Magnesium in PDB 2j3d: Native Monoclinic Form of Torpedo Acetylcholinesterase

All present enzymatic activity of Native Monoclinic Form of Torpedo Acetylcholinesterase:
3.1.1.7;

The structure of Native Monoclinic Form of Torpedo Acetylcholinesterase, PDB code: 2j3d was solved by M.Harel, J.L.Sussman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.80 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	128.740, 105.490, 70.600, 90.00, 106.62, 90.00
R / Rfree (%)	21.7 / 26.1

The binding sites of Magnesium atom in the Native Monoclinic Form of Torpedo Acetylcholinesterase (pdb code 2j3d). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Native Monoclinic Form of Torpedo Acetylcholinesterase, PDB code: 2j3d:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the Native Monoclinic Form of Torpedo Acetylcholinesterase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Native Monoclinic Form of Torpedo Acetylcholinesterase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1539 b:11.2 occ:1.00 OE2 A:GLU261 1.9 45.6 1.0 ND1 A:HIS264 2.1 50.8 1.0 CE1 A:HIS264 2.4 51.2 1.0 CD A:GLU261 2.7 46.0 1.0 OE1 A:GLU261 2.8 42.9 1.0 CG A:HIS264 3.0 50.5 1.0 NE2 A:HIS264 3.3 50.6 1.0 CD2 A:HIS264 3.6 50.9 1.0 CB A:HIS264 3.9 46.4 1.0 MG A:MG1542 4.0 40.7 1.0 O A:HOH2047 4.0 40.5 1.0 CG A:GLU261 4.1 46.0 1.0

Magnesium binding site 2 out of 5 in the Native Monoclinic Form of Torpedo Acetylcholinesterase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Native Monoclinic Form of Torpedo Acetylcholinesterase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1540 b:1.0 occ:1.00 OE1 A:GLU139 2.2 33.8 1.0 MG A:MG1543 2.2 6.5 1.0 ND1 A:HIS471 2.2 28.2 1.0 OE2 A:GLU139 2.4 29.0 1.0 CE1 A:HIS471 2.6 30.4 1.0 CD A:GLU139 2.6 31.3 1.0 CG A:HIS471 3.6 30.4 1.0 NE2 A:HIS471 3.9 30.2 1.0 CG A:GLU139 4.1 29.7 1.0 CB A:HIS471 4.3 30.0 1.0 CD2 A:HIS471 4.4 29.9 1.0 O A:HOH2032 4.6 27.0 1.0 CA A:HIS471 4.7 30.0 1.0 CB A:GLU139 4.8 31.5 1.0 CA A:GLU139 4.8 32.3 1.0 OG1 A:THR475 4.9 24.8 1.0

Magnesium binding site 3 out of 5 in the Native Monoclinic Form of Torpedo Acetylcholinesterase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Native Monoclinic Form of Torpedo Acetylcholinesterase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1541 b:13.8 occ:1.00 O A:HOH2078 2.4 12.7 1.0 OD1 A:ASP326 2.5 23.9 1.0 OD2 A:ASP392 2.5 12.1 1.0 OD1 A:ASP389 3.4 25.2 1.0 CG A:ASP392 3.5 14.8 1.0 CG A:ASP326 3.6 24.1 1.0 CB A:ASP392 3.8 13.6 1.0 CG A:ASP389 4.1 21.0 1.0 O A:ASP389 4.1 20.3 1.0 CB A:ASP389 4.2 19.1 1.0 CA A:ASP389 4.2 18.8 1.0 CB A:ASP326 4.4 20.9 1.0 OD2 A:ASP326 4.5 25.2 1.0 OD1 A:ASP392 4.5 18.0 1.0 C A:ASP389 4.7 19.8 1.0 OD1 A:ASP393 4.7 21.9 1.0 NZ A:LYS325 4.7 10.2 1.0 O A:HOH2087 4.7 12.3 1.0 CA A:ASP326 5.0 16.9 1.0

Magnesium binding site 4 out of 5 in the Native Monoclinic Form of Torpedo Acetylcholinesterase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Native Monoclinic Form of Torpedo Acetylcholinesterase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1542 b:40.7 occ:1.00 ND1 A:HIS264 3.1 50.8 1.0 CB A:HIS264 3.1 46.4 1.0 CA A:HIS264 3.5 42.8 1.0 CG A:HIS264 3.5 50.5 1.0 O A:GLU260 3.5 46.2 1.0 OE2 A:GLU261 3.6 45.6 1.0 N A:HIS264 3.9 41.2 1.0 MG A:MG1539 4.0 11.2 1.0 CE1 A:HIS264 4.3 51.2 1.0 C A:GLU260 4.3 48.5 1.0 CD A:GLU261 4.7 46.0 1.0 CD2 A:HIS264 4.8 50.9 1.0 NH1 A:ARG267 4.9 38.8 1.0 C A:ILE263 4.9 39.6 1.0 C A:HIS264 4.9 41.0 1.0

Magnesium binding site 5 out of 5 in the Native Monoclinic Form of Torpedo Acetylcholinesterase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Native Monoclinic Form of Torpedo Acetylcholinesterase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1543 b:6.5 occ:1.00 OE2 A:GLU139 2.0 29.0 1.0 MG A:MG1540 2.2 1.0 1.0 ND1 A:HIS471 2.7 28.2 1.0 CD A:GLU139 3.0 31.3 1.0 O A:HOH2032 3.3 27.0 1.0 OE1 A:GLU139 3.3 33.8 1.0 CG A:HIS471 3.5 30.4 1.0 CE1 A:HIS471 3.6 30.4 1.0 CB A:HIS471 3.7 30.0 1.0 CG A:GLU139 4.3 29.7 1.0 CA A:HIS471 4.5 30.0 1.0 CD2 A:HIS471 4.6 29.9 1.0 NE2 A:HIS471 4.6 30.2 1.0 O A:ARG467 4.7 32.4 1.0 O A:THR138 4.9 31.2 1.0 CG2 A:THR138 5.0 29.3 1.0

M.Harel, J.L.Sussman. Native Monoclinic Form of Torpedo Acetylcholinesterase To Be Published.