8FAU

Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with 4-phenylthiazole-2(3H)-thione

Summary for 8FAU

• Entry DOI: 10.2210/pdb8fau/pdb
• Related: 8FAL
• Descriptor: Carbonic anhydrase 2, 4-phenyl-1,3-thiazole-2(3H)-thione, ZINC ION, ... (5 entities in total)
• Functional Keywords: human carbonic anhydrases, matrix metalloproteinases, metal binding pharmacophore, fragment based drug discovery, lyase, lyase-inhibitor complex, lyase/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 29643.82

Authors

Kohlbrand, A.J.,Seo, H. (deposition date: 2022-11-28, release date: 2023-03-01)

• 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; PubMed: 36735025; DOI: 10.1039/d2cc06596g

Experimental method

X-RAY DIFFRACTION (1.44 Å)