7QSI
human Carbonic Anhydrase II in complex with indoline-1-sulfonamide
This is a non-PDB format compatible entry.
Summary for 7QSI
| Entry DOI | 10.2210/pdb7qsi/pdb |
| Descriptor | Carbonic anhydrase 2, ZINC ION, GLYCEROL, ... (5 entities in total) |
| Functional Keywords | carbonic anhydrase ii, inhibitor, metalloenzime, sulfonamide, lyase |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 1 |
| Total formula weight | 29644.81 |
| Authors | Angeli, A.,Ferraroni, M. (deposition date: 2022-01-13, release date: 2023-01-25, Last modification date: 2024-02-07) |
| Primary citation | Sharonova, T.,Zhmurov, P.,Kalinin, S.,Nocentini, A.,Angeli, A.,Ferraroni, M.,Korsakov, M.,Supuran, C.T.,Krasavin, M. Diversely substituted sulfamides for fragment-based drug discovery of carbonic anhydrase inhibitors: synthesis and inhibitory profile. J Enzyme Inhib Med Chem, 37:857-865, 2022 Cited by PubMed Abstract: A series of sulfamide fragments has been synthesised and investigated for human carbonic anhydrase inhibition. One of the fragments showing greater selectivity for cancer-related isoforms CA IX and XII was co-crystalized with CA II showing significant potential for fragment periphery evolution fragment growth and linking. These opportunities will be identified in the future the screening of this fragment structure for co-operative carbonic anhydrase binding with other structurally diverse fragments.[Figure: see text]. PubMed: 35296197DOI: 10.1080/14756366.2022.2051023 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.304 Å) |
Structure validation
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