6BC9

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

Summary for 6BC9

Entry DOI	10.2210/pdb6bc9/pdb
Related	6BBS
Descriptor	Carbonic anhydrase 2, ZINC ION, (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, ... (4 entities in total)
Functional Keywords	protonation state, drug binding, hydrogen bonding, 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	29678.91
Authors	Kovalevsky, A.,McKenna, R.,Aggarwal, M. (deposition date: 2017-10-20, release date: 2018-02-28, Last modification date: 2023-10-04)
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 (1.8 Å)

Structure validation