6MJ5

Crystal structure of Tdp1 catalytic domain in complex with compound XZ519

Summary for 6MJ5

• Entry DOI: 10.2210/pdb6mj5/pdb
• Descriptor: Tyrosyl-DNA phosphodiesterase 1, 1,2-ETHANEDIOL, 4-hydroxy-8-nitroquinoline-3-carboxylic acid, ... (4 entities in total)
• Functional Keywords: fragment based drug design, anti-cancer drug design, dna binding protein, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 104857.19

Authors

Lountos, G.T.,Zhao, X.Z.,Kiselev, E.,Tropea, J.E.,Needle, D.,Burke Jr., T.R.,Pommier, Y.,Waugh, D.S. (deposition date: 2018-09-20, release date: 2019-07-03, Last modification date: 2023-10-11)

• Primary citation: Lountos, G.T.,Zhao, X.Z.,Kiselev, E.,Tropea, J.E.,Needle, D.,Pommier, Y.,Burke, T.R.,Waugh, D.S.; Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.; Nucleic Acids Res., 47:10134-10150, 2019; PubMed: 31199869; DOI: 10.1093/nar/gkz515

Experimental method

X-RAY DIFFRACTION (1.853 Å)