Magnesium in PDB 4bjo: Nitrate in the Active Site of PTP1B Is A Putative Mimetic of the Transition State

All present enzymatic activity of Nitrate in the Active Site of PTP1B Is A Putative Mimetic of the Transition State:
3.1.3.48;

The structure of Nitrate in the Active Site of PTP1B Is A Putative Mimetic of the Transition State, PDB code: 4bjo was solved by P.W.Kenny, J.Newman, T.S.Peat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	68.60 / 2.06
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	161.620, 66.765, 68.771, 90.00, 95.01, 90.00
R / Rfree (%)	21.529 / 23.932

The structure of Nitrate in the Active Site of PTP1B Is A Putative Mimetic of the Transition State also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Magnesium atom in the Nitrate in the Active Site of PTP1B Is A Putative Mimetic of the Transition State (pdb code 4bjo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Nitrate in the Active Site of PTP1B Is A Putative Mimetic of the Transition State, PDB code: 4bjo:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Nitrate in the Active Site of PTP1B Is A Putative Mimetic of the Transition State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Nitrate in the Active Site of PTP1B Is A Putative Mimetic of the Transition State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1283 b:50.5 occ:1.00 O A:HOH2069 2.2 44.5 1.0 O A:HOH2071 2.2 44.5 1.0 O A:HOH2051 2.2 39.1 1.0 O A:HOH2070 2.2 52.9 1.0 OE1 A:GLU130 3.6 44.5 1.0 OE2 A:GLU130 3.6 37.7 1.0 CD A:GLU130 4.0 37.6 1.0 OE1 A:GLU129 4.3 35.2 1.0 CG A:LYS128 5.0 50.7 1.0

Magnesium binding site 2 out of 2 in the Nitrate in the Active Site of PTP1B Is A Putative Mimetic of the Transition State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Nitrate in the Active Site of PTP1B Is A Putative Mimetic of the Transition State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1286 b:72.4 occ:1.00 O A:HIS54 3.6 39.3 1.0 ND1 A:HIS54 4.1 40.2 1.0 C A:HIS54 4.5 42.0 1.0 CB A:HIS54 4.6 38.8 1.0 O A:HOH2015 4.8 42.5 1.0 CG A:HIS54 4.8 36.3 1.0 CA A:HIS54 5.0 41.2 1.0

P.W.Kenny, J.Newman, T.S.Peat. Nitrate in the Active Site of Protein Tyrosine Phosphatase 1B Is A Putative Mimetic of the Transition State. Acta Crystallogr.,Sect.D V. 70 565 2014.
ISSN: ISSN 0907-4449
PubMed: 24531490
DOI: 10.1107/S1399004713031052