Magnesium in PDB 7klx: Protein Tyrosine Phosphatase 1B with Inhibitor

All present enzymatic activity of Protein Tyrosine Phosphatase 1B with Inhibitor:
3.1.3.48;

The structure of Protein Tyrosine Phosphatase 1B with Inhibitor, PDB code: 7klx was solved by K.P.Battaile, Y.Chirgadze, M.Ruzanov, V.Romanov, K.Lam, R.Gordon, A.Lin, R.Lam, E.Pai, N.Chirgadze, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	76.47 / 1.84
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.3, 88.3, 104.791, 90, 90, 120
R / Rfree (%)	19.6 / 20.5

The binding sites of Magnesium atom in the Protein Tyrosine Phosphatase 1B with Inhibitor (pdb code 7klx). 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 Protein Tyrosine Phosphatase 1B with Inhibitor, PDB code: 7klx:

Magnesium binding site 1 out of 1 in the Protein Tyrosine Phosphatase 1B with Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Protein Tyrosine Phosphatase 1B with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:59.0 occ:1.00 O A:HOH508 1.9 52.3 1.0 O A:HOH564 2.4 53.7 1.0 OE1 A:GLU130 4.2 40.4 1.0 OE1 A:GLU129 4.3 35.2 1.0 OE2 A:GLU130 4.5 46.3 1.0 CD A:GLU130 4.8 43.9 1.0

Y.N.Chirgadze, K.P.Battaile, I.V.Likhachev, N.K.Balabaev, R.D.Gordon, V.Romanov, A.Lin, R.Karisch, R.Lam, M.Ruzanov, E.V.Brazhnikov, E.F.Pai, B.G.Neel, N.Y.Chirgadze. Signal Transfer in Human Protein Tyrosine Phosphatase PTP1B From Allosteric Inhibitor P00058. J.Biomol.Struct.Dyn. 1 2021.
ISSN: ESSN 1538-0254
PubMed: 34705594
DOI: 10.1080/07391102.2021.1994879