Chlorine in PDB 4g8m: Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with the Agonist Cbg-IV at 2.05A Resolution

The structure of Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with the Agonist Cbg-IV at 2.05A Resolution, PDB code: 4g8m was solved by L.Juknaite, K.Frydenvang, J.S.Kastrup, M.Gajhede, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.44 / 2.05
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	98.367, 120.926, 47.929, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 22.8

The binding sites of Chlorine atom in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with the Agonist Cbg-IV at 2.05A Resolution (pdb code 4g8m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with the Agonist Cbg-IV at 2.05A Resolution, PDB code: 4g8m:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with the Agonist Cbg-IV at 2.05A Resolution


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 GLUA2 Ligand-Binding Domain (S1S2J) in Complex with the Agonist Cbg-IV at 2.05A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:52.6 occ:1.00 N A:ASN19 3.1 23.1 1.0 O A:HOH456 3.4 24.7 1.0 CA A:LYS18 3.7 24.5 1.0 CD A:LYS18 3.8 33.8 1.0 C A:LYS18 3.9 24.8 1.0 CA A:ASN19 4.0 22.4 1.0 CD2 A:HIS20 4.1 19.1 1.0 CG A:LYS18 4.1 41.7 1.0 O A:LYS17 4.2 21.1 1.0 CE A:LYS18 4.3 43.9 1.0 CB A:LYS18 4.5 31.3 1.0 N A:HIS20 4.5 17.8 1.0 NE2 A:HIS20 4.6 19.3 1.0 OE1 A:GLU21 4.6 28.2 0.5 NZ A:LYS18 4.7 44.6 1.0 N A:LYS18 4.8 20.5 1.0 C A:ASN19 4.8 23.2 1.0 C A:LYS17 4.9 21.3 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with the Agonist Cbg-IV at 2.05A Resolution


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 GLUA2 Ligand-Binding Domain (S1S2J) in Complex with the Agonist Cbg-IV at 2.05A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl905 b:51.3 occ:1.00 CD B:LYS1 3.2 44.4 1.0 N B:THR2 3.3 22.1 1.0 OG1 B:THR2 3.5 26.5 1.0 CB B:THR2 3.9 28.0 1.0 CA B:LYS1 4.0 29.9 1.0 C B:LYS1 4.1 32.2 1.0 CE B:LYS1 4.2 53.4 1.0 CB B:LYS1 4.2 33.2 1.0 CA B:THR2 4.2 24.4 1.0 O B:HOH1142 4.2 34.6 1.0 CG B:LYS1 4.3 41.4 1.0 O B:ASN0 5.0 32.0 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with the Agonist Cbg-IV at 2.05A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with the Agonist Cbg-IV at 2.05A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl906 b:55.1 occ:1.00 N B:SER105 3.3 16.9 1.0 O B:HOH1129 3.3 27.7 1.0 O B:HOH1050 3.4 27.1 1.0 CB B:SER105 3.9 20.9 1.0 OG B:SER105 4.0 27.1 1.0 CA B:MET104 4.1 20.5 1.0 CA B:SER105 4.1 20.0 1.0 C B:MET104 4.2 23.4 1.0 CG B:MET104 4.2 27.4 1.0 OG A:SER214 4.3 41.1 1.0 CB A:SER214 4.3 23.6 1.0 O B:SER105 4.4 24.4 1.0 CB B:MET104 4.7 20.0 1.0 C B:SER105 4.7 27.3 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