Magnesium in PDB 3sh1: Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr

The structure of Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr, PDB code: 3sh1 was solved by A.Nemecz, P.W.Taylor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.05 / 2.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	85.793, 140.183, 136.806, 90.00, 105.20, 90.00
R / Rfree (%)	21.3 / 25.8

The binding sites of Magnesium atom in the Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr (pdb code 3sh1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr, PDB code: 3sh1:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg222 b:37.9 occ:1.00 NE2 A:HIS1 1.9 65.6 1.0 NE2 G:HIS1 2.0 66.2 1.0 OD2 G:ASP-3 2.0 77.9 1.0 OD2 A:ASP-3 2.1 80.7 1.0 OD1 G:ASP-3 2.2 72.9 1.0 OD1 A:ASP-3 2.4 73.7 1.0 CG G:ASP-3 2.5 78.6 1.0 CG A:ASP-3 2.6 81.2 1.0 CD2 A:HIS1 2.8 73.7 1.0 CE1 G:HIS1 2.9 69.8 1.0 CD2 G:HIS1 3.0 67.3 1.0 CE1 A:HIS1 3.0 80.2 1.0 CB G:ASP-3 4.0 85.4 1.0 CG A:HIS1 4.0 76.9 1.0 ND1 G:HIS1 4.0 68.3 1.0 ND1 A:HIS1 4.0 76.7 1.0 CG G:HIS1 4.1 66.0 1.0 CB A:ASP-3 4.1 76.5 1.0 O G:ASP-3 4.5 76.6 1.0 CA G:ASP-3 4.8 85.2 1.0 C G:ASP-3 4.9 79.8 1.0 CA A:ASP-3 5.0 81.5 1.0 O A:ASP-3 5.0 71.8 1.0

Magnesium binding site 2 out of 5 in the Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg222 b:47.6 occ:1.00 NE2 F:HIS1 2.0 64.5 1.0 NE2 B:HIS1 2.0 63.2 1.0 OD2 F:ASP-3 2.2 77.9 1.0 OD1 B:ASP-3 2.3 81.8 1.0 OD2 B:ASP-3 2.3 84.6 1.0 OD1 F:ASP-3 2.4 78.7 1.0 CG B:ASP-3 2.5 84.2 1.0 CG F:ASP-3 2.6 83.8 1.0 CD2 B:HIS1 2.8 70.4 1.0 CE1 F:HIS1 2.9 76.0 1.0 CD2 F:HIS1 3.0 82.2 1.0 CE1 B:HIS1 3.0 69.4 1.0 CB B:ASP-3 3.9 85.9 1.0 CG B:HIS1 4.0 70.3 1.0 ND1 F:HIS1 4.0 75.0 1.0 ND1 B:HIS1 4.0 73.2 1.0 CB F:ASP-3 4.1 91.0 1.0 CG F:HIS1 4.1 76.8 1.0 O B:HOH312 4.4 69.2 1.0 O B:ASP-3 4.6 81.2 1.0 CA B:ASP-3 4.8 88.4 1.0 C B:ASP-3 4.8 87.4 1.0 O F:ASP-3 4.9 79.1 1.0

Magnesium binding site 3 out of 5 in the Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg222 b:57.0 occ:1.00 NE2 J:HIS1 2.0 77.3 1.0 OD2 J:ASP-3 2.1 91.5 1.0 NE2 C:HIS1 2.1 81.7 1.0 OD2 C:ASP-3 2.3 94.9 1.0 OD1 C:ASP-3 2.3 85.6 1.0 OD1 J:ASP-3 2.6 84.1 1.0 CG J:ASP-3 2.6 92.8 1.0 CG C:ASP-3 2.6 92.9 1.0 CD2 J:HIS1 2.7 79.2 1.0 CE1 C:HIS1 2.9 87.5 1.0 CE1 J:HIS1 3.1 78.9 1.0 CD2 C:HIS1 3.3 91.1 1.0 CG J:HIS1 3.8 69.9 1.0 ND1 J:HIS1 4.0 68.7 1.0 CB J:ASP-3 4.0 0.1 1.0 ND1 C:HIS1 4.1 79.6 1.0 CB C:ASP-3 4.1 93.8 1.0 CG C:HIS1 4.3 85.2 1.0 O J:ASP-3 4.5 82.1 1.0 O J:HOH310 4.5 84.7 1.0 CA J:ASP-3 4.8 92.7 1.0 C J:ASP-3 4.8 87.5 1.0 CA C:ASP-3 5.0 89.8 1.0

Magnesium binding site 4 out of 5 in the Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg222 b:57.7 occ:1.00 NE2 E:HIS1 2.1 68.8 1.0 NE2 H:HIS1 2.1 82.0 1.0 OD2 H:ASP-3 2.3 91.3 1.0 OD1 E:ASP-3 2.4 85.2 1.0 OD2 E:ASP-3 2.5 78.2 1.0 CG H:ASP-3 2.6 91.1 1.0 CG E:ASP-3 2.8 82.2 1.0 CD2 H:HIS1 2.8 84.1 1.0 OD1 H:ASP-3 2.8 88.4 1.0 CE1 E:HIS1 3.1 73.8 1.0 CD2 E:HIS1 3.1 78.3 1.0 CE1 H:HIS1 3.3 79.3 1.0 CB H:ASP-3 3.7 96.1 1.0 CG H:HIS1 4.0 79.2 1.0 ND1 E:HIS1 4.2 64.4 1.0 ND1 H:HIS1 4.2 73.7 1.0 CG E:HIS1 4.3 79.3 1.0 CB E:ASP-3 4.3 94.2 1.0 O H:ASP-3 4.4 85.9 1.0 C H:ASP-3 4.5 94.8 1.0 CA H:ASP-3 4.6 98.1 1.0 O E:ASP-3 4.9 80.8 1.0

Magnesium binding site 5 out of 5 in the Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Ac-Achbp Ligand Binding Domain Mutated to Human Alpha-7 Nachr within 5.0Å range: probe atom residue distance (Å) B Occ I:Mg222 b:34.1 occ:1.00 NE2 D:HIS1 1.9 65.6 1.0 NE2 I:HIS1 1.9 60.0 1.0 OD2 I:ASP-3 2.1 74.1 1.0 OD1 D:ASP-3 2.1 69.7 1.0 CE1 I:HIS1 2.3 61.0 1.0 OD1 I:ASP-3 2.5 66.5 1.0 CE1 D:HIS1 2.5 66.1 1.0 CG I:ASP-3 2.6 75.9 1.0 OD2 D:ASP-3 2.7 71.5 1.0 CG D:ASP-3 2.7 76.5 1.0 CD2 D:HIS1 3.0 71.1 1.0 CD2 I:HIS1 3.2 77.2 1.0 ND1 I:HIS1 3.5 74.6 1.0 ND1 D:HIS1 3.7 74.7 1.0 CG D:HIS1 3.9 72.2 1.0 CG I:HIS1 3.9 74.4 1.0 CB I:ASP-3 4.1 78.5 1.0 CB D:ASP-3 4.2 88.6 1.0 O D:ASP-3 4.8 82.5 1.0 O I:ASP-3 4.9 77.6 1.0 C D:ASP-3 5.0 82.5 1.0

A.Nemecz, P.Taylor. Creating An Alpha-7 Nicotinic Acetylcholine Recognition Domain From the Acetylcholine Binding Protein: Crystallographic and Ligand Selectivity Analyses J.Biol.Chem. V. 286 42555 2011.
ISSN: ISSN 0021-9258
PubMed: 22009746
DOI: 10.1074/JBC.M111.286583