Magnesium in PDB 8vme: Crystal Structure of the Gsk-3/Axin Complex Bound to A Phosphorylated Beta-Catenin T41A Peptide

All present enzymatic activity of Crystal Structure of the Gsk-3/Axin Complex Bound to A Phosphorylated Beta-Catenin T41A Peptide:
2.7.11.1; 2.7.11.26;

The structure of Crystal Structure of the Gsk-3/Axin Complex Bound to A Phosphorylated Beta-Catenin T41A Peptide, PDB code: 8vme was solved by M.D.Enos, M.Gavagan, N.Jameson, J.G.Zalatan, W.I.Weis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.47 / 2.30
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.257, 82.257, 280.99, 90, 90, 120
R / Rfree (%)	n/a / 23

The structure of Crystal Structure of the Gsk-3/Axin Complex Bound to A Phosphorylated Beta-Catenin T41A Peptide also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of the Gsk-3/Axin Complex Bound to A Phosphorylated Beta-Catenin T41A Peptide (pdb code 8vme). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the Gsk-3/Axin Complex Bound to A Phosphorylated Beta-Catenin T41A Peptide, PDB code: 8vme:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Gsk-3/Axin Complex Bound to A Phosphorylated Beta-Catenin T41A Peptide


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 the Gsk-3/Axin Complex Bound to A Phosphorylated Beta-Catenin T41A Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:61.0 occ:1.00 OD1 A:ASN186 2.2 47.0 1.0 O1A A:ADP401 2.3 64.6 0.8 O1B A:ADP401 2.3 73.2 0.8 OD2 A:ASP200 2.4 62.7 1.0 CG A:ASN186 3.2 49.3 1.0 O A:HOH537 3.3 74.3 1.0 CG A:ASP200 3.4 57.5 1.0 PA A:ADP401 3.6 64.3 0.8 PB A:ADP401 3.7 67.9 0.8 ND2 A:ASN186 3.7 47.6 1.0 O3' A:ADP401 3.8 64.1 0.8 CB A:ASP200 3.9 50.7 1.0 O3A A:ADP401 4.0 66.2 0.8 C5' A:ADP401 4.1 65.9 0.8 O5' A:ADP401 4.3 63.8 0.8 O A:HOH621 4.3 68.4 1.0 O3B A:ADP401 4.3 68.7 0.8 C3' A:ADP401 4.4 65.3 0.8 O A:GLN185 4.5 46.4 1.0 OD1 A:ASP200 4.5 48.9 1.0 CE A:LYS183 4.5 58.4 1.0 CB A:ASN186 4.5 43.2 1.0 CA A:ASN186 4.7 43.5 1.0 C4' A:ADP401 4.7 64.1 0.8 C A:GLN185 4.7 51.8 1.0 MG A:MG403 4.8 68.2 1.0 O2A A:ADP401 4.8 64.1 0.8 O2B A:ADP401 4.8 79.8 0.8 CB A:GLN185 4.8 41.6 1.0 N A:ASN186 4.9 45.5 1.0 OD2 A:ASP181 4.9 67.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Gsk-3/Axin Complex Bound to A Phosphorylated Beta-Catenin T41A Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Gsk-3/Axin Complex Bound to A Phosphorylated Beta-Catenin T41A Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:68.2 occ:1.00 O A:HOH584 2.2 69.0 1.0 O A:HOH518 2.2 61.2 1.0 OD1 A:ASP200 2.3 48.9 1.0 O3B A:ADP401 2.3 68.7 0.8 O A:HOH621 2.3 68.4 1.0 OD2 A:ASP200 2.8 62.7 1.0 CG A:ASP200 2.9 57.5 1.0 PB A:ADP401 3.5 67.9 0.8 O1B A:ADP401 3.6 73.2 0.8 OD2 A:ASP181 3.7 67.8 1.0 O A:HOH582 3.9 77.5 1.0 CD2 A:PHE67 3.9 91.4 0.5 OG A:SER203 4.3 60.3 1.0 CB A:ASP200 4.4 50.7 1.0 O2B A:ADP401 4.4 79.8 0.8 N A:GLY202 4.5 55.0 1.0 CA A:GLY202 4.6 51.6 1.0 O3A A:ADP401 4.6 66.2 0.8 CE2 A:PHE67 4.6 86.6 0.5 O A:HOH537 4.7 74.3 1.0 CZ A:PHE67 4.7 91.5 0.5 CE2 A:PHE67 4.7 87.1 0.5 NZ A:LYS85 4.7 68.8 1.0 O A:HOH595 4.8 70.5 1.0 C A:GLY202 4.8 60.6 1.0 MG A:MG402 4.8 61.0 1.0 N A:SER203 4.8 50.7 1.0 CG A:ASP181 4.8 60.4 1.0 CB A:PHE67 4.9 85.6 0.5 CG A:PHE67 4.9 89.2 0.5 O A:ASP200 4.9 50.5 1.0 O1A A:ADP401 5.0 64.6 0.8

M.D.Enos, M.Gavagan, N.Jameson, J.G.Zalatan, W.I.Weis. Structural and Functional Effects of Phosphopriming and Scaffolding in the Kinase GSK3BETA Sci.Signal. 2024.
ISSN: ESSN 1937-9145
DOI: 10.1126/SCISIGNAL.ADO0881