Magnesium in PDB 3ks9: Metabotropic Glutamate Receptor MGLUR1 Complexed with LY341495 Antagonist

The structure of Metabotropic Glutamate Receptor MGLUR1 Complexed with LY341495 Antagonist, PDB code: 3ks9 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)	93.44 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	79.230, 96.546, 97.545, 90.00, 106.67, 90.00
R / Rfree (%)	20.6 / 24.1

The binding sites of Magnesium atom in the Metabotropic Glutamate Receptor MGLUR1 Complexed with LY341495 Antagonist (pdb code 3ks9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Metabotropic Glutamate Receptor MGLUR1 Complexed with LY341495 Antagonist, PDB code: 3ks9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Metabotropic Glutamate Receptor MGLUR1 Complexed with LY341495 Antagonist


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Metabotropic Glutamate Receptor MGLUR1 Complexed with LY341495 Antagonist within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg524 b:22.0 occ:1.00 O A:ASP92 2.6 37.6 1.0 O A:LEU95 2.6 30.5 1.0 O A:ILE89 2.6 29.5 1.0 O A:LEU96 2.7 29.6 1.0 O A:HOH614 2.9 29.8 1.0 O A:HOH880 3.2 50.3 1.0 O A:ASN90 3.3 31.8 1.0 C A:LEU96 3.4 29.9 1.0 C A:ASP92 3.7 37.9 1.0 C A:ILE89 3.7 29.4 1.0 C A:ASN90 3.7 31.4 1.0 C A:LEU95 3.8 31.2 1.0 CA A:ASN90 3.8 30.9 1.0 O A:HOH616 3.9 57.3 1.0 N A:ASP92 3.9 36.9 1.0 N A:PRO97 4.1 30.5 1.0 CA A:PRO97 4.1 31.1 1.0 N A:ASN90 4.2 30.0 1.0 CA A:ASP92 4.2 37.7 1.0 CA A:LEU96 4.2 29.6 1.0 CB A:LEU96 4.3 29.1 1.0 CB A:ASP92 4.4 38.0 1.0 N A:LEU96 4.5 30.1 1.0 O A:PRO97 4.5 31.0 1.0 C A:PRO97 4.5 30.8 1.0 N A:ALA91 4.6 33.0 1.0 CG2 A:ILE89 4.7 26.8 1.0 O A:ILE99 4.8 30.0 1.0 N A:PRO93 4.8 38.2 1.0 C A:ALA91 4.8 35.8 1.0 CA A:LEU95 4.9 32.5 1.0 N A:LEU95 5.0 34.5 1.0 CA A:ILE89 5.0 28.6 1.0

Magnesium binding site 2 out of 2 in the Metabotropic Glutamate Receptor MGLUR1 Complexed with LY341495 Antagonist


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Metabotropic Glutamate Receptor MGLUR1 Complexed with LY341495 Antagonist within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg524 b:26.5 occ:1.00 O B:LEU96 2.5 40.2 1.0 O B:LEU95 2.6 42.0 1.0 O B:ASP92 2.7 45.4 1.0 O B:HOH744 2.7 52.2 1.0 O B:ILE89 2.7 36.7 1.0 C B:LEU96 3.3 41.0 1.0 O B:ASN90 3.5 39.2 1.0 C B:LEU95 3.7 41.5 1.0 C B:ASP92 3.8 45.5 1.0 C B:ILE89 3.8 36.6 1.0 C B:ASN90 3.8 39.0 1.0 CA B:ASN90 3.9 38.2 1.0 O B:PRO97 4.0 42.6 1.0 N B:PRO97 4.1 41.2 1.0 CA B:LEU96 4.1 40.7 1.0 CB B:LEU96 4.2 40.1 1.0 N B:ASP92 4.2 43.9 1.0 CA B:PRO97 4.2 41.4 1.0 N B:ASN90 4.3 37.0 1.0 C B:PRO97 4.3 41.4 1.0 CA B:ASP92 4.4 45.0 1.0 N B:LEU96 4.4 40.7 1.0 CB B:ASP92 4.5 45.4 1.0 O B:ILE99 4.5 38.7 1.0 N B:ALA91 4.7 39.9 1.0 C B:ALA91 4.8 42.8 1.0 CG2 B:ILE89 4.8 34.4 1.0 CA B:LEU95 4.9 42.2 1.0 N B:PRO93 4.9 46.2 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 MGLUR1 Complexed with LY341495 Antagonist To Be Published.