Chlorine in PDB 4g8n: Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist G8M

The structure of Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist G8M, PDB code: 4g8n was solved by R.Venskutonyte, J.S.Kastrup, K.Frydenvang, M.Gajhede, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.69 / 2.30
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	67.821, 67.821, 122.881, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 22.8

The structure of Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist G8M also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist G8M (pdb code 4g8n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist G8M, PDB code: 4g8n:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist G8M


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist G8M within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:28.2 occ:1.00 NH1 A:ARG33 3.3 14.9 1.0 N A:LEU57 3.4 20.6 1.0 NH2 A:ARG33 3.4 16.5 1.0 CA A:ARG56 3.8 20.0 1.0 CZ A:ARG33 3.8 21.6 1.0 C A:ARG56 4.1 24.0 1.0 CB A:LEU57 4.2 24.5 1.0 O A:ILE55 4.2 16.4 1.0 CD1 A:LEU57 4.3 19.8 1.0 CG A:LEU57 4.3 22.1 1.0 CA A:LEU57 4.4 23.6 1.0 CB A:ARG56 4.5 16.9 1.0 CZ A:PHE34 4.7 16.6 1.0 CG A:ARG56 4.8 22.8 1.0 N A:ARG56 4.8 20.7 1.0 C A:ILE55 4.9 17.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist G8M


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Kainate Receptor GLUK3 Ligand-Binding Domain in Complex with the Agonist G8M within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:37.3 occ:1.00 N A:HIS245 3.2 25.3 1.0 CA A:ASP242 3.4 36.6 1.0 O A:HOH481 3.4 42.0 1.0 N A:LEU244 3.5 22.5 1.0 CB A:LEU244 3.5 20.3 1.0 O A:GLN239 3.6 43.8 1.0 C A:ASP242 3.6 28.1 1.0 CA A:GLN239 3.7 35.7 1.0 CA A:LEU244 3.8 27.8 1.0 OD1 A:ASP242 3.8 62.2 1.0 C A:LEU244 3.9 26.4 1.0 O A:ASP242 4.0 27.0 1.0 CG A:GLN239 4.0 34.5 1.0 CB A:HIS245 4.0 36.7 1.0 N A:LYS243 4.0 26.4 1.0 O A:HOH525 4.1 46.1 1.0 C A:GLN239 4.1 39.5 1.0 CA A:HIS245 4.1 36.1 1.0 N A:ASP242 4.2 37.1 1.0 CG A:LEU244 4.2 30.8 1.0 CB A:ASP242 4.3 35.8 1.0 CB A:GLN239 4.3 27.9 1.0 CG A:ASP242 4.3 52.0 1.0 O A:LEU238 4.4 25.8 1.0 C A:LYS243 4.5 25.0 1.0 N A:GLN239 4.7 25.7 1.0 CA A:LYS243 4.8 27.9 1.0 C A:LEU238 5.0 28.0 1.0 CD1 A:LEU244 5.0 25.1 1.0

L.Juknaite, R.Venskutonyte, Z.Assaf, S.Faure, T.Gefflaut, D.J.Aitken, B.Nielsen, M.Gajhede, J.S.Kastrup, L.Bunch, K.Frydenvang, D.S.Pickering. Pharmacological and Structural Characterization of Conformationally Restricted (S)-Glutamate Analogues at Ionotropic Glutamate Receptors. J.Struct.Biol. V. 180 39 2012.
ISSN: ISSN 1047-8477
PubMed: 22789682
DOI: 10.1016/J.JSB.2012.07.001