Magnesium in PDB 1nwl: Crystal Structure of the PTP1B Complexed with SP7343-SP7964, A Ptyr Mimetic

All present enzymatic activity of Crystal Structure of the PTP1B Complexed with SP7343-SP7964, A Ptyr Mimetic:
3.1.3.48;

The structure of Crystal Structure of the PTP1B Complexed with SP7343-SP7964, A Ptyr Mimetic, PDB code: 1nwl was solved by D.A.Erlanson, R.S.Mcdowell, M.M.He, M.Randal, R.L.Simmons, J.Kung, A.Waight, S.Hansen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.40
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.721, 88.721, 104.998, 90.00, 90.00, 120.00
R / Rfree (%)	20.8 / 24.5

The binding sites of Magnesium atom in the Crystal Structure of the PTP1B Complexed with SP7343-SP7964, A Ptyr Mimetic (pdb code 1nwl). 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 Structure of the PTP1B Complexed with SP7343-SP7964, A Ptyr Mimetic, PDB code: 1nwl:

Magnesium binding site 1 out of 1 in the Crystal Structure of the PTP1B Complexed with SP7343-SP7964, A Ptyr Mimetic


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the PTP1B Complexed with SP7343-SP7964, A Ptyr Mimetic within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg901 b:54.8 occ:1.00 O A:HOH1062 2.1 48.7 1.0 O A:HOH1074 2.2 54.6 1.0 O A:HOH1072 2.2 55.2 1.0 O A:HOH1069 2.2 55.4 1.0 O A:HOH1073 2.2 55.3 1.0 O A:HOH1070 2.2 55.4 1.0 O A:HOH1071 2.2 55.5 1.0 O A:HOH913 2.2 33.7 1.0 O A:HOH1021 3.0 33.9 1.0 OE2 A:GLU130 4.3 29.1 1.0 OE1 A:GLU129 4.7 25.2 1.0 CD A:GLU130 4.9 28.8 1.0

D.A.Erlanson, R.S.Mcdowell, M.M.He, M.Randal, R.L.Simmons, J.Kung, A.Waight, S.Hansen. Discovery of A New Phosphotyrosine Mimetic For PTP1B Using Breakaway Tethering J.Am.Chem.Soc. V. 125 5602 2003.
ISSN: ISSN 0002-7863
PubMed: 12733877
DOI: 10.1021/JA034440C