8FAL
Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with benzo[d]thiazole-2(3H)-thione
Summary for 8FAL
Entry DOI | 10.2210/pdb8fal/pdb |
Descriptor | Carbonic anhydrase 2, ZINC ION, 1,3-benzothiazole-2(3H)-thione, ... (6 entities in total) |
Functional Keywords | human carbonic anhydrases, matrix metalloproteinases, metal binding pharmacophore, fragment based drug discovery, lyase |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 1 |
Total formula weight | 29921.56 |
Authors | Kohlbrand, A.J.,Seo, H. (deposition date: 2022-11-28, release date: 2023-03-01, Last modification date: 2023-11-08) |
Primary citation | Seo, H.,Kohlbrand, A.J.,Stokes, R.W.,Chung, J.,Cohen, S.M. Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs. Chem.Commun.(Camb.), 59:2283-2286, 2023 Cited by PubMed: 36735025DOI: 10.1039/d2cc06596g PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.37 Å) |
Structure validation
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