6GHK

Human PARP1 (ARTD1) - Catalytic domain in complex with inhibitor ME0527

Summary for 6GHK

DescriptorPoly [ADP-ribose] polymerase 1, ~{N}-[(1~{R})-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-oxidanylidene-1~{H}-quinazolin-2-yl)propanamide, SULFATE ION, ... (4 entities in total)
Functional Keywordsinhibitor, adp-ribosyl transferase, protein-ligand complex, transferase
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight81751.14
Authors
Primary citation
Karlberg, T.,Thorsell, A.G.,Lindgren, A.E.G.,Ekblad, T.,Spjut, S.,Elofsson, M.,Schuler, H.
Human PARP1 (ARTD1) - Catalytic domain in complex with inhibitor ME0527
To Be Published,
Experimental method
X-RAY DIFFRACTION (2.28 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.22630 2.8% 4.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution