5VMP

Crystal Structure of Human KDM4 with Small Molecule Inhibitor QC5714

Summary for 5VMP

DescriptorLysine-specific demethylase 4A, NICKEL (II) ION, ZINC ION, ... (5 entities in total)
Functional Keywordskdm4, inhibitor-complex, demethylase, epigenetics, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationNucleus  O75164
Total number of polymer chains4
Total molecular weight173648.94
Authors
Hosfield, D.J. (deposition date: 2017-04-28, release date: 2017-09-27)
Primary citation
Chen, Y.K.,Bonaldi, T.,Cuomo, A.,Del Rosario, J.R.,Hosfield, D.J.,Kanouni, T.,Kao, S.C.,Lai, C.,Lobo, N.A.,Matuszkiewicz, J.,McGeehan, A.,O'Connell, S.M.,Shi, L.,Stafford, J.A.,Stansfield, R.K.,Veal, J.M.,Weiss, M.S.,Yuen, N.Y.,Wallace, M.B.
Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
ACS Med Chem Lett, 8:869-874, 2017
PubMed: 28835804 (PDB entries with the same primary citation)
DOI: 10.1021/acsmedchemlett.7b00220
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.48 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.262202.8%1.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 5vmp
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Molmil generated image of 5vmp
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Molmil generated image of 5vmp
rotated about y axis by 90°