Chlorine in PDB 6e5v: Human MGLU8 Receptor Amino Terminal Domain in Complex with (S)-3,4- Dicarboxyphenylglycine (Dcpg)

The structure of Human MGLU8 Receptor Amino Terminal Domain in Complex with (S)-3,4- Dicarboxyphenylglycine (Dcpg), PDB code: 6e5v was solved by Q.Chen, J.D.Ho, S.Ashok, M.C.Vargas, J.Wang, S.Atwell, M.Bures, J.M.Schkeryantz, J.A.Monn, J.Hao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.82 / 2.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	82.945, 106.780, 117.908, 90.00, 90.00, 90.00
R / Rfree (%)	25.5 / 30.6

The binding sites of Chlorine atom in the Human MGLU8 Receptor Amino Terminal Domain in Complex with (S)-3,4- Dicarboxyphenylglycine (Dcpg) (pdb code 6e5v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human MGLU8 Receptor Amino Terminal Domain in Complex with (S)-3,4- Dicarboxyphenylglycine (Dcpg), PDB code: 6e5v:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human MGLU8 Receptor Amino Terminal Domain in Complex with (S)-3,4- Dicarboxyphenylglycine (Dcpg)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human MGLU8 Receptor Amino Terminal Domain in Complex with (S)-3,4- Dicarboxyphenylglycine (Dcpg) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:46.8 occ:1.00 OG1 A:THR105 3.3 64.7 1.0 N A:ALA154 3.4 50.4 1.0 N A:ALA155 3.4 49.3 1.0 CB A:ALA154 3.6 50.5 1.0 CG1 A:VAL158 3.7 55.0 1.0 CB A:ALA153 3.7 50.8 1.0 CG A:PRO53 3.8 57.0 1.0 CB A:PRO53 3.8 57.0 1.0 CA A:ALA154 3.9 50.4 1.0 CB A:VAL158 3.9 55.4 1.0 CD A:PRO53 3.9 57.0 1.0 CG2 A:VAL158 4.0 55.4 1.0 CB A:THR105 4.1 64.3 1.0 C A:ALA154 4.1 50.0 1.0 CB A:ALA155 4.2 48.9 1.0 N A:PRO53 4.3 56.8 1.0 CA A:ALA155 4.4 49.0 1.0 CG2 A:THR105 4.4 64.1 1.0 C A:ALA153 4.4 50.6 1.0 CA A:PRO53 4.5 57.1 1.0 CA A:ALA153 4.7 50.6 1.0 CA A:SER107 4.7 69.0 1.0 O A:ALA155 4.9 49.4 1.0

Chlorine binding site 2 out of 2 in the Human MGLU8 Receptor Amino Terminal Domain in Complex with (S)-3,4- Dicarboxyphenylglycine (Dcpg)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human MGLU8 Receptor Amino Terminal Domain in Complex with (S)-3,4- Dicarboxyphenylglycine (Dcpg) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:54.2 occ:1.00 OG1 B:THR105 3.0 48.8 1.0 N B:ALA154 3.5 43.8 1.0 N B:ALA155 3.6 45.4 1.0 CB B:ALA154 3.6 43.9 1.0 CG1 B:VAL158 3.7 54.7 1.0 CB B:THR105 3.7 49.4 1.0 CB B:VAL158 3.9 54.8 1.0 CG2 B:THR105 3.9 49.4 1.0 CB B:ALA153 3.9 43.2 1.0 CB B:PRO53 4.0 46.8 1.0 CA B:ALA154 4.0 44.2 1.0 CG2 B:VAL158 4.0 55.3 1.0 CG B:PRO53 4.1 46.8 1.0 CD B:PRO53 4.2 46.8 1.0 N B:PRO53 4.3 46.9 1.0 C B:ALA154 4.3 44.9 1.0 CB B:ALA155 4.4 46.4 1.0 C B:ALA153 4.5 43.6 1.0 CA B:PRO53 4.5 47.0 1.0 CA B:ALA155 4.6 46.3 1.0 CA B:SER107 4.6 55.4 1.0 C B:PHE52 4.7 46.8 1.0 CA B:ALA153 4.7 43.3 1.0 N B:SER107 4.9 54.7 1.0 O B:ALA155 5.0 46.9 1.0

Q.Chen, J.D.Ho, S.Ashok, M.C.Vargas, J.Wang, S.Atwell, M.Bures, J.M.Schkeryantz, J.A.Monn, J.Hao. Structural Basis For ( S)-3,4-Dicarboxyphenylglycine (Dcpg) As A Potent and Subtype Selective Agonist of the MGLU8RECEPTOR. J. Med. Chem. V. 61 10040 2018.
ISSN: ISSN 1520-4804
PubMed: 30365309
DOI: 10.1021/ACS.JMEDCHEM.8B01120