Calcium in PDB 2jf9: Estrogen Receptor Alpha Lbd in Complex with A Tamoxifen-Specific Peptide Antagonist

The structure of Estrogen Receptor Alpha Lbd in Complex with A Tamoxifen-Specific Peptide Antagonist, PDB code: 2jf9 was solved by N.Heldring, T.Pawson, D.Mcdonnell, E.Treuter, J.A.Gustafsson, A.C.W.Pike, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.10
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	193.707, 193.707, 64.441, 90.00, 90.00, 120.00
R / Rfree (%)	18 / 19.8

The binding sites of Calcium atom in the Estrogen Receptor Alpha Lbd in Complex with A Tamoxifen-Specific Peptide Antagonist (pdb code 2jf9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Estrogen Receptor Alpha Lbd in Complex with A Tamoxifen-Specific Peptide Antagonist, PDB code: 2jf9:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Estrogen Receptor Alpha Lbd in Complex with A Tamoxifen-Specific Peptide Antagonist


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Estrogen Receptor Alpha Lbd in Complex with A Tamoxifen-Specific Peptide Antagonist within 5.0Å range: probe atom residue distance (Å) B Occ P:Ca1014 b:56.4 occ:1.00 OXT P:SER13 2.2 38.0 1.0 O C:HOH2021 2.4 44.0 1.0 O P:ASP10 2.4 31.0 1.0 OG1 C:THR334 2.5 40.2 1.0 C P:SER13 3.3 37.9 1.0 C P:ASP10 3.4 31.4 1.0 CB C:THR334 3.5 41.3 1.0 O P:SER13 3.7 38.3 1.0 CA P:ASP10 3.8 31.1 1.0 CG2 C:THR334 4.2 41.6 1.0 OG P:SER13 4.4 37.1 1.0 CB P:ASP10 4.4 31.1 1.0 CA P:SER13 4.4 37.5 1.0 OD1 C:ASP332 4.4 35.5 1.0 OD2 C:ASP332 4.5 34.3 1.0 N P:SER13 4.5 37.4 1.0 N P:MET11 4.6 32.1 1.0 O C:THR334 4.7 42.2 1.0 O P:LYS9 4.7 30.3 1.0 CA C:THR334 4.8 41.3 1.0 C C:THR334 4.8 42.0 1.0 CG C:ASP332 4.9 35.5 1.0 OD1 P:ASP10 5.0 33.5 1.0

Calcium binding site 2 out of 2 in the Estrogen Receptor Alpha Lbd in Complex with A Tamoxifen-Specific Peptide Antagonist


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Estrogen Receptor Alpha Lbd in Complex with A Tamoxifen-Specific Peptide Antagonist within 5.0Å range: probe atom residue distance (Å) B Occ R:Ca1014 b:56.9 occ:1.00 O A:HOH2018 2.4 55.5 1.0 O R:ASP10 2.5 33.9 1.0 OXT R:SER13 2.5 44.8 1.0 OG1 A:THR334 2.5 40.3 1.0 C R:ASP10 3.4 34.1 1.0 CB A:THR334 3.6 41.7 1.0 C R:SER13 3.6 44.0 1.0 CA R:ASP10 3.8 33.5 1.0 O R:SER13 4.2 44.8 1.0 OD1 A:ASP332 4.3 34.6 1.0 CB R:ASP10 4.3 33.8 1.0 CG2 A:THR334 4.3 41.7 1.0 OD2 A:ASP332 4.3 35.1 1.0 OG R:SER13 4.5 43.5 1.0 N R:MET11 4.6 34.9 1.0 O A:THR334 4.6 43.0 1.0 CA R:SER13 4.7 43.5 1.0 CG A:ASP332 4.7 34.3 1.0 N R:SER13 4.7 42.4 1.0 C A:THR334 4.8 42.7 1.0 CA A:THR334 4.8 41.8 1.0 O R:LYS9 4.9 31.4 1.0 CG R:ASP10 5.0 35.3 1.0

N.Heldring, T.Pawson, D.Mcdonnell, E.Treuter, J.A.Gustafsson, A.C.W.Pike. Structural Insights Into Corepressor Recognition By Antagonist-Bound Estrogen Receptors. J.Biol.Chem. V. 282 10449 2007.
ISSN: ISSN 0021-9258
PubMed: 17283072
DOI: 10.1074/JBC.M611424200