Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS)

Summary for 4ZN9

Related4PP6 4ZN7 4ZNH 4ZNS 4ZNT 4ZNU 4ZNV 4ZNW
DescriptorEstrogen receptor, Nuclear receptor-interacting peptide, cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, ... (4 entities in total)
Functional Keywordsprotein ligand complex, transcription
Biological sourceHomo sapiens (Human)
Cellular locationIsoform 1: Nucleus . Isoform 3: Nucleus. Nucleus P03372
Nucleus Q15596
Total number of polymer chains4
Total molecular weight62695.63
Primary citation
Zheng, Y.,Zhu, M.,Srinivasan, S.,Nwachukwu, J.C.,Cavett, V.,Min, J.,Carlson, K.E.,Wang, P.,Dong, C.,Katzenellenbogen, J.A.,Nettles, K.W.,Zhou, H.B.
Development of selective estrogen receptor modulator (SERM)-like activity through an indirect mechanism of estrogen receptor antagonism: defining the binding mode of 7-oxabicyclo[2.2.1]hept-5-ene scaffold core ligands.
Chemmedchem, 7:1094-1100, 2012
PubMed: 22517684 (PDB entries with the same primary citation)
DOI: 10.1002/cmdc.201200048
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.239400.9%2.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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