3MHC

Crystal structure of human cabonic anhydrase II in adduct with an adamantyl analogue of acetazolamide in a novel hydrophobic binding pocket

Summary for 3MHC

Entry DOI	10.2210/pdb3mhc/pdb
Descriptor	Carbonic anhydrase 2, ZINC ION, (3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, ... (4 entities in total)
Functional Keywords	carbonic anhydrase inhibitors, adamantyl, acetazolamide, lyase
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: P00918
Total number of polymer chains	1
Total formula weight	29696.91
Authors	Avvaru, B.S. (deposition date: 2010-04-07, release date: 2010-07-21, Last modification date: 2023-09-06)
Primary citation	Avvaru, B.S.,Wagner, J.M.,Maresca, A.,Scozzafava, A.,Robbins, A.H.,Supuran, C.T.,McKenna, R. Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors. Bioorg.Med.Chem.Lett., 20:4376-4381, 2010 Cited by PubMed: 20605094 DOI: 10.1016/j.bmcl.2010.06.082 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.698 Å)

Structure validation