Magnesium in PDB 6xe8: Crystal Structure of the PTP1B Yoph Wpd Loop Chimera 3 Apo Form

All present enzymatic activity of Crystal Structure of the PTP1B Yoph Wpd Loop Chimera 3 Apo Form:
3.1.3.48;

The structure of Crystal Structure of the PTP1B Yoph Wpd Loop Chimera 3 Apo Form, PDB code: 6xe8 was solved by K.J.Olsen, R.Shen, S.J.Johnson, A.C.Hengge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.98 / 1.95
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	87.955, 87.955, 102.606, 90, 90, 120
R / Rfree (%)	16.3 / 18.5

The binding sites of Magnesium atom in the Crystal Structure of the PTP1B Yoph Wpd Loop Chimera 3 Apo Form (pdb code 6xe8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the PTP1B Yoph Wpd Loop Chimera 3 Apo Form, PDB code: 6xe8:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the PTP1B Yoph Wpd Loop Chimera 3 Apo Form


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 Yoph Wpd Loop Chimera 3 Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:70.0 occ:1.00 OE1 A:GLU159 2.5 55.6 1.0 OE1 A:GLU161 2.8 62.6 1.0 O A:HOH512 2.9 42.1 1.0 CB A:GLU161 3.4 43.8 1.0 CD A:GLU159 3.5 57.4 1.0 CD A:GLU161 3.7 64.3 1.0 CG A:GLU159 3.8 39.8 1.0 CE A:LYS141 3.8 56.2 1.0 CG2 A:THR168 4.1 48.8 1.0 CG A:GLU161 4.1 51.5 1.0 OG1 A:THR143 4.5 40.5 1.0 NZ A:LYS141 4.5 54.8 1.0 CA A:GLU161 4.6 43.9 1.0 OE2 A:GLU159 4.6 56.4 1.0 CB A:GLU159 4.6 35.2 1.0 N A:GLU161 4.7 41.3 1.0 OE2 A:GLU161 4.7 70.7 1.0 CB A:THR168 4.9 50.4 1.0 O A:GLU159 4.9 38.6 1.0 CG A:LYS141 4.9 42.5 1.0 CD A:LYS141 5.0 53.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the PTP1B Yoph Wpd Loop Chimera 3 Apo Form


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the PTP1B Yoph Wpd Loop Chimera 3 Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:71.4 occ:1.00 OE1 A:GLU167 2.3 74.4 1.0 OG1 A:THR165 2.7 62.8 1.0 CB A:GLU167 3.2 60.0 1.0 CD A:GLU167 3.4 73.6 1.0 CB A:THR165 3.4 71.3 1.0 CZ2 A:TRP100 3.7 49.9 1.0 CG2 A:THR165 3.7 68.1 1.0 CG A:GLU167 3.9 67.3 1.0 OE2 A:GLU167 4.5 66.1 1.0 CA A:GLU167 4.5 55.0 1.0 CH2 A:TRP100 4.5 43.9 1.0 CE2 A:TRP100 4.6 47.2 1.0 N A:GLU167 4.6 61.2 1.0 CB A:ASN162 4.7 60.6 1.0 NE1 A:TRP100 4.7 45.8 1.0 ND2 A:ASN162 4.8 59.9 1.0 CG A:ASN162 4.8 61.6 1.0 CA A:THR165 4.8 71.9 1.0

R.Shen, K.J.Olsen, S.J.Johnson, A.C.Hengge. Insights From PTP1B Yoph Chimeras Into the Importance of Wpd-Loop Sequence For Activity and Structure in Protein Tyrosine Phosphatases To Be Published.