Magnesium in PDB 6tjm: Crystal Structure of An Estrogen Receptor Alpha 8-Mer Phosphopeptide in Complex with 14-3-3SIGMA Stabilized By PYRROLIDONE1

The structure of Crystal Structure of An Estrogen Receptor Alpha 8-Mer Phosphopeptide in Complex with 14-3-3SIGMA Stabilized By PYRROLIDONE1, PDB code: 6tjm was solved by S.A.Andrei, F.Bosica, C.Ottmann, G.O'mahony, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	76.16 / 1.85
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	62.841, 152.310, 76.792, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 21.8

The binding sites of Magnesium atom in the Crystal Structure of An Estrogen Receptor Alpha 8-Mer Phosphopeptide in Complex with 14-3-3SIGMA Stabilized By PYRROLIDONE1 (pdb code 6tjm). 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 Crystal Structure of An Estrogen Receptor Alpha 8-Mer Phosphopeptide in Complex with 14-3-3SIGMA Stabilized By PYRROLIDONE1, PDB code: 6tjm:

Magnesium binding site 1 out of 1 in the Crystal Structure of An Estrogen Receptor Alpha 8-Mer Phosphopeptide in Complex with 14-3-3SIGMA Stabilized By PYRROLIDONE1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of An Estrogen Receptor Alpha 8-Mer Phosphopeptide in Complex with 14-3-3SIGMA Stabilized By PYRROLIDONE1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:48.1 occ:1.00 O A:HOH433 2.0 45.0 1.0 O A:HOH410 2.1 52.4 1.0 O14 A:NE5302 2.1 66.4 1.0 O A:HOH476 2.1 42.9 1.0 O A:HOH440 2.2 45.0 1.0 O11 A:NE5302 2.2 56.3 1.0 H111 A:NE5302 2.6 67.6 1.0 C13 A:NE5302 3.0 54.8 1.0 C10 A:NE5302 3.1 42.9 1.0 C12 A:NE5302 3.3 46.4 1.0 HB3 A:ASN42 3.5 48.8 1.0 HB A:VAL46 3.6 44.0 1.0 H231 A:NE5302 4.2 61.5 1.0 O A:HOH473 4.3 43.8 1.0 HG21 A:VAL46 4.3 54.4 1.0 OD1 A:ASN42 4.3 45.0 1.0 C08 A:NE5302 4.3 54.5 1.0 H161 A:NE5302 4.4 58.2 1.0 C15 A:NE5302 4.4 44.3 1.0 O A:HOH407 4.4 57.3 1.0 O A:HOH517 4.4 43.0 1.0 O A:ASN42 4.4 39.8 1.0 CB A:ASN42 4.4 40.6 1.0 CB A:VAL46 4.5 36.6 1.0 HG23 A:VAL46 4.5 54.4 1.0 CG2 A:VAL46 4.7 45.2 1.0 HG11 A:VAL46 4.7 57.4 1.0 C16 A:NE5302 4.8 48.5 1.0 CG A:ASN42 4.8 45.6 1.0 C23 A:NE5302 4.8 51.2 1.0 C21 A:NE5302 4.8 36.6 1.0 O09 A:NE5302 4.9 45.4 1.0 HB2 A:ASN42 5.0 48.8 1.0

F.Bosica, S.Andrei, J.F.Neves, P.Brandt, A.Gunnarsson, I.Landrieu, C.Ottmann, G.O'mahony. Design of Drug-Like Protein-Protein Interaction Stabilizers Guided By Chelation-Controlled Bioactive Conformation Stabilization. Chemistry 2020.
ISSN: ISSN 0947-6539
PubMed: 32255539
DOI: 10.1002/CHEM.202001608