6SWM
selenol bound carbonic anhydrase I
Summary for 6SWM
| Entry DOI | 10.2210/pdb6swm/pdb |
| Descriptor | Carbonic anhydrase 1, ZINC ION, (2~{R})-1-prop-2-enoxy-3-selanyl-propan-2-ol, ... (4 entities in total) |
| Functional Keywords | carbonic anhydrase, inhibitor, selenol, lyase |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 2 |
| Total formula weight | 58333.43 |
| Authors | Angeli, A.,Ferraroni, M. (deposition date: 2019-09-22, release date: 2020-10-07, Last modification date: 2024-01-24) |
| Primary citation | Angeli, A.,Tanini, D.,Nocentini, A.,Capperucci, A.,Ferraroni, M.,Gratteri, P.,Supuran, C.T. Selenols: a new class of carbonic anhydrase inhibitors. Chem.Commun.(Camb.), 55:648-651, 2019 Cited by PubMed Abstract: Stable aryl selenols were obtained through a convenient procedure. Selenols represent a new chemotype acting as carbonic anhydrase inhibitors (CAIs), inhibiting four human isoforms, CAs I, II, VII and the tumor-associated CA IX. X-ray crystallographic, physical and computational studies provided insights into the binding mode of this conceptually new class of CAIs. PubMed: 30560259DOI: 10.1039/c8cc08562e PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.77 Å) |
Structure validation
Download full validation report
