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Magnesium in PDB 2vev: Crystal Strucutre of Protein Tyrosine Phosphatase 1B in Complex with An Isothiazolidinone-Containing Inhibitor

Enzymatic activity of Crystal Strucutre of Protein Tyrosine Phosphatase 1B in Complex with An Isothiazolidinone-Containing Inhibitor

All present enzymatic activity of Crystal Strucutre of Protein Tyrosine Phosphatase 1B in Complex with An Isothiazolidinone-Containing Inhibitor:
3.1.3.48;

Protein crystallography data

The structure of Crystal Strucutre of Protein Tyrosine Phosphatase 1B in Complex with An Isothiazolidinone-Containing Inhibitor, PDB code: 2vev was solved by B.Douty, B.Wayland, P.J.Ala, M.J.Bower, J.Pruitt, L.Bostrom, M.Wei, R.Klabe, L.Gonneville, R.Wynn, T.C.Burn, P.C.C.Liu, A.P.Combs, E.W.Yue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 66.950, 73.020, 88.290, 90.00, 90.00, 90.00
R / Rfree (%) 20.3 / 23.3

Other elements in 2vev:

The structure of Crystal Strucutre of Protein Tyrosine Phosphatase 1B in Complex with An Isothiazolidinone-Containing Inhibitor also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Strucutre of Protein Tyrosine Phosphatase 1B in Complex with An Isothiazolidinone-Containing Inhibitor (pdb code 2vev). 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 Crystal Strucutre of Protein Tyrosine Phosphatase 1B in Complex with An Isothiazolidinone-Containing Inhibitor, PDB code: 2vev:

Magnesium binding site 1 out of 1 in 2vev

Go back to Magnesium Binding Sites List in 2vev
Magnesium binding site 1 out of 1 in the Crystal Strucutre of Protein Tyrosine Phosphatase 1B in Complex with An Isothiazolidinone-Containing Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Strucutre of Protein Tyrosine Phosphatase 1B in Complex with An Isothiazolidinone-Containing Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1301

b:34.3
occ:1.00
 O A:HOH2349 2.0 33.1 1.0
O A:HOH2351 2.1 32.6 1.0
O A:HOH2348 2.1 36.3 1.0
O A:HOH2350 2.1 32.5 1.0
O A:HOH2353 2.1 34.5 1.0
O A:HOH2352 2.1 35.5 1.0
OE1 A:GLU130 3.9 21.4 1.0
O A:HOH2221 4.1 32.3 1.0
OE2 A:GLU130 4.1 23.6 1.0
O A:HOH2345 4.2 39.5 1.0
O A:HOH2346 4.3 43.5 1.0
OE1 A:GLU129 4.3 17.8 1.0
CD A:GLU130 4.5 22.0 1.0
O A:HOH2347 4.6 40.9 1.0

Reference:

B.Douty, B.Wayland, P.J.Ala, M.J.Bower, J.Pruitt, L.Bostrom, M.Wei, R.Klabe, L.Gonneville, R.Wynn, T.C.Burn, P.C.C.Liu, A.P.Combs, E.W.Yue. Isothiazolidinone Inhibitors of PTP1B Containing Imidazoles and Imidazolines Bioorg.Med.Chem.Lett. V. 18 66 2008.
ISSN: ISSN 0960-894X
PubMed: 18037290
DOI: 10.1016/J.BMCL.2007.11.012
Page generated: Wed Aug 14 05:10:56 2024

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