Magnesium in PDB 7ujo: Estrogen Receptor Alpha Ligand Binding Domain in Complex with RU39411

The structure of Estrogen Receptor Alpha Ligand Binding Domain in Complex with RU39411, PDB code: 7ujo was solved by D.J.Hosfield, G.L.Greene, S.W.Fanning, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.45
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	58.234, 58.234, 275.27, 90, 90, 120
R / Rfree (%)	20.6 / 22.8

The binding sites of Magnesium atom in the Estrogen Receptor Alpha Ligand Binding Domain in Complex with RU39411 (pdb code 7ujo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Estrogen Receptor Alpha Ligand Binding Domain in Complex with RU39411, PDB code: 7ujo:

Magnesium binding site 1 out of 1 in the Estrogen Receptor Alpha Ligand Binding Domain in Complex with RU39411


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Estrogen Receptor Alpha Ligand Binding Domain in Complex with RU39411 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:41.4 occ:1.00 O A:HOH839 3.1 33.3 1.0 O A:HOH789 3.2 29.4 1.0 CD2 A:LEU495 3.9 29.3 1.0 NE A:ARG503 3.9 18.1 1.0 CZ A:ARG503 4.0 18.2 1.0 CD1 A:LEU495 4.2 22.2 1.0 CD A:ARG503 4.3 15.1 1.0 NH2 A:ARG503 4.3 21.7 1.0 CG A:LEU495 4.4 26.8 1.0 CB A:ALA493 4.4 25.0 1.0 NH1 A:ARG503 4.4 19.0 1.0 OE2 A:GLU444 4.7 18.8 1.0

D.J.Hosfield, S.Weber, N.S.Li, M.Suavage, C.F.Joiner, G.R.Hancock, E.A.Sullivan, E.Ndukwe, R.Han, S.Cush, M.Laine, S.C.Mader, G.L.Greene, S.W.Fanning. Stereospecific Lasofoxifene Derivatives Reveal the Interplay Between Estrogen Receptor Alpha Stability and Antagonistic Activity in ESR1 Mutant Breast Cancer Cells. Elife V. 11 2022.
ISSN: ESSN 2050-084X
PubMed: 35575456
DOI: 10.7554/ELIFE.72512