Magnesium in PDB 6ra5: Human Tnik in Complex with Compound 9

All present enzymatic activity of Human Tnik in Complex with Compound 9:
2.7.11.1;

The structure of Human Tnik in Complex with Compound 9, PDB code: 6ra5 was solved by J.A.Read, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.80 / 2.90
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	53.793, 53.793, 253.363, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The structure of Human Tnik in Complex with Compound 9 also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Bromine	(Br)	1 atom

The binding sites of Magnesium atom in the Human Tnik in Complex with Compound 9 (pdb code 6ra5). 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 Human Tnik in Complex with Compound 9, PDB code: 6ra5:

Magnesium binding site 1 out of 1 in the Human Tnik in Complex with Compound 9


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human Tnik in Complex with Compound 9 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:0.2 occ:1.00 CB B:THR84 2.6 0.7 1.0 OE2 B:GLU106 2.8 0.0 1.0 O B:ILE82 2.9 99.5 1.0 O B:SER77 3.0 97.7 1.0 O B:HIS79 3.2 0.1 1.0 CG2 B:THR84 3.2 0.9 1.0 N B:THR84 3.3 96.2 1.0 CA B:THR84 3.4 97.0 1.0 OG1 B:THR84 3.5 0.8 1.0 CD B:GLU106 4.0 0.7 1.0 C B:ILE82 4.1 97.7 1.0 C B:ALA83 4.2 98.1 1.0 C B:SER77 4.3 0.3 1.0 C B:HIS79 4.3 0.7 1.0 O B:HIS78 4.4 1.0 1.0 NZ B:LYS168 4.4 0.2 1.0 C B:HIS78 4.5 0.8 1.0 CA B:ALA83 4.6 94.3 1.0 CA B:HIS78 4.6 1.0 1.0 CG B:GLU106 4.7 94.9 1.0 N B:ALA83 4.8 93.7 1.0 N B:HIS79 4.8 97.0 1.0 C B:THR84 4.9 96.5 1.0 N B:HIS78 5.0 0.1 1.0 CA B:ARG80 5.0 98.3 1.0 OE1 B:GLU106 5.0 93.3 1.0

J.A.Read, J.A.Read. N/A N/A.