Calcium in PDB 7sxf: Bio-2895 (BRD0705) Bound GSK3ALPHA-Axin Complex

All present enzymatic activity of Bio-2895 (BRD0705) Bound GSK3ALPHA-Axin Complex:
2.7.11.1; 2.7.11.26;

The structure of Bio-2895 (BRD0705) Bound GSK3ALPHA-Axin Complex, PDB code: 7sxf was solved by J.V.Chodaparambil, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.43 / 1.94
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	119.93, 55.71, 66.56, 90, 97.71, 90
R / Rfree (%)	20.1 / 23.5

The binding sites of Calcium atom in the Bio-2895 (BRD0705) Bound GSK3ALPHA-Axin Complex (pdb code 7sxf). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Bio-2895 (BRD0705) Bound GSK3ALPHA-Axin Complex, PDB code: 7sxf:

Calcium binding site 1 out of 1 in the Bio-2895 (BRD0705) Bound GSK3ALPHA-Axin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bio-2895 (BRD0705) Bound GSK3ALPHA-Axin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:69.3 occ:1.00 OE2 A:GLU331 2.3 59.8 1.0 O A:HOH641 2.3 71.4 1.0 O A:HOH666 2.4 65.4 1.0 OD1 A:ASP327 2.5 52.9 1.0 OD2 A:ASP327 2.7 52.6 1.0 CG A:ASP327 2.9 54.2 1.0 CD A:GLU331 3.3 52.4 1.0 CG A:GLU331 3.8 46.3 1.0 O A:HOH696 4.1 63.3 1.0 OE1 A:GLU331 4.3 56.6 1.0 CB A:ASP327 4.4 43.5 1.0 NZ A:LYS334 4.5 65.0 1.0 O A:ASP327 4.7 41.9 1.0 O A:PRO321 4.7 43.8 1.0 OD2 A:ASP323 5.0 53.4 1.0

B.Amaral, A.Capacci, T.Anderson, C.Tezer, B.Bajrami, M.Lulla, B.Lucas, J.V.Chodaparambil, D.Marcotte, P.R.Kumar, P.Murugan, K.Spilker, M.Cullivan, T.Wang, A.C.Peterson, I.Enyedy, B.Ma, T.Chen, Z.Yousaf, M.Calhoun, O.Golonzhka, G.M.Dillon, S.Koirala. Elucidation of the GSK3 Alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors. Acs Chem Neurosci V. 14 1080 2023.
ISSN: ESSN 1948-7193
PubMed: 36812145
DOI: 10.1021/ACSCHEMNEURO.2C00476