6EX1
Crystal structure of human carbonic anhydrase I in complex with the 4-[(3S)-3 benzyl-4-(4-sulfamoylbenzoyl)piperazine -1-carbonyl]benzene-1-sulfonamide inhibitor
Summary for 6EX1
Entry DOI | 10.2210/pdb6ex1/pdb |
Descriptor | Carbonic anhydrase 1, ZINC ION, 4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide, ... (6 entities in total) |
Functional Keywords | lyase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 58905.31 |
Authors | Ferraroni, M.,Supuran, C.T.,Chiapponi, D.,Chiaramonte, N. (deposition date: 2017-11-07, release date: 2018-10-10, Last modification date: 2024-01-17) |
Primary citation | Chiaramonte, N.,Bua, S.,Ferraroni, M.,Nocentini, A.,Bonardi, A.,Bartolucci, G.,Durante, M.,Lucarini, L.,Chiapponi, D.,Dei, S.,Manetti, D.,Teodori, E.,Gratteri, P.,Masini, E.,Supuran, C.T.,Romanelli, M.N. 2-Benzylpiperazine: A new scaffold for potent human carbonic anhydrase inhibitors. Synthesis, enzyme inhibition, enantioselectivity, computational and crystallographic studies and in vivo activity for a new class of intraocular pressure lowering agents. Eur J Med Chem, 151:363-375, 2018 Cited by PubMed: 29635168DOI: 10.1016/j.ejmech.2018.04.002 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.6 Å) |
Structure validation
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