Magnesium in PDB 3pmz: Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine

The structure of Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine, PDB code: 3pmz was solved by T.T.Talley, M.Harel, J.G.Yamauchi, Z.Radic, S.Hansen, T.Huxford, P.W.Taylor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	114.71 / 2.44
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	142.737, 194.042, 101.615, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 29.4

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Magnesium atom in the Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine (pdb code 3pmz). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 16 binding sites of Magnesium where determined in the Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine, PDB code: 3pmz:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 16 in the Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine


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 the Complex of Acetylcholine Binding Protein and D-Tubocurarine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg220 b:43.8 occ:1.00 OE2 A:GLU153 3.5 37.6 1.0 NH2 E:ARG79 3.6 14.3 1.0 OG A:SER150 3.7 32.5 1.0 NH1 E:ARG79 3.7 21.1 1.0 CZ E:ARG79 4.2 20.3 1.0 OE1 A:GLU153 4.2 35.1 1.0 CD A:GLU153 4.3 34.7 1.0 OE2 A:GLU193 4.3 46.8 1.0 CG A:GLU193 4.4 40.9 1.0 OD1 E:ASP77 4.4 36.6 1.0 CD A:GLU193 4.4 43.5 1.0 CB A:SER150 4.5 29.6 1.0 NZ A:LYS25 4.7 52.7 1.0 CB A:GLU193 4.9 38.6 1.0

Magnesium binding site 2 out of 16 in the Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine


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 the Complex of Acetylcholine Binding Protein and D-Tubocurarine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg221 b:43.4 occ:1.00 MG B:MG221 2.7 53.0 1.0 NH2 A:ARG79 3.1 42.4 1.0 OE2 B:GLU153 3.5 46.9 1.0 OD2 A:ASP77 3.6 45.5 1.0 NH1 A:ARG79 3.7 42.8 1.0 CZ A:ARG79 3.8 41.7 1.0 OD1 A:ASP77 4.0 41.3 1.0 CG A:ASP77 4.2 38.4 1.0 CD B:GLU153 4.5 43.4 1.0 OE1 B:GLU153 4.8 45.7 1.0

Magnesium binding site 3 out of 16 in the Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg220 b:44.9 occ:1.00 MG C:MG220 2.7 40.0 1.0 NH2 B:ARG79 2.9 39.5 1.0 NH1 B:ARG79 3.0 41.5 1.0 CZ B:ARG79 3.4 39.5 1.0 OD1 B:ASP77 3.9 37.1 1.0 OD2 B:ASP77 4.0 44.1 1.0 OE1 C:GLU153 4.1 45.5 1.0 OE2 C:GLU153 4.2 46.2 1.0 CG B:ASP77 4.3 35.7 1.0 CD C:GLU153 4.5 43.9 1.0 NE B:ARG79 4.7 38.8 1.0

Magnesium binding site 4 out of 16 in the Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg221 b:53.0 occ:1.00 OG B:SER150 2.5 34.9 1.0 MG A:MG221 2.7 43.4 1.0 OE2 B:GLU153 3.0 46.9 1.0 CB B:SER150 3.0 33.9 1.0 CG B:GLU193 3.4 55.5 1.0 NH1 A:ARG79 3.6 42.8 1.0 OE1 B:GLU153 3.7 45.7 1.0 CD B:GLU153 3.8 43.4 1.0 CD B:GLU193 4.1 59.1 1.0 CB B:GLU193 4.2 53.7 1.0 CA B:SER150 4.2 32.9 1.0 CB B:PHE152 4.2 36.7 1.0 N B:SER150 4.2 31.9 1.0 CD2 B:PHE152 4.2 40.2 1.0 OE1 B:GLU193 4.3 61.1 1.0 NH2 A:ARG79 4.5 42.4 1.0 CZ A:ARG79 4.5 41.7 1.0 CG B:PHE152 4.7 38.4 1.0 C B:SER150 4.9 32.8 1.0 OE2 B:GLU193 5.0 61.1 1.0

Magnesium binding site 5 out of 16 in the Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg220 b:40.0 occ:1.00 MG B:MG220 2.7 44.9 1.0 CG C:GLU193 3.2 56.6 1.0 OG C:SER150 3.2 31.1 1.0 OE2 C:GLU153 3.5 46.2 1.0 CD C:GLU193 3.7 61.2 1.0 CB C:SER150 3.8 29.7 1.0 CB C:GLU193 3.9 54.0 1.0 CD2 C:PHE152 4.0 40.3 1.0 OE1 C:GLU193 4.1 63.5 1.0 OE1 C:GLU153 4.3 45.5 1.0 CD C:GLU153 4.3 43.9 1.0 OE2 C:GLU193 4.4 63.9 1.0 CB C:PHE152 4.4 35.5 1.0 NH1 B:ARG79 4.6 41.5 1.0 NZ C:LYS25 4.7 56.8 1.0 CG C:PHE152 4.7 37.2 1.0 CE2 C:PHE152 4.9 43.0 1.0

Magnesium binding site 6 out of 16 in the Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg220 b:49.3 occ:1.00 MG D:MG221 2.6 57.5 1.0 OE1 D:GLU193 2.6 56.5 1.0 NH2 C:ARG79 3.7 26.6 1.0 CD D:GLU193 3.7 53.6 1.0 NH1 C:ARG79 3.9 30.1 1.0 OD2 C:ASP77 4.0 37.4 1.0 CZ C:ARG79 4.3 27.6 1.0 OE2 D:GLU193 4.5 53.0 1.0 OE1 D:GLU153 4.5 32.8 1.0 CG D:GLU193 4.6 48.7 1.0 CG C:ASP77 4.8 30.6 1.0 OH D:TYR195 4.9 43.8 1.0 OD1 C:ASP77 4.9 34.0 1.0

Magnesium binding site 7 out of 16 in the Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg221 b:57.5 occ:1.00 MG D:MG220 2.6 49.3 1.0 OE1 D:GLU153 2.8 32.8 1.0 OG D:SER150 3.1 23.7 1.0 OE1 D:GLU193 3.4 56.5 1.0 CD D:GLU153 3.6 32.0 1.0 CB D:SER150 3.6 23.9 1.0 OE2 D:GLU153 3.7 33.3 1.0 CD D:GLU193 3.9 53.6 1.0 CG D:GLU193 4.0 48.7 1.0 NH2 C:ARG79 4.1 26.6 1.0 CD1 D:PHE152 4.2 37.3 1.0 CB D:PHE152 4.2 30.7 1.0 CB D:GLU193 4.2 45.4 1.0 NH1 C:ARG79 4.4 30.1 1.0 CZ C:ARG79 4.7 27.6 1.0 CG D:PHE152 4.8 34.3 1.0 OE2 D:GLU193 4.8 53.0 1.0 CA D:SER150 4.9 23.0 1.0 N D:SER150 4.9 23.2 1.0 CG D:GLU153 5.0 27.8 1.0

Magnesium binding site 8 out of 16 in the Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg222 b:48.9 occ:1.00 NZ E:LYS25 2.7 41.7 1.0 MG E:MG221 2.7 45.5 1.0 OD2 D:ASP77 2.9 35.7 1.0 NH2 D:ARG79 3.7 27.3 1.0 CG D:ASP77 3.8 26.6 1.0 NH1 D:ARG79 4.0 25.9 1.0 OD1 D:ASP77 4.0 31.0 1.0 CE E:LYS25 4.0 43.1 1.0 OE2 E:GLU153 4.2 31.4 1.0 CZ D:ARG79 4.3 26.1 1.0 CG E:GLU193 4.6 34.8 1.0

Magnesium binding site 9 out of 16 in the Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg221 b:45.5 occ:1.00 OG E:SER150 2.5 25.2 1.0 MG D:MG222 2.7 48.9 1.0 OE2 E:GLU153 3.0 31.4 1.0 OE1 E:GLU153 3.3 24.8 1.0 CB E:SER150 3.5 21.6 1.0 NH1 D:ARG79 3.5 25.9 1.0 CD E:GLU153 3.5 25.9 1.0 CG E:GLU193 3.5 34.8 1.0 NZ E:LYS25 3.9 41.7 1.0 CB E:GLU193 4.0 29.3 1.0 CD2 E:PHE152 4.2 19.2 1.0 NH2 D:ARG79 4.2 27.3 1.0 CZ D:ARG79 4.3 26.1 1.0 N E:SER150 4.4 20.6 1.0 CA E:SER150 4.6 20.3 1.0 CB E:PHE152 4.6 23.5 1.0 CD E:GLU193 4.6 42.5 1.0 CE E:LYS25 4.7 43.1 1.0 OE2 E:GLU193 4.8 42.7 1.0 CG E:PHE152 4.9 21.9 1.0

Magnesium binding site 10 out of 16 in the Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Crystal Structure of the Complex of Acetylcholine Binding Protein and D-Tubocurarine within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg222 b:36.7 occ:1.00 OG E:SER189 3.2 16.9 1.0 N E:SER189 3.6 17.7 1.0 CB E:SER189 3.6 18.2 1.0 CA E:SER189 4.2 18.8 1.0 C E:TYR188 4.5 18.1 1.0 CA E:TYR188 4.6 18.5 1.0 O E:HIS187 4.9 19.7 1.0

T.T.Talley, M.Harel, J.G.Yamauchi, Z.Radic, S.Hansen, T.Huxford, P.W.Taylor. The Curare Alkaloids: Analyzing the Poses of Complexes with the Acetylcholine Binding Protein in Relation to Structure and Binding Energies To Be Published.