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

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: 20363633
DOI: 10.1016/j.bmc.2010.03.014

Experimental method

X-RAY DIFFRACTION (1.72 Å)