, ZINC ION, (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, ... (4 entities in total)
Functional Keywords	drug binding, protonation state, lyase, lyase-lyase inhibitor complex, lyase/lyase inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm : P00918
Total number of polymer chains	1
Total formula weight	29737.98
Authors	Kovalevsky, A.,Aggarwal, M.,McKenna, R. (deposition date: 2017-10-19, release date: 2018-02-28, Last modification date: 2024-03-13)
Primary citation	Kovalevsky, A.,Aggarwal, M.,Velazquez, H.,Cuneo, M.J.,Blakeley, M.P.,Weiss, K.L.,Smith, J.C.,Fisher, S.Z.,McKenna, R. "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26:383-390.e3, 2018 Cited by PubMed: 29429876 DOI: 10.1016/j.str.2018.01.006 PDB entries with the same primary citation
Experimental method	NEUTRON DIFFRACTION X-RAY DIFFRACTION (2 Å)

Structure validation