Structure of PARP1 catalytic domain bound to inhibitor BMN 673

Summary for 4PJT

DescriptorPoly [ADP-ribose] polymerase 1, SULFATE ION, (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, ... (5 entities in total)
Functional Keywordsparp1, inhibitor, complex, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationNucleus  P09874
Total number of polymer chains4
Total molecular weight168887.98
Aoyagi-Scharber, M.,Gardberg, A.S.,Arakaki, T.L. (deposition date: 2014-05-12, release date: 2014-09-24, Last modification date: 2017-11-22)
Primary citation
Aoyagi-Scharber, M.,Gardberg, A.S.,Yip, B.K.,Wang, B.,Shen, Y.,Fitzpatrick, P.A.
Structural basis for the inhibition of poly(ADP-ribose) polymerases 1 and 2 by BMN 673, a potent inhibitor derived from dihydropyridophthalazinone.
Acta Crystallogr.,Sect.F, 70:1143-1149, 2014
PubMed: 25195882 (PDB entries with the same primary citation)
DOI: 10.1107/S2053230X14015088
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.228202.6%4.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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