Magnesium in PDB 3lmk: Ligand Binding Domain of Metabotropoc Glutamate Receptor MGLUR5 Complexed with Glutamate

The structure of Ligand Binding Domain of Metabotropoc Glutamate Receptor MGLUR5 Complexed with Glutamate, PDB code: 3lmk was solved by E.Dobrovetsky, G.Khutoreskaya, A.Seitova, D.Cossar, A.M.Edwards, C.H.Arrowsmith, C.Bountra, J.Weigelt, A.Bochkarev, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	83.08 / 2.44
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.875, 98.346, 155.239, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 28.1

The binding sites of Magnesium atom in the Ligand Binding Domain of Metabotropoc Glutamate Receptor MGLUR5 Complexed with Glutamate (pdb code 3lmk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Ligand Binding Domain of Metabotropoc Glutamate Receptor MGLUR5 Complexed with Glutamate, PDB code: 3lmk:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Ligand Binding Domain of Metabotropoc Glutamate Receptor MGLUR5 Complexed with Glutamate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ligand Binding Domain of Metabotropoc Glutamate Receptor MGLUR5 Complexed with Glutamate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg507 b:75.0 occ:1.00 O A:LEU85 2.2 35.5 1.0 O A:HOH539 2.5 14.4 1.0 O A:ILE79 2.6 33.1 1.0 O A:ASP82 2.7 35.2 1.0 O A:LEU86 3.0 34.9 1.0 C A:LEU85 3.4 35.6 1.0 C A:LEU86 3.5 35.0 1.0 C A:ILE79 3.6 33.3 1.0 CA A:ASN80 3.7 34.6 1.0 O A:ASN80 3.8 35.2 1.0 C A:ASP82 3.8 35.5 1.0 C A:ASN80 3.9 35.0 1.0 N A:ASN80 4.1 34.0 1.0 N A:PRO87 4.2 35.0 1.0 CA A:LEU86 4.2 35.1 1.0 N A:LEU86 4.2 35.3 1.0 CB A:LEU86 4.4 35.1 1.0 CA A:PRO87 4.4 35.0 1.0 N A:ASP82 4.4 35.8 1.0 CA A:LEU85 4.5 35.8 1.0 O A:ILE89 4.5 34.7 1.0 CG2 A:ILE79 4.6 32.2 1.0 CA A:ASP82 4.6 35.6 1.0 N A:SER81 4.6 35.4 1.0 N A:LEU85 4.6 36.2 1.0 N A:PRO83 4.7 36.0 1.0 CA A:PRO83 4.7 36.1 1.0 OD1 A:ASN80 4.8 35.4 1.0 CB A:LEU85 4.8 35.5 1.0 CA A:ILE79 4.9 32.9 1.0

Magnesium binding site 2 out of 3 in the Ligand Binding Domain of Metabotropoc Glutamate Receptor MGLUR5 Complexed with Glutamate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ligand Binding Domain of Metabotropoc Glutamate Receptor MGLUR5 Complexed with Glutamate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg508 b:46.2 occ:1.00 NZ A:LYS182 2.7 28.9 1.0 OD1 A:ASP461 2.8 31.6 1.0 O A:ASN459 3.0 32.9 1.0 O A:GLY460 3.1 32.7 1.0 CD2 A:PHE188 3.3 27.0 1.0 O A:LEU179 3.3 29.1 1.0 C A:GLY460 3.4 32.9 1.0 O A:PHE188 3.5 27.3 1.0 CE2 A:PHE188 3.5 27.1 1.0 CG A:ASP461 3.9 33.5 1.0 CA A:MET189 3.9 27.6 1.0 NE A:ARG190 3.9 31.0 1.0 CA A:GLY460 4.0 32.8 1.0 CE A:LYS182 4.0 30.1 1.0 N A:ASP461 4.0 33.4 1.0 CG A:ARG190 4.1 28.9 1.0 C A:ASN459 4.1 33.1 1.0 C A:PHE188 4.2 27.3 1.0 C A:LEU179 4.2 29.2 1.0 C A:MET189 4.3 27.6 1.0 N A:ARG190 4.3 28.1 1.0 N A:MET189 4.4 27.4 1.0 CA A:ASP461 4.4 34.0 1.0 CZ A:ARG190 4.5 31.3 1.0 NH2 A:ARG190 4.5 30.7 1.0 N A:GLY460 4.5 32.6 1.0 CA A:SER180 4.5 29.2 1.0 CD A:ARG190 4.6 29.5 1.0 CG A:PHE188 4.6 27.4 1.0 OD2 A:ASP461 4.7 34.5 1.0 N A:SER180 4.7 29.1 1.0 CB A:ASP461 4.8 33.9 1.0 CB A:LEU179 4.8 29.3 1.0 CZ A:PHE188 4.9 27.4 1.0 CD A:LYS182 4.9 29.3 1.0 CB A:ARG190 5.0 28.9 1.0

Magnesium binding site 3 out of 3 in the Ligand Binding Domain of Metabotropoc Glutamate Receptor MGLUR5 Complexed with Glutamate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Ligand Binding Domain of Metabotropoc Glutamate Receptor MGLUR5 Complexed with Glutamate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg506 b:64.8 occ:1.00 O B:LEU85 2.4 31.1 1.0 O B:ILE79 2.5 31.7 1.0 O B:ASP82 2.9 34.5 1.0 O B:LEU86 3.0 31.1 1.0 C B:ILE79 3.5 31.3 1.0 C B:LEU85 3.6 31.6 1.0 CA B:ASN80 3.6 31.5 1.0 C B:LEU86 3.7 31.1 1.0 C B:ASN80 3.8 31.9 1.0 O B:ASN80 3.9 32.3 1.0 C B:ASP82 3.9 34.3 1.0 N B:ASN80 4.0 31.2 1.0 O B:ILE89 4.1 31.7 1.0 CB B:LEU86 4.2 30.7 1.0 CA B:LEU86 4.2 31.1 1.0 N B:LEU86 4.3 31.1 1.0 N B:ASP82 4.4 33.7 1.0 CG2 B:ILE79 4.4 30.5 1.0 N B:PRO87 4.5 30.9 1.0 N B:SER81 4.6 32.4 1.0 CA B:ASP82 4.7 34.0 1.0 CA B:LEU85 4.7 32.0 1.0 OD1 B:ASN80 4.7 27.9 1.0 CA B:ILE79 4.8 31.4 1.0 CA B:PRO87 4.8 30.8 1.0 N B:PRO83 4.9 34.3 1.0 CB B:ASN80 4.9 31.1 1.0 CB B:LEU85 4.9 31.9 1.0 N B:LEU85 4.9 32.8 1.0 CA B:PRO83 5.0 34.3 1.0

E.Dobrovetsky, G.Khutoreskaya, A.Seitova, D.Cossar, A.M.Edwards, C.H.Arrowsmith, C.Bountra, J.Weigelt, A.Bochkarev. Metabotropic Glutamate Receptor MGLUR5 Complexed with Glutamate To Be Published.