Magnesium in PDB 4zk4: Crystal Structure of A Chimeric Acetylcholine Binding Protein From Aplysia Californica (Ac-Achbp) Containing Loop C From the Human Alpha 3 Nicotinic Acetylcholine Receptor in Complex with 7-(5-Isopropoxy- Pyridin-3-Yl)-1-Methyl-1,7-Diaza-Spiro[4.4]Nonane

The structure of Crystal Structure of A Chimeric Acetylcholine Binding Protein From Aplysia Californica (Ac-Achbp) Containing Loop C From the Human Alpha 3 Nicotinic Acetylcholine Receptor in Complex with 7-(5-Isopropoxy- Pyridin-3-Yl)-1-Methyl-1,7-Diaza-Spiro[4.4]Nonane, PDB code: 4zk4 was solved by J.Bobango, J.Wu, T.T.Talley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.14 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	70.662, 78.205, 120.465, 90.00, 94.97, 90.00
R / Rfree (%)	18.1 / 21.3

The binding sites of Magnesium atom in the Crystal Structure of A Chimeric Acetylcholine Binding Protein From Aplysia Californica (Ac-Achbp) Containing Loop C From the Human Alpha 3 Nicotinic Acetylcholine Receptor in Complex with 7-(5-Isopropoxy- Pyridin-3-Yl)-1-Methyl-1,7-Diaza-Spiro[4.4]Nonane (pdb code 4zk4). 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 A Chimeric Acetylcholine Binding Protein From Aplysia Californica (Ac-Achbp) Containing Loop C From the Human Alpha 3 Nicotinic Acetylcholine Receptor in Complex with 7-(5-Isopropoxy- Pyridin-3-Yl)-1-Methyl-1,7-Diaza-Spiro[4.4]Nonane, PDB code: 4zk4:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A Chimeric Acetylcholine Binding Protein From Aplysia Californica (Ac-Achbp) Containing Loop C From the Human Alpha 3 Nicotinic Acetylcholine Receptor in Complex with 7-(5-Isopropoxy- Pyridin-3-Yl)-1-Methyl-1,7-Diaza-Spiro[4.4]Nonane


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 A Chimeric Acetylcholine Binding Protein From Aplysia Californica (Ac-Achbp) Containing Loop C From the Human Alpha 3 Nicotinic Acetylcholine Receptor in Complex with 7-(5-Isopropoxy- Pyridin-3-Yl)-1-Methyl-1,7-Diaza-Spiro[4.4]Nonane within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:29.5 occ:1.00 NE2 A:HIS1 1.9 44.9 1.0 OD2 A:ASP-3 2.0 38.1 1.0 CG A:ASP-3 2.7 43.1 1.0 CD2 A:HIS1 2.7 39.2 1.0 OD1 A:ASP-3 2.7 56.2 1.0 HD2 A:HIS1 2.9 47.0 1.0 CE1 A:HIS1 2.9 42.0 1.0 HE1 A:HIS1 3.2 50.4 1.0 CG A:HIS1 3.9 39.6 1.0 ND1 A:HIS1 4.0 41.9 1.0 CB A:ASP-3 4.2 55.3 1.0 HB3 A:ASP-3 4.4 66.4 1.0 O A:ASP-3 4.6 50.1 1.0 HB2 A:ASP-3 4.7 66.4 1.0 HD1 A:HIS1 4.8 50.3 1.0 C A:ASP-3 4.9 49.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Chimeric Acetylcholine Binding Protein From Aplysia Californica (Ac-Achbp) Containing Loop C From the Human Alpha 3 Nicotinic Acetylcholine Receptor in Complex with 7-(5-Isopropoxy- Pyridin-3-Yl)-1-Methyl-1,7-Diaza-Spiro[4.4]Nonane


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 A Chimeric Acetylcholine Binding Protein From Aplysia Californica (Ac-Achbp) Containing Loop C From the Human Alpha 3 Nicotinic Acetylcholine Receptor in Complex with 7-(5-Isopropoxy- Pyridin-3-Yl)-1-Methyl-1,7-Diaza-Spiro[4.4]Nonane within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg302 b:23.8 occ:1.00 OD2 E:ASP-3 1.8 35.9 1.0 NE2 E:HIS1 2.2 42.1 1.0 OD1 E:ASP-3 2.2 43.9 1.0 CG E:ASP-3 2.2 43.0 1.0 CD2 E:HIS1 3.1 37.4 1.0 HD2 E:HIS1 3.2 44.8 1.0 CE1 E:HIS1 3.2 48.2 1.0 HE1 E:HIS1 3.4 57.8 1.0 CB E:ASP-3 3.8 42.4 1.0 HB3 E:ASP-3 4.1 50.9 1.0 HB2 E:ASP-3 4.2 50.9 1.0 CG E:HIS1 4.3 44.0 1.0 ND1 E:HIS1 4.3 46.5 1.0 HA E:ASP-3 4.5 54.3 1.0 CA E:ASP-3 4.7 45.3 1.0 HE1 E:TYR-7 4.7 72.5 1.0 O E:ASP-3 4.8 38.3 1.0 C E:ASP-3 4.9 44.3 1.0

J.Bobango, J.Wu, T.T.Talley. Crystal Structure of A Chimeric Acetylcholine Binding Protein From Aplysia Californica (Ac-Achbp) Containing Loop C From the Human Alpha 3 Nicotinic Acetylcholine Receptor in Complex with 7-(5-Isopropoxy-Pyridin-3-Yl)-1-Methyl-1, 7-Diaza-Spiro[4.4]Nonane. To Be Published.