Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T89534 Target Info
Target Name Estrogen receptor (ESR)
Synonyms Nuclear receptor subfamily 3 group A member 1; NR3A1; Estradiol receptor; ESR; ER-alpha; ER
Target Type Successful Target
Gene Name ESR1
Biochemical Class Nuclear hormone receptor
UniProt ID
ESR1_HUMAN
Ligand General Information  Top
Ligand Name Fusicoccin Ligand Info
Canonical SMILES CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)OC4C(C(C(C(O4)COC(C)(C)C=C)O)OC(=O)C)O)C(C)COC(=O)C)O)C)COC
InChI 1S/C36H56O12/c1-10-35(6,7)45-17-26-30(41)33(46-21(5)38)31(42)34(47-26)48-32-28-24(18(2)15-44-20(4)37)13-27(39)36(28,8)14-25-22(16-43-9)11-12-23(25)19(3)29(32)40/h10,14,18-19,22-23,26-27,29-34,39-42H,1,11-13,15-17H2,2-9H3/b25-14-/t18-,19-,22-,23+,26-,27+,29-,30-,31-,32-,33+,34-,36+/m1/s1
InChIKey KXTYBXCEQOANSX-WYKQKOHHSA-N
PubChem Compound ID 447573
Drug Binding Sites of Target  Top
PDB ID: 4JDD      14-3-3 protein interaction with Estrogen Receptor Alpha provides a novel drug target interface
Method X-ray diffraction Resolution 2.10 Å Mutation No [1]
PDB Sequence
FPAV
Residue
Distance (Å)
VAL595
3.655
Residue
Distance (Å)
PDB ID: 7NIZ      Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide and ligands Fusicoccin-A and WR-1065
Method X-ray diffraction Resolution 1.48 Å Mutation No [2]
PDB Sequence
FPAV
Residue
Distance (Å)
VAL595
3.687
Residue
Distance (Å)
References  Top
REF 1 Interaction of 14-3-3 proteins with the estrogen receptor alpha F domain provides a drug target interface. Proc Natl Acad Sci U S A. 2013 May 28;110(22):8894-9.
REF 2 Cooperative stabilisation of 14-3-3Sigma protein-protein interactions via covalent protein modification. Chem Sci. 2021 Sep 6;12(39):12985-12992.

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