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 T02506 Target Info
Target Name HUMAN estrogen receptor (ESR1)
Synonyms Nuclear receptor subfamily 3 group A member 1; NR3A1; Estradiol receptor; ESR; ER-alpha; ER
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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