8A92

p53-Y220C Core Domain in Complex with a Bromo-trifluoro-pyrazole-amine

Summary for 8A92

• Entry DOI: 10.2210/pdb8a92/pdb
• Descriptor: Cellular tumor antigen p53, 4-bromanyl-5-(trifluoromethyl)-1H-pyrazol-3-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... (6 entities in total)
• Functional Keywords: halogen bond, small molecule, heflib, stabilizer, p53, cell cycle
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 50235.14

Authors

Stahlecker, J.,Braun, M.B.,Stehle, T.,Boeckler, F.M. (deposition date: 2022-06-27, release date: 2022-11-09, Last modification date: 2024-01-31)

• Primary citation: Stahlecker, J.,Klett, T.,Schwer, M.,Jaag, S.,Dammann, M.,Ernst, L.N.,Braun, M.B.,Zimmermann, M.O.,Kramer, M.,Lammerhofer, M.,Stehle, T.,Coles, M.,Boeckler, F.M.; Revisiting a challenging p53 binding site: a diversity-optimized HEFLib reveals diverse binding modes in T-p53C-Y220C.; Rsc Med Chem, 13:1575-1586, 2022; PubMed: 36561072; DOI: 10.1039/d2md00246a

Experimental method

X-RAY DIFFRACTION (1.37 Å)