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 Cited by PubMed: 31199869DOI: 10.1093/nar/gkz515 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.78 Å) |
Structure validation
Download full validation report![Download](/newweb/media/icons/dl.png)
![Download](/newweb/media/icons/dl.png)