3U4S

Histone Lysine demethylase JMJD2A in complex with T11C peptide substrate crosslinked to N-oxalyl-D-cysteine

Summary for 3U4S

Related2OQ6
DescriptorLysine-specific demethylase 4A, HISTONE 3 TAIL ANALOG (T11C Peptide), NICKEL (II) ION, ... (6 entities in total)
Functional Keywordsdouble-stranded beta-helix, demethylase, histone 3 tail, nucleus, oxidoreductase-oxidoreductase substrate complex, oxidoreductase/oxidoreductase substrate
Biological sourceHomo sapiens (human)
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Cellular locationNucleus O75164 P68431
Total number of polymer chains4
Total molecular weight90989.21
Authors
Ma, J.,McDonough, M.A.,Schofield, C.J. (deposition date: 2011-10-10, release date: 2012-02-08, Last modification date: 2012-02-22)
Primary citation
Woon, E.C.,Tumber, A.,Kawamura, A.,Hillringhaus, L.,Ge, W.,Rose, N.R.,Ma, J.H.,Chan, M.C.,Walport, L.J.,Che, K.H.,Ng, S.S.,Marsden, B.D.,Oppermann, U.,McDonough, M.A.,Schofield, C.J.
Linking of 2-Oxoglutarate and Substrate Binding Sites Enables Potent and Highly Selective Inhibition of JmjC Histone Demethylases.
Angew.Chem.Int.Ed.Engl., 51:1631-1634, 2012
PubMed: 22241642 (PDB entries with the same primary citation)
DOI: 10.1002/anie.201107833
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.15 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.2211102.7%4.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 3u4s
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Molmil generated image of 3u4s
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Molmil generated image of 3u4s
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More Biological unit images

Molmil generated image of 3u4s
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Molmil generated image of 3u4s
rotated about x axis by 90°
Molmil generated image of 3u4s
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 (3u4s.pdb1.gz [126.48 KB])
Coordinate files for Biological unit (3u4s.pdb2.gz [126.52 KB])