Magnesium in PDB 8a9g: Binary Complex of 14-3-3 Zeta Glucocorticoid Receptor (Gr) PT524 Peptide Stabilised By (R)-Para CHLOROPYRROLIDONE1

The structure of Binary Complex of 14-3-3 Zeta Glucocorticoid Receptor (Gr) PT524 Peptide Stabilised By (R)-Para CHLOROPYRROLIDONE1, PDB code: 8a9g was solved by C.C.Munier, K.Edman, M.W.D.Perry, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.85 / 1.96
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.35, 78.07, 122.57, 90, 90, 90
R / Rfree (%)	25 / 26.1

The structure of Binary Complex of 14-3-3 Zeta Glucocorticoid Receptor (Gr) PT524 Peptide Stabilised By (R)-Para CHLOROPYRROLIDONE1 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Binary Complex of 14-3-3 Zeta Glucocorticoid Receptor (Gr) PT524 Peptide Stabilised By (R)-Para CHLOROPYRROLIDONE1 (pdb code 8a9g). 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 Binary Complex of 14-3-3 Zeta Glucocorticoid Receptor (Gr) PT524 Peptide Stabilised By (R)-Para CHLOROPYRROLIDONE1, PDB code: 8a9g:

Magnesium binding site 1 out of 1 in the Binary Complex of 14-3-3 Zeta Glucocorticoid Receptor (Gr) PT524 Peptide Stabilised By (R)-Para CHLOROPYRROLIDONE1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Binary Complex of 14-3-3 Zeta Glucocorticoid Receptor (Gr) PT524 Peptide Stabilised By (R)-Para CHLOROPYRROLIDONE1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:88.7 occ:1.00 O7 B:QJK303 2.1 78.8 1.0 O B:HOH437 2.2 40.7 1.0 O B:HOH436 2.2 73.0 1.0 O15 B:QJK303 2.3 78.5 1.0 O B:HOH500 2.8 49.1 1.0 C35 B:QJK303 3.2 78.8 1.0 C16 B:QJK303 3.3 78.4 1.0 C34 B:QJK303 3.7 78.7 1.0 O B:HOH534 4.0 71.5 1.0 O B:HOH518 4.0 54.5 1.0 O B:HOH496 4.5 48.3 1.0 C31 B:QJK303 4.5 78.8 1.0 C14 B:QJK303 4.6 78.4 1.0 O30 B:QJK303 5.0 78.9 1.0

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