6VKQ

Crystal Structure of human PARP-1 CAT domain bound to inhibitor EB-47

Summary for 6VKQ

Entry DOI	10.2210/pdb6vkq/pdb
Descriptor	Poly [ADP-ribose] polymerase 1, 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, SULFATE ION (3 entities in total)
Functional Keywords	parp-1, poly(adp-ribose) polymerase, parp inhibitor, parp1, artd1, transferase, transferase-inhibitor complex, transferase/inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	4
Total formula weight	169592.71
Authors	Steffen, J.D.,Pascal, J.M. (deposition date: 2020-01-21, release date: 2020-06-17, Last modification date: 2023-10-11)
Primary citation	Zandarashvili, L.,Langelier, M.F.,Velagapudi, U.K.,Hancock, M.A.,Steffen, J.D.,Billur, R.,Hannan, Z.M.,Wicks, A.J.,Krastev, D.B.,Pettitt, S.J.,Lord, C.J.,Talele, T.T.,Pascal, J.M.,Black, B.E. Structural basis for allosteric PARP-1 retention on DNA breaks. Science, 368:-, 2020 Cited by PubMed: 32241924 DOI: 10.1126/science.aax6367 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.9 Å)

Structure validation