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Sodium in PDB 6h0u: Glycogen Synthase Kinase-3 Beta (GSK3) Complex with A Covalent [1,2, 4]Triazolo[1,5-A][1,3,5]Triazine Inhibitor

Enzymatic activity of Glycogen Synthase Kinase-3 Beta (GSK3) Complex with A Covalent [1,2, 4]Triazolo[1,5-A][1,3,5]Triazine Inhibitor

All present enzymatic activity of Glycogen Synthase Kinase-3 Beta (GSK3) Complex with A Covalent [1,2, 4]Triazolo[1,5-A][1,3,5]Triazine Inhibitor:
2.7.11.1; 2.7.11.26;

Protein crystallography data

The structure of Glycogen Synthase Kinase-3 Beta (GSK3) Complex with A Covalent [1,2, 4]Triazolo[1,5-A][1,3,5]Triazine Inhibitor, PDB code: 6h0u was solved by I.Marcovich, N.Demitri, R.De Zorzi, P.Storici, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.27 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 86.803, 94.542, 106.579, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / 24

Other elements in 6h0u:

The structure of Glycogen Synthase Kinase-3 Beta (GSK3) Complex with A Covalent [1,2, 4]Triazolo[1,5-A][1,3,5]Triazine Inhibitor also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Glycogen Synthase Kinase-3 Beta (GSK3) Complex with A Covalent [1,2, 4]Triazolo[1,5-A][1,3,5]Triazine Inhibitor (pdb code 6h0u). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Glycogen Synthase Kinase-3 Beta (GSK3) Complex with A Covalent [1,2, 4]Triazolo[1,5-A][1,3,5]Triazine Inhibitor, PDB code: 6h0u:

Sodium binding site 1 out of 1 in 6h0u

Go back to Sodium Binding Sites List in 6h0u
Sodium binding site 1 out of 1 in the Glycogen Synthase Kinase-3 Beta (GSK3) Complex with A Covalent [1,2, 4]Triazolo[1,5-A][1,3,5]Triazine Inhibitor


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Glycogen Synthase Kinase-3 Beta (GSK3) Complex with A Covalent [1,2, 4]Triazolo[1,5-A][1,3,5]Triazine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na506

b:44.5
occ:1.00
 O B:HOH635 3.6 39.3 1.0
O B:GLU283 3.6 33.2 1.0
O B:HOH705 4.2 20.2 1.0
O B:HOH662 4.2 33.5 1.0
O B:HOH713 4.2 27.8 1.0
OD2 B:ASP233 4.5 38.5 1.0
C B:GLU283 4.6 33.2 1.0
O B:ASP233 4.6 32.2 1.0
CG B:ASP233 4.9 34.0 1.0

Reference:

S.Redenti, I.Marcovich, T.De Vita, C.Perez, R.De Zorzi, N.Demitri, D.I.Perez, G.Bottegoni, P.Bisignano, M.Bissaro, S.Moro, A.Martinez, P.Storici, G.Spalluto, A.Cavalli, S.Federico. A Triazolotriazine-Based Dual Gsk-3 Beta /Ck-1 Delta Ligand As A Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition. Chemmedchem V. 14 310 2019.
ISSN: ESSN 1860-7187
PubMed: 30548443
DOI: 10.1002/CMDC.201800778
Page generated: Tue Dec 15 12:18:46 2020

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