Magnesium in PDB 9cyr: Crystal Structure of D245G Mutant Human PTP1B (PTPN1) at Room Temperature (298 K)

All present enzymatic activity of Crystal Structure of D245G Mutant Human PTP1B (PTPN1) at Room Temperature (298 K):
3.1.3.48;

The structure of Crystal Structure of D245G Mutant Human PTP1B (PTPN1) at Room Temperature (298 K), PDB code: 9cyr was solved by A.Ebrahim, A.Perdikari, V.A.Woods, K.Lawler, R.Bounds, N.I.Singh, T.Mehlman, B.T.Riley, S.Sharma, J.W.Morris, J.M.Keogh, E.Henning, M.Smith, I.S.Farooqi, D.A.Keedy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.79 / 1.65
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	89.579, 89.579, 106.234, 90, 90, 120
R / Rfree (%)	16.7 / 18.6

The binding sites of Magnesium atom in the Crystal Structure of D245G Mutant Human PTP1B (PTPN1) at Room Temperature (298 K) (pdb code 9cyr). 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 D245G Mutant Human PTP1B (PTPN1) at Room Temperature (298 K), PDB code: 9cyr:

Magnesium binding site 1 out of 1 in the Crystal Structure of D245G Mutant Human PTP1B (PTPN1) at Room Temperature (298 K)


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 D245G Mutant Human PTP1B (PTPN1) at Room Temperature (298 K) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:72.2 occ:1.00 O A:HOH639 2.0 72.4 1.0 O A:HOH507 2.2 49.3 1.0 O A:HOH506 2.4 70.8 1.0 OE1 A:GLU130 4.1 38.6 1.0 OE2 A:GLU130 4.3 45.8 1.0 O A:HOH581 4.4 62.1 1.0 OE1 A:GLU129 4.4 33.1 1.0 O A:HOH584 4.5 48.3 1.0 HG2 A:LYS128 4.6 66.0 1.0 CD A:GLU130 4.7 41.3 1.0 HZ2 A:LYS128 4.8 116.8 1.0 HB3 A:LYS128 4.8 46.4 1.0

A.Perdikari, V.Woods, A.Ebrahim, K.Lawler, R.Bounds, N.Singh, T.Mehlman, B.Riley, S.Sharma, J.Morris, J.Keogh, E.Henning, M.Smith, I.Farooqi, D.Keedy. Structures of Human PTP1B Variants Reveal Allosteric Sites to Target For Weight Loss Therapy Biorxiv 2024.
ISSN: ISSN 2692-8205
DOI: 10.1101/2024.08.05.603709