Magnesium in PDB 5cnm: MGLUR3 Complexed with Glutamate Analog

The structure of MGLUR3 Complexed with Glutamate Analog, PDB code: 5cnm was solved by J.A.Monn, D.K.Clawson, D.Mckinzie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.17 / 2.84
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	84.892, 99.025, 71.172, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 22.6

The structure of MGLUR3 Complexed with Glutamate Analog also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the MGLUR3 Complexed with Glutamate Analog (pdb code 5cnm). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the MGLUR3 Complexed with Glutamate Analog, PDB code: 5cnm:

Magnesium binding site 1 out of 1 in the MGLUR3 Complexed with Glutamate Analog


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of MGLUR3 Complexed with Glutamate Analog within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg605 b:60.0 occ:1.00 O A:HOH754 2.6 45.7 1.0 O A:ASP82 2.8 52.4 1.0 O A:ILE79 2.8 43.3 1.0 O A:HOH709 2.9 29.4 1.0 O A:LEU86 3.0 41.1 1.0 O A:LEU85 3.0 41.3 1.0 C A:ASP82 3.7 50.4 1.0 C A:LEU86 3.8 41.4 1.0 C A:ASN80 4.0 46.0 1.0 C A:ILE79 4.0 42.0 1.0 CA A:ASN80 4.0 40.2 1.0 CA A:PRO87 4.0 40.4 1.0 O A:ASN80 4.1 47.8 1.0 N A:ASP82 4.1 38.9 1.0 O A:PRO87 4.2 46.7 1.0 C A:LEU85 4.2 41.4 1.0 N A:PRO87 4.2 40.2 1.0 C A:PRO87 4.4 46.2 1.0 CA A:ASP82 4.4 40.1 1.0 N A:LYS81 4.5 40.2 1.0 N A:ASP83 4.5 48.4 1.0 N A:ASN80 4.5 40.1 1.0 CA A:ASP83 4.6 48.5 1.0 CA A:LEU86 4.7 36.2 1.0 C A:LYS81 4.8 42.5 1.0 OD1 A:ASN80 4.8 40.2 1.0 O A:VAL89 4.8 42.8 1.0 CB A:LEU86 4.8 36.2 1.0 N A:LEU86 4.9 36.3 1.0

J.A.Monn, L.Prieto, L.Taboada, J.Hao, M.R.Reinhard, S.S.Henry, C.D.Beadle, L.Walton, T.Man, H.Rudyk, B.Clark, D.Tupper, S.R.Baker, C.Lamas, C.Montero, A.Marcos, J.Blanco, M.Bures, D.K.Clawson, S.Atwell, F.Lu, J.Wang, M.Russell, B.A.Heinz, X.Wang, J.H.Carter, B.G.Getman, J.T.Catlow, S.Swanson, B.G.Johnson, D.B.Shaw, D.L.Mckinzie. Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl) -Substituted-2-Aminobicyclo[3.1.0]Hexane-2,6-Dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-Triazol-3-Ylsulfanyl) Bicyclo[3.1.0]Hexane-2,6-Dicarboxylic Acid (LY2812223), A Highly Potent, Functionally Selective MGLU2 Receptor Agonist. J.Med.Chem. V. 58 7526 2015.
ISSN: ISSN 0022-2623
PubMed: 26313429
DOI: 10.1021/ACS.JMEDCHEM.5B01124