Calcium in PDB 6b7h: Structure of MGLUR3 with An Agonist

The structure of Structure of MGLUR3 with An Agonist, PDB code: 6b7h was solved by J.A.Monn, D.K.Clawson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.28 / 2.82
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	80.081, 80.081, 161.887, 90.00, 90.00, 120.00
R / Rfree (%)	18.4 / 22.3

The binding sites of Calcium atom in the Structure of MGLUR3 with An Agonist (pdb code 6b7h). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Structure of MGLUR3 with An Agonist, PDB code: 6b7h:

Calcium binding site 1 out of 1 in the Structure of MGLUR3 with An Agonist


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of MGLUR3 with An Agonist within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca807 b:0.9 occ:1.00 O A:LEU86 2.5 91.6 1.0 O A:ILE79 2.5 85.2 1.0 O A:LEU85 3.2 86.8 1.0 C A:LEU86 3.3 92.8 1.0 C A:ILE79 3.4 83.2 1.0 CA A:ASN80 3.7 79.1 1.0 O A:HOH914 3.7 65.3 1.0 O A:ASP82 3.8 90.1 1.0 N A:ASN80 3.9 78.1 1.0 N A:PRO87 3.9 94.9 1.0 CA A:PRO87 3.9 97.4 1.0 CG2 A:ILE79 3.9 79.3 1.0 O A:VAL89 3.9 87.2 1.0 C A:ASN80 4.1 85.3 1.0 CA A:LEU86 4.2 83.9 1.0 C A:LEU85 4.3 86.9 1.0 OD1 A:ASN80 4.3 79.8 1.0 CB A:LEU86 4.3 79.9 1.0 O A:ASN80 4.4 89.2 1.0 CA A:ILE79 4.6 78.3 1.0 N A:LEU86 4.7 84.0 1.0 N A:LYS81 4.7 80.3 1.0 N A:ASP82 4.7 83.1 1.0 C A:ASP82 4.8 91.6 1.0 C A:PRO87 4.8 0.3 1.0 CB A:ILE79 4.8 78.3 1.0 CB A:ASN80 4.9 75.6 1.0 C A:VAL89 4.9 88.4 1.0

J.A.Monn, S.S.Henry, S.M.Massey, D.K.Clawson, Q.Chen, B.A.Diseroad, R.M.Bhardwaj, S.Atwell, F.Lu, J.Wang, M.Russell, B.A.Heinz, X.S.Wang, J.H.Carter, B.G.Getman, K.Adragni, L.M.Broad, H.E.Sanger, D.Ursu, J.T.Catlow, S.Swanson, B.G.Johnson, D.B.Shaw, D.L.Mckinzie, J.Hao. Synthesis and Pharmacological Characterization of C4BETA-Amide-Substituted 2-Aminobicyclo[3.1.0]Hexane-2,6-Dicarboxylates. Identification of (1 S,2 S,4 S,5 R,6 S)-2-Amino-4-[(3-Methoxybenzoyl) Amino]Bicyclo[3.1.0]Hexane-2,6-Dicarboxylic Acid (LY2794193), A Highly Potent and Selective MGLU3RECEPTOR Agonist. J. Med. Chem. V. 61 2303 2018.
ISSN: ISSN 1520-4804
PubMed: 29350927
DOI: 10.1021/ACS.JMEDCHEM.7B01481