4E3H
Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Summary for 4E3H
| Entry DOI | 10.2210/pdb4e3h/pdb |
| Related | 4E3D 4E3F 4E3G 4E49 4E4A |
| Descriptor | Carbonic anhydrase 2, ZINC ION, MERCURIBENZOIC ACID, ... (5 entities in total) |
| Functional Keywords | carbonate dehydratase, inhibitor, 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 | 29786.29 |
| Authors | Cohen, S.M.,Martin, D.P. (deposition date: 2012-03-09, release date: 2012-06-27, Last modification date: 2023-11-08) |
| Primary citation | Martin, D.P.,Cohen, S.M. Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors Chem.Commun.(Camb.), 48:5259-5261, 2012 Cited by PubMed Abstract: A series of hydroxybenzoic acid derivatives have shown inhibitory activity against carbonic anhydrase (CA). X-ray crystallography shows that these molecules inhibit not by binding the active site metal ion but by strong hydrogen bonding to the metal-bound water nucleophile. The binding mode observed for these molecules is distinct when compared to other non-metal-binding CA inhibitors. PubMed: 22531842DOI: 10.1039/c2cc32013d PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.5 Å) |
Structure validation
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