3FW3
Crystal Structure of soluble domain of CA4 in complex with Dorzolamide
Summary for 3FW3
| Entry DOI | 10.2210/pdb3fw3/pdb |
| Related | 3F7B 3F7U |
| Descriptor | Carbonic anhydrase 4, ZINC ION, (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, ... (6 entities in total) |
| Functional Keywords | structure-based drug design. small molecule complex. co-crystal, cell membrane, disease mutation, glycoprotein, gpi-anchor, lipoprotein, lyase, membrane, metal-binding, polymorphism, retinitis pigmentosa, sensory transduction, vision, zinc |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 2 |
| Total formula weight | 61880.93 |
| Authors | Greasley, S.E.,Ferre, R.A.A.,Paz, R.,Wickersham, J. (deposition date: 2009-01-16, release date: 2009-12-01, Last modification date: 2024-11-06) |
| Primary citation | Vernier, W.,Chong, W.,Rewolinski, D.,Greasley, S.,Pauly, T.,Shaw, M.,Dinh, D.,Ferre, R.A.,Nukui, S.,Ornelas, M.,Reyner, E. Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation. Bioorg.Med.Chem., 18:3307-3319, 2010 Cited by PubMed Abstract: A novel series of potent thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV was discovered using structure-based drug design. Synthesis, structure-activity relationship, and optimization of physicochemical properties are described. Low nanomolar potency was achieved, and selected compounds with improved thermodynamic solubility showed promising in vitro inhibition of carbonic anhydrase activity in rabbit iris ciliary body homogenate. PubMed: 20363633DOI: 10.1016/j.bmc.2010.03.014 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.72 Å) |
Structure validation
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