Magnesium in PDB 1wax: Protein Tyrosine Phosphatase 1B with Active Site Inhibitor

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

The structure of Protein Tyrosine Phosphatase 1B with Active Site Inhibitor, PDB code: 1wax was solved by M.J.Hartshorn, C.W.Murray, A.Cleasby, M.Frederickson, I.J.Tickle, H.Jhoti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.05 / 2.20
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.095, 88.095, 104.497, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 26.6

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

Magnesium binding site 1 out of 1 in the Protein Tyrosine Phosphatase 1B with Active Site 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 Active Site Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1299 b:45.4 occ:1.00 O A:HOH2051 2.0 42.6 1.0 O A:HOH2137 2.3 31.5 1.0 O A:HOH2052 2.5 44.0 1.0 OE2 A:GLU130 2.7 39.9 1.0 CD A:GLU130 3.5 33.1 1.0 OE1 A:GLU129 3.7 34.7 1.0 OE1 A:GLU130 3.8 32.2 1.0 CD A:GLU129 4.5 34.0 1.0 O A:HOH2158 4.6 50.0 1.0 CG A:LYS128 4.7 38.3 1.0 N A:GLU129 4.7 32.4 1.0 CG A:GLU130 4.8 32.4 1.0 CB A:LYS128 4.9 33.1 1.0 OE2 A:GLU129 5.0 31.8 1.0

M.J.Hartshorn, C.W.Murray, A.Cleasby, M.Frederickson, I.J.Tickle, H.Jhoti. Fragment-Based Lead Discovery Using X-Ray Crystallography J.Med.Chem. V. 48 403 2005.
ISSN: ISSN 0022-2623
PubMed: 15658854
DOI: 10.1021/JM0495778