4URA

Crystal structure of human JMJD2A in complex with compound 14a

Summary for 4URA

DescriptorLYSINE-SPECIFIC DEMETHYLASE 4A, 1,2-ETHANEDIOL, SULFATE ION, ... (7 entities in total)
Functional Keywordsoxidoreductase, jumonjic, histone demethylase
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationNucleus  O75164
Total number of polymer chains2
Total molecular weight84591.95
Authors
Primary citation
England, K.S.,Tumber, A.,Krojer, T.,Scozzafava, G.,Ng, S.S.,Daniel, M.,Szykowska, A.,Che, K.,von Delft, F.,Burgess-Brown, N.A.,Kawamura, A.,Schofield, C.J.,Brennan, P.E.
Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor.
Medchemcomm, 5:1879-1886, 2014
PubMed: 26682034 (PDB entries with the same primary citation)
DOI: 10.1039/C4MD00291A
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.23 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.26040.1%2.1%1.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 4ura
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Molmil generated image of 4ura
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Molmil generated image of 4ura
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More Biological unit images

Molmil generated image of 4ura
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Molmil generated image of 4ura
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Molmil generated image of 4ura
rotated about y axis by 90°
(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (4ura.pdb1.gz [60.54 KB])
Coordinate files for Biological unit (4ura.pdb2.gz [61.17 KB])