4OPX

Structure of Human PARP-1 bound to a DNA double strand break in complex with (2R)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide

Summary for 4OPX

• Entry DOI: 10.2210/pdb4opx/pdb
• Related: 4DQY 4OQA 4OQB
• Descriptor: Poly [ADP-ribose] polymerase 1, DNA (26-MER), ZINC ION, ... (5 entities in total)
• Functional Keywords: zinc finger, dna binding, parp, polymerase, dna repair, poly(adp-ribosyl)ation, transferase-dna-transferase inhibitor complex, transferase/dna/transferase inhibitor
• Biological source: Homo sapiens (human); More
• Cellular location: Nucleus : P09874 P09874
• Total number of polymer chains: 6
• Total formula weight: 191547.23

Authors

Pascal, J.M.,Steffen, J.D. (deposition date: 2014-02-06, release date: 2014-07-02, Last modification date: 2023-09-20)

• Primary citation: Patel, M.R.,Bhatt, A.,Steffen, J.D.,Chergui, A.,Murai, J.,Pommier, Y.,Pascal, J.M.,Trombetta, L.D.,Fronczek, F.R.,Talele, T.T.; Discovery and Structure-Activity Relationship of Novel 2,3-Dihydrobenzofuran-7-carboxamide and 2,3-Dihydrobenzofuran-3(2H)-one-7-carboxamide Derivatives as Poly(ADP-ribose)polymerase-1 Inhibitors.; J.Med.Chem., 57:5579-5601, 2014; PubMed: 24922587; DOI: 10.1021/jm5002502

Experimental method

X-RAY DIFFRACTION (3.314 Å)