4PY4

Crystal structure of human poly(ADP-ribose) polymerase 14, catalytic domain in complex with an inhibitor XL2

Summary for 4PY4

• Entry DOI: 10.2210/pdb4py4/pdb
• Descriptor: Poly [ADP-ribose] polymerase 14, 2-({4-[(1R)-1-(dimethylamino)ethyl]phenyl}amino)-6-fluoro-1,3-benzothiazole-4-carboxamide (3 entities in total)
• Functional Keywords: rossmann fold, catalyze the post-translational modification of proteins, using b-nad+, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus : Q460N5
• Total number of polymer chains: 2
• Total formula weight: 44024.93

Authors

Li, J.,Xu, Y. (deposition date: 2014-03-26, release date: 2015-04-01, Last modification date: 2023-11-08)

• Primary citation: Wang, P.,Li, J.,Jiang, X.,Liu, Z.,Ye, N.,Xu, Y.,Yang, G.,Xu, Y.,Zhang, A.; Palladium-catalyzed N-arylation of 2-aminobenzothiazole-4-carboxylates/carboxamides: facile synthesis of PARP14 inhibitors; Tetrahedron, 70:5666-5673, 2017; DOI: 10.1016/j.tet.2014.06.064

Experimental method

X-RAY DIFFRACTION (2.76 Å)