Magnesium in PDB 8u1e: Apo Protein Tyrosine Phosphatase 1B (PTP1B) at High Resolution (1.43 A) in Space Group P43212 with Two Distinctly Ordered Chains

The structure of Apo Protein Tyrosine Phosphatase 1B (PTP1B) at High Resolution (1.43 A) in Space Group P43212 with Two Distinctly Ordered Chains, PDB code: 8u1e was solved by S.Sharma, S.T.Mehlman, A.D.Keedy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.59 / 1.43
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	88.412, 88.412, 163.001, 90, 90, 90
R / Rfree (%)	15 / 20.3

The binding sites of Magnesium atom in the Apo Protein Tyrosine Phosphatase 1B (PTP1B) at High Resolution (1.43 A) in Space Group P43212 with Two Distinctly Ordered Chains (pdb code 8u1e). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Apo Protein Tyrosine Phosphatase 1B (PTP1B) at High Resolution (1.43 A) in Space Group P43212 with Two Distinctly Ordered Chains, PDB code: 8u1e:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Apo Protein Tyrosine Phosphatase 1B (PTP1B) at High Resolution (1.43 A) in Space Group P43212 with Two Distinctly Ordered Chains


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Apo Protein Tyrosine Phosphatase 1B (PTP1B) at High Resolution (1.43 A) in Space Group P43212 with Two Distinctly Ordered Chains within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:70.2 occ:1.00 O A:HOH516 2.0 51.3 1.0 O A:HOH650 2.1 58.3 1.0 OE2 A:GLU130 3.7 48.5 1.0 OE1 A:GLU130 3.9 37.3 1.0 HG2 A:LYS128 4.0 44.6 1.0 HD3 A:LYS128 4.1 54.9 1.0 CD A:GLU130 4.2 42.4 1.0 HB3 A:LYS128 4.3 40.5 1.0 O A:HOH570 4.4 50.3 1.0 HE2 A:LYS128 4.4 62.5 1.0 OE1 A:GLU129 4.5 34.4 1.0 CG A:LYS128 4.7 37.2 1.0 CD A:LYS128 4.8 45.7 1.0 HA A:LYS128 4.9 36.8 1.0 CB A:LYS128 4.9 33.8 1.0

Magnesium binding site 2 out of 2 in the Apo Protein Tyrosine Phosphatase 1B (PTP1B) at High Resolution (1.43 A) in Space Group P43212 with Two Distinctly Ordered Chains


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Apo Protein Tyrosine Phosphatase 1B (PTP1B) at High Resolution (1.43 A) in Space Group P43212 with Two Distinctly Ordered Chains within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:41.5 occ:1.00 O B:HOH602 2.0 53.4 1.0 O B:HOH827 2.0 44.9 1.0 O B:HOH811 2.0 35.4 1.0 O B:HOH608 2.1 41.2 1.0 O B:HOH782 2.2 51.4 1.0 O B:HOH791 2.4 29.6 1.0 HZ2 B:LYS128 3.7 57.2 1.0 OE2 B:GLU130 3.8 41.7 1.0 OE1 B:GLU130 3.9 36.3 1.0 O B:HOH808 4.1 43.2 1.0 HG2 B:LYS128 4.1 37.8 1.0 HZ3 B:LYS128 4.2 57.2 1.0 CD B:GLU130 4.2 37.1 1.0 NZ B:LYS128 4.4 47.7 1.0 O B:HOH658 4.5 39.3 1.0 HB3 B:LYS128 4.5 31.3 1.0 OE1 B:GLU129 4.6 25.7 1.0 HD3 B:LYS128 4.7 43.0 1.0 HZ1 B:LYS128 4.9 57.2 1.0 CG B:LYS128 4.9 31.5 1.0

S.Sharma, S.T.Mehlman, A.D.Keedy. High-Resolution Double Vision of the Archetypal Protein Tyrosine Phosphatase Biorxiv 2023.
ISSN: ISSN 2692-8205
DOI: 10.1101/2023.09.12.557361