6YH9
Crystal structure of chimeric carbonic anhydrase XII with 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Summary for 6YH9
Entry DOI | 10.2210/pdb6yh9/pdb |
Descriptor | Carbonic anhydrase 2, ZINC ION, 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, ... (4 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 | 29816.83 |
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: 33945229DOI: 10.1002/open.202100042 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.55 Å) |
Structure validation
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