Magnesium in PDB 7pwt: Crystal Structure of 14-3-3 Sigma in Complex with A C-Terminal Estrogen Receptor Alpha Phosphopeptide, Stabilised By Pyrrolidone Derivative 228

The structure of Crystal Structure of 14-3-3 Sigma in Complex with A C-Terminal Estrogen Receptor Alpha Phosphopeptide, Stabilised By Pyrrolidone Derivative 228, PDB code: 7pwt was solved by S.A.Andrei, F.Bosica, G.O'mahony, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.53 / 2.31
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	63.838, 151.081, 77.721, 90, 90, 90
R / Rfree (%)	22.8 / 25.4

The binding sites of Magnesium atom in the Crystal Structure of 14-3-3 Sigma in Complex with A C-Terminal Estrogen Receptor Alpha Phosphopeptide, Stabilised By Pyrrolidone Derivative 228 (pdb code 7pwt). 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 14-3-3 Sigma in Complex with A C-Terminal Estrogen Receptor Alpha Phosphopeptide, Stabilised By Pyrrolidone Derivative 228, PDB code: 7pwt:

Magnesium binding site 1 out of 1 in the Crystal Structure of 14-3-3 Sigma in Complex with A C-Terminal Estrogen Receptor Alpha Phosphopeptide, Stabilised By Pyrrolidone Derivative 228


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 14-3-3 Sigma in Complex with A C-Terminal Estrogen Receptor Alpha Phosphopeptide, Stabilised By Pyrrolidone Derivative 228 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:78.0 occ:1.00 O01 A:PJN402 1.9 78.8 1.0 O A:HOH572 2.1 49.7 1.0 O05 A:PJN402 2.3 76.3 1.0 H051 A:PJN402 2.4 91.7 1.0 HD22 A:ASN42 2.8 72.1 0.5 C02 A:PJN402 3.0 79.2 1.0 C04 A:PJN402 3.1 75.8 1.0 C03 A:PJN402 3.3 76.7 1.0 O A:HOH522 3.6 60.5 1.0 ND2 A:ASN42 3.6 48.2 0.5 HD21 A:ASN42 3.7 72.1 0.5 O A:HOH667 4.0 51.9 1.0 HG21 A:VAL46 4.3 37.8 1.0 C26 A:PJN402 4.3 81.7 1.0 C06 A:PJN402 4.6 75.9 1.0 HG22 A:VAL46 4.7 37.8 1.0 CG A:ASN42 4.7 48.9 0.5 H311 A:PJN402 4.8 99.6 1.0 CG2 A:VAL46 4.8 34.9 1.0 HG23 A:VAL46 4.9 37.8 1.0 C16 A:PJN402 4.9 76.0 1.0 OD1 A:ASN42 5.0 52.6 0.5

J.S.Pallesen, C.C.Munier, F.Bosica, S.A.Andrei, K.Edman, A.Gunnarsson, G.La Sala, O.D.Putra, S.Srdanovic, A.J.Wilson, L.Wissler, C.Ottmann, M.W.D.Perry, G.O'mahony. Designing Selective Drug-Like Molecular Glues For the Glucocorticoid Receptor/14-3-3 Protein-Protein Interaction. J.Med.Chem. V. 65 16818 2022.
ISSN: ISSN 0022-2623
PubMed: 36484727
DOI: 10.1021/ACS.JMEDCHEM.2C01635