Magnesium in PDB 2gqp: N-Domain of GRP94 in Complex with the Novel Ligand N-Propyl Carboxyamido Adenosine

The structure of N-Domain of GRP94 in Complex with the Novel Ligand N-Propyl Carboxyamido Adenosine, PDB code: 2gqp was solved by R.M.Immormino, D.T.Gewirth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.78 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.690, 84.840, 95.740, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 23.5

The binding sites of Magnesium atom in the N-Domain of GRP94 in Complex with the Novel Ligand N-Propyl Carboxyamido Adenosine (pdb code 2gqp). 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 N-Domain of GRP94 in Complex with the Novel Ligand N-Propyl Carboxyamido Adenosine, PDB code: 2gqp:

Magnesium binding site 1 out of 1 in the N-Domain of GRP94 in Complex with the Novel Ligand N-Propyl Carboxyamido Adenosine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of N-Domain of GRP94 in Complex with the Novel Ligand N-Propyl Carboxyamido Adenosine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg600 b:31.1 occ:1.00 O A:HOH803 2.0 31.0 1.0 O A:HOH805 2.1 32.0 1.0 O A:HOH802 2.1 32.8 1.0 O A:HOH804 2.1 31.7 1.0 O A:HOH807 2.1 32.7 1.0 O A:HOH806 2.1 32.4 1.0 O A:HOH848 3.8 42.1 1.0 OD2 A:ASP262 3.9 37.0 1.0 O A:HOH992 4.0 46.6 1.0 OD1 A:ASP257 4.0 32.0 1.0 OG1 A:THR263 4.0 27.3 1.0 O A:HOH919 4.1 42.7 1.0 OD2 A:ASP257 4.2 32.0 1.0 O A:HOH931 4.4 38.9 1.0 O A:HOH874 4.4 33.6 1.0 CG A:ASP257 4.5 30.5 1.0 O A:HOH996 4.8 45.3 1.0 CG A:ASP262 4.9 33.7 1.0

R.M.Immormino, D.T.Gewirth. Adensine Scaffold Inhibitors of GRP94 To Be Published.