Magnesium in PDB 5l6h: UBA1 in Complex with Ub-ABPA3 Covalent Adduct

All present enzymatic activity of UBA1 in Complex with Ub-ABPA3 Covalent Adduct:
6.2.1.45;

The structure of UBA1 in Complex with Ub-ABPA3 Covalent Adduct, PDB code: 5l6h was solved by M.Misra, H.Schindelin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.30
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.048, 194.098, 230.172, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 21.8

The structure of UBA1 in Complex with Ub-ABPA3 Covalent Adduct also contains other interesting chemical elements:

Chlorine

(Cl)

8 atoms

The binding sites of Magnesium atom in the UBA1 in Complex with Ub-ABPA3 Covalent Adduct (pdb code 5l6h). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the UBA1 in Complex with Ub-ABPA3 Covalent Adduct, PDB code: 5l6h:

Magnesium binding site 1 out of 1 in the UBA1 in Complex with Ub-ABPA3 Covalent Adduct


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of UBA1 in Complex with Ub-ABPA3 Covalent Adduct within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1106 b:45.8 occ:1.00 O C:HOH1214 2.0 39.7 1.0 OD2 C:ASP1008 2.3 48.5 1.0 O C:HOH1269 2.5 45.1 1.0 CG C:ASP1008 3.3 44.3 1.0 OD1 C:ASP1008 3.5 44.0 1.0 O C:HOH1289 4.2 45.3 1.0 OG1 C:THR955 4.3 49.8 1.0 O C:HOH1205 4.6 41.5 1.0 O C:GLY1012 4.7 52.0 1.0 CB C:ASP1008 4.7 41.7 1.0

M.Misra, M.Kuhn, M.Lobel, H.An, A.V.Statsyuk, C.Sotriffer, H.Schindelin. Dissecting the Specificity of Adenosyl Sulfamate Inhibitors Targeting the Ubiquitin-Activating Enzyme. Structure V. 25 1120 2017.
ISSN: ISSN 1878-4186
PubMed: 28578874
DOI: 10.1016/J.STR.2017.05.001