5KCE

Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl, 2-chlorobenzyl OBHS-N derivative

Replaces:  4ZWH

Summary for 5KCE

Related5KCC 5KCD 5KCF 5KCT 5KCU 5KCW 5KD9
DescriptorEstrogen receptor, Nuclear receptor coactivator 2, (1S,2R,4S)-N-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, ... (4 entities in total)
Functional Keywordsnuclear receptor, transcription factor, ligand binding, protein-ligand complex, signaling protein, transcription
Biological sourceHomo sapiens (Human)
Cellular locationIsoform 1: Nucleus . Isoform 3: Nucleus. Nucleus P03372
Nucleus Q15596
Total number of polymer chains4
Total molecular weight63210.69
Authors
Primary citation
Srinivasan, S.,Nwachukwu, J.C.,Bruno, N.E.,Dharmarajan, V.,Goswami, D.,Kastrati, I.,Novick, S.,Nowak, J.,Cavett, V.,Zhou, H.B.,Boonmuen, N.,Zhao, Y.,Min, J.,Frasor, J.,Katzenellenbogen, B.S.,Griffin, P.R.,Katzenellenbogen, J.A.,Nettles, K.W.
Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13:111-118, 2017
PubMed: 27870835 (PDB entries with the same primary citation)
DOI: 10.1038/nchembio.2236
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.847 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.249400.7%0.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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