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Magnesium in PDB 8vmf: Crystal Structure of A Transition-State Mimic of the Gsk-3/Axin Complex Bound to A Beta-Catenin S45D Peptide

Enzymatic activity of Crystal Structure of A Transition-State Mimic of the Gsk-3/Axin Complex Bound to A Beta-Catenin S45D Peptide

All present enzymatic activity of Crystal Structure of A Transition-State Mimic of the Gsk-3/Axin Complex Bound to A Beta-Catenin S45D Peptide:
2.7.11.1; 2.7.11.26;

Protein crystallography data

The structure of Crystal Structure of A Transition-State Mimic of the Gsk-3/Axin Complex Bound to A Beta-Catenin S45D Peptide, PDB code: 8vmf 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) 39.07 / 2.50
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 82.251, 82.251, 280.354, 90, 90, 120
R / Rfree (%) 20.9 / 25.1

Other elements in 8vmf:

The structure of Crystal Structure of A Transition-State Mimic of the Gsk-3/Axin Complex Bound to A Beta-Catenin S45D Peptide also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Fluorine (F) 3 atoms
Aluminium (Al) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of A Transition-State Mimic of the Gsk-3/Axin Complex Bound to A Beta-Catenin S45D Peptide (pdb code 8vmf). 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 A Transition-State Mimic of the Gsk-3/Axin Complex Bound to A Beta-Catenin S45D Peptide, PDB code: 8vmf:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 8vmf

Go back to Magnesium Binding Sites List in 8vmf
Magnesium binding site 1 out of 2 in the Crystal Structure of A Transition-State Mimic of the Gsk-3/Axin Complex Bound to A Beta-Catenin S45D 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 A Transition-State Mimic of the Gsk-3/Axin Complex Bound to A Beta-Catenin S45D Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:70.5
occ:1.00
O1B A:ADP504 2.5 100.5 0.8
OD1 A:ASN186 2.5 51.6 1.0
OD2 A:ASP200 2.8 71.0 1.0
O A:HOH703 2.9 64.7 1.0
O5' A:ADP504 3.3 94.7 0.8
AL A:AF3503 3.4 83.2 0.6
C5' A:ADP504 3.6 95.9 0.8
F3 A:AF3503 3.6 89.5 0.6
CG A:ASN186 3.6 47.8 1.0
O3A A:ADP504 3.7 97.5 0.8
PB A:ADP504 3.7 100.2 0.8
F1 A:AF3503 3.8 64.8 0.6
CG A:ASP200 3.8 67.1 1.0
ND2 A:ASN186 4.1 51.2 1.0
CE A:LYS183 4.2 51.9 1.0
PA A:ADP504 4.2 94.9 0.8
C3' A:ADP504 4.3 93.3 0.8
CB A:ASP200 4.3 61.5 1.0
F2 A:AF3503 4.3 86.3 0.6
O3' A:ADP504 4.4 94.7 0.8
O3B A:ADP504 4.4 102.3 0.8
NZ A:LYS183 4.4 59.2 1.0
C4' A:ADP504 4.5 94.5 0.8
O A:GLN185 4.5 49.2 1.0
CB A:GLN185 4.6 47.4 1.0
C A:GLN185 4.7 45.8 1.0
OD1 A:ASP200 4.8 62.9 1.0
O1A A:ADP504 4.9 93.3 0.8
CB A:ASN186 4.9 45.7 1.0
O2B A:ADP504 4.9 100.2 0.8
CA A:GLY65 4.9 82.9 0.4
N A:ASN186 4.9 45.7 1.0
CA A:ASN186 5.0 46.7 1.0

Magnesium binding site 2 out of 2 in 8vmf

Go back to Magnesium Binding Sites List in 8vmf
Magnesium binding site 2 out of 2 in the Crystal Structure of A Transition-State Mimic of the Gsk-3/Axin Complex Bound to A Beta-Catenin S45D 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 A Transition-State Mimic of the Gsk-3/Axin Complex Bound to A Beta-Catenin S45D Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:82.7
occ:1.00
O3B A:ADP504 2.3 102.3 0.8
O A:HOH647 2.6 61.2 1.0
OD1 A:ASP200 2.6 62.9 1.0
F2 A:AF3503 2.8 86.3 0.6
CG A:ASP200 3.6 67.1 1.0
CE1 A:PHE67 3.6 126.1 0.6
PB A:ADP504 3.7 100.2 0.8
OD2 A:ASP200 3.7 71.0 1.0
CZ A:PHE67 3.8 124.4 0.6
CA A:GLY202 3.9 55.8 1.0
CD1 A:PHE67 4.0 124.7 0.6
O3A A:ADP504 4.1 97.5 0.8
CB A:PHE67 4.2 124.8 0.4
N A:GLY202 4.3 54.1 1.0
C A:GLY202 4.3 59.9 1.0
AL A:AF3503 4.3 83.2 0.6
CE2 A:PHE67 4.4 122.8 0.6
NZ A:LYS85 4.4 67.7 1.0
CD1 A:PHE67 4.5 123.4 0.4
CG A:PHE67 4.5 124.5 0.6
O1B A:ADP504 4.6 100.5 0.8
OG A:SER203 4.6 61.6 1.0
CD2 A:PHE67 4.7 123.8 0.6
O2B A:ADP504 4.7 100.2 0.8
CG A:PHE67 4.7 124.6 0.4
N A:SER203 4.7 56.4 1.0
O A:GLY202 4.8 70.0 1.0
OD2 A:ASP181 4.9 57.9 1.0
CB A:ASP200 5.0 61.5 1.0

Reference:

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
Page generated: Fri Aug 15 17:41:39 2025

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