Magnesium in PDB 4nm0: Crystal Structure of Peptide Inhibitor-Free Gsk-3/Axin Complex

All present enzymatic activity of Crystal Structure of Peptide Inhibitor-Free Gsk-3/Axin Complex:
2.7.11.1; 2.7.11.26;

The structure of Crystal Structure of Peptide Inhibitor-Free Gsk-3/Axin Complex, PDB code: 4nm0 was solved by M.L.-H.Chu, J.L.Stamos, M.D.Enos, N.Shah, W.I.Weis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.05 / 2.50
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	81.303, 81.303, 280.829, 90.00, 90.00, 120.00
R / Rfree (%)	19.1 / 23.9

The structure of Crystal Structure of Peptide Inhibitor-Free Gsk-3/Axin Complex also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of Peptide Inhibitor-Free Gsk-3/Axin Complex (pdb code 4nm0). 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 Peptide Inhibitor-Free Gsk-3/Axin Complex, PDB code: 4nm0:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Peptide Inhibitor-Free Gsk-3/Axin Complex


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 Peptide Inhibitor-Free Gsk-3/Axin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg406 b:90.0 occ:1.00 O1B A:ADP408 2.0 91.7 0.7 OD1 A:ASP200 3.0 36.3 1.0 O A:HOH522 3.2 37.3 1.0 PB A:ADP408 3.5 92.8 0.7 O A:HOH563 3.5 47.0 1.0 OD2 A:ASP200 3.6 49.2 1.0 CG A:ASP200 3.7 39.5 1.0 O3B A:ADP408 4.0 92.8 0.7 CA A:GLY202 4.1 40.0 1.0 O2B A:ADP408 4.3 92.6 0.7 C A:GLY202 4.4 40.9 1.0 O3A A:ADP408 4.5 0.2 0.7 NZ A:LYS85 4.5 41.3 1.0 N A:GLY202 4.5 38.9 1.0 OG A:SER203 4.6 35.9 1.0 O A:GLY202 4.7 44.9 1.0 N A:SER203 4.9 36.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Peptide Inhibitor-Free Gsk-3/Axin Complex


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 Peptide Inhibitor-Free Gsk-3/Axin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg407 b:87.1 occ:1.00 O3B A:ADP408 2.1 92.8 0.7 OD1 A:ASN186 2.4 35.9 1.0 OD2 A:ASP200 2.7 49.2 1.0 O1A A:ADP408 2.8 72.2 0.7 NZ A:LYS183 3.3 37.9 1.0 CG A:ASN186 3.4 35.2 1.0 O A:HOH649 3.4 64.6 1.0 CG A:ASP200 3.5 39.5 1.0 PB A:ADP408 3.5 92.8 0.7 ND2 A:ASN186 3.7 36.0 1.0 CB A:ASP200 3.9 35.7 1.0 PA A:ADP408 4.0 69.5 0.7 O3A A:ADP408 4.2 0.2 0.7 C5' A:ADP408 4.3 67.1 0.7 O1B A:ADP408 4.3 91.7 0.7 O2B A:ADP408 4.4 92.6 0.7 OD1 A:ASP200 4.5 36.3 1.0 OD2 A:ASP181 4.6 41.3 1.0 O3' A:ADP408 4.7 62.5 0.7 O5' A:ADP408 4.7 67.9 0.7 C3' A:ADP408 4.7 65.4 0.7 CE A:LYS183 4.7 32.5 1.0 CB A:ASN186 4.8 27.1 1.0 O A:GLN185 5.0 38.1 1.0

J.L.Stamos, M.L.Chu, M.D.Enos, N.Shah, W.I.Weis. Structural Basis of Gsk-3 Inhibition By N-Terminal Phosphorylation and By the Wnt Receptor LRP6. Elife V. 3 01998 2014.
ISSN: ESSN 2050-084X
PubMed: 24642411