6DIE

Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment benzene-1,2,4-tricarboxylic acid from single soak

Summary for 6DIE

• Entry DOI: 10.2210/pdb6die/pdb
• Descriptor: Tdp1 catalytic domain (residues 149-609), benzene-1,2,4-tricarboxylic acid, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: fragment-based drug design, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 104921.22

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: 2018-05-23, release date: 2019-05-29, 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 (1.78 Å)