7AAB
Crystal structure of the catalytic domain of human PARP1 in complex with inhibitor EB-47
Summary for 7AAB
Entry DOI | 10.2210/pdb7aab/pdb |
Related | 7AAA |
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, ... (4 entities in total) |
Functional Keywords | parp inhibitor, parylation, substrate mimetic, inhibitor, nadh analog, eb47, transferase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 80085.18 |
Authors | Schimpl, M.,Ogden, T.E.H.,Yang, J.-C.,Easton, L.E.,Underwood, E.,Rawlins, P.B.,Johannes, J.W.,Embrey, K.J.,Neuhaus, D. (deposition date: 2020-09-04, release date: 2021-01-13, Last modification date: 2024-05-01) |
Primary citation | Ogden, T.E.H.,Yang, J.C.,Schimpl, M.,Easton, L.E.,Underwood, E.,Rawlins, P.B.,McCauley, M.M.,Langelier, M.F.,Pascal, J.M.,Embrey, K.J.,Neuhaus, D. Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition. Nucleic Acids Res., 49:2266-2288, 2021 Cited by PubMed: 33511412DOI: 10.1093/nar/gkab020 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.8 Å) |
Structure validation
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