Magnesium in PDB 5kzn: Metabotropic Glutamate Receptor

The structure of Metabotropic Glutamate Receptor, PDB code: 5kzn was solved by M.D.Chappell, R.Li, S.C.Smith, B.A.Dressman, E.G.Tromiczak, A.E.Tripp, M.-J.Blanco, T.Vetman, S.J.Quimby, J.Matt, T.Britton, A.M.Fivush, J.M.Schkeryantz, D.Mayhugh, J.A.Erickson, M.Bures, C.Jaramillo, M.Carpintero, J.E.De Diego, M.Barberis, S.Garcia-Cerrada, J.F.Soriano, S.Antonysamy, S.Atwell, I.Macewan, B.Condon, C.Bradley, J.Wang, A.Zhang, K.Conners, C.Groshong, S.R.Wasserman, J.W.Koss, J.M.Witkin, X.Li, C.Overshiner, K.A.Wafford, W.Seidel, X.-S.Wang, B.A.Heinz, S.Swanson, J.Catlow, D.Bedwell, J.A.Monn, C.H.Mitch, P.Ornstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.17 / 2.80
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	129.850, 129.850, 252.483, 90.00, 90.00, 120.00
R / Rfree (%)	22 / 24.9

The binding sites of Magnesium atom in the Metabotropic Glutamate Receptor (pdb code 5kzn). 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 Metabotropic Glutamate Receptor, PDB code: 5kzn:

Magnesium binding site 1 out of 1 in the Metabotropic Glutamate Receptor


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:55.6 occ:1.00 O A:LEU78 2.4 79.7 1.0 O A:ILE72 2.5 78.8 1.0 O A:LEU79 2.6 82.5 1.0 O A:HOH707 2.6 67.9 1.0 O A:ASP75 2.7 78.6 1.0 O A:HOH725 2.7 58.6 1.0 C A:LEU79 3.4 83.9 1.0 C A:ILE72 3.6 75.3 1.0 C A:LEU78 3.6 82.0 1.0 C A:ASP75 3.8 81.4 1.0 CA A:ASN73 4.0 69.7 1.0 N A:ASP75 4.0 73.9 1.0 C A:ASN73 4.1 77.3 1.0 CA A:LEU79 4.1 78.2 1.0 O A:ASN73 4.1 80.4 1.0 N A:PRO80 4.1 82.2 1.0 CB A:ASP75 4.2 75.4 1.0 CA A:ASP75 4.2 75.3 1.0 CB A:LEU79 4.2 75.7 1.0 N A:ASN73 4.2 69.8 1.0 CA A:PRO80 4.2 82.4 1.0 N A:LEU79 4.3 79.0 1.0 O A:VAL82 4.6 82.3 1.0 CG2 A:ILE72 4.6 71.1 1.0 N A:ARG74 4.6 71.8 1.0 C A:PRO80 4.7 85.4 1.0 CA A:ILE72 4.7 69.3 1.0 O A:PRO80 4.8 85.2 1.0 CA A:LEU78 4.8 79.4 1.0 C A:ARG74 4.9 78.0 1.0 N A:PRO76 5.0 82.5 1.0 N A:LEU78 5.0 83.3 1.0

M.D.Chappell, R.Li, S.C.Smith, B.A.Dressman, E.G.Tromiczak, A.E.Tripp, M.J.Blanco, T.Vetman, S.J.Quimby, J.Matt, T.C.Britton, A.M.Fivush, J.M.Schkeryantz, D.Mayhugh, J.A.Erickson, M.G.Bures, C.Jaramillo, M.Carpintero, J.E.Diego, M.Barberis, S.Garcia-Cerrada, J.F.Soriano, S.Antonysamy, S.Atwell, I.Macewan, B.Condon, C.Sougias, J.Wang, A.Zhang, K.Conners, C.Groshong, S.R.Wasserman, J.W.Koss, J.M.Witkin, X.Li, C.Overshiner, K.A.Wafford, W.Seidel, X.S.Wang, B.A.Heinz, S.Swanson, J.T.Catlow, D.W.Bedwell, J.A.Monn, C.H.Mitch, P.L.Ornstein. Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-Difluorophenyl) Sulfanylmethyl]-4-Hydroxy-Bicyclo[3.1.0]Hexane-2, 6-Dicarboxylic Acid Hydrochloride (LY3020371HCL): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity. J. Med. Chem. V. 59 10974 2016.
ISSN: ISSN 1520-4804
PubMed: 28002967