6DQE

LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N67 i.e. 2-(5-phenyl-4-(phenyl(2-(piperidin-1-yl)ethoxy)methyl)-1H-pyrazol-1-yl)isonicotinic acid

Summary for 6DQE

DescriptorLinked KDM5A Jmj Domain, 2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid, MANGANESE (II) ION, ... (6 entities in total)
Functional Keywordsdemethylase inhibition, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight38808.84
Authors
Horton, J.R.,Cheng, X. (deposition date: 2018-06-10, release date: 2019-06-12)
Primary citation
Horton, J.R.,Liu, X.,Woodcock, C.B.,Shanks, J.,Zhang, X.,Rai, G.,Mott, B.,Jansen, D.J.,Kales, S.,Henderson, M.J.,Pohida, K.,Fang, Y.,Hu, X.,Jadhav, A.,Maloney, D.,Hall, M.D.,Simeonov, A.,Fu, H.,Vertino, P.M.,Cheng, X.
To be determined
To Be Published,
Experimental method
X-RAY DIFFRACTION (1.689 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.18720 0.8% 7.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution