5A80

Crystal structure of human JMJD2A in complex with compound 40

Summary for 5A80

Related5A7N 5A7O 5A7P 5A7Q 5A7S 5A7W
DescriptorLYSINE-SPECIFIC DEMETHYLASE 4A, SULFATE ION, MANGANESE (II) ION, ... (7 entities in total)
Functional Keywordsoxidoreductase, jmjd2a, kdm4a
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationNucleus  O75164
Total number of polymer chains2
Total molecular weight90462.8
Authors
Primary citation
Korczynska, M.,Le, D.D.,Younger, N.,Gregori-Puigjane, E.,Tumber, A.,Krojer, T.,Velupillai, S.,Gileadi, C.,Nowak, R.P.,Iwasa, E.,Pollock, S.B.,Ortiz Torres, I.,Oppermann, U.,Shoichet, B.K.,Fujimori, D.G.
Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59:1580-, 2016
PubMed: 26699912 (PDB entries with the same primary citation)
DOI: 10.1021/ACS.JMEDCHEM.5B01527
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.28 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.24940.1%1.1%0.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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More Biological unit images

Molmil generated image of 5a80
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Molmil generated image of 5a80
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Molmil generated image of 5a80
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(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (5a80.pdb1.gz [61.09 KB])
Coordinate files for Biological unit (5a80.pdb2.gz [61.41 KB])