Chlorine in PDB 5nih: Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with Agonist Lm-12B at 1.3 A Resolution.

The structure of Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with Agonist Lm-12B at 1.3 A Resolution., PDB code: 5nih was solved by S.Laulumaa, K.A.Frydenvang, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.27 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.577, 87.954, 96.535, 90.00, 90.00, 90.00
R / Rfree (%)	12.7 / 15.8

The binding sites of Chlorine atom in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with Agonist Lm-12B at 1.3 A Resolution. (pdb code 5nih). 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 GLUA2 Ligand-Binding Domain (S1S2J) in Complex with Agonist Lm-12B at 1.3 A Resolution., PDB code: 5nih:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with Agonist Lm-12B at 1.3 A 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 Agonist Lm-12B at 1.3 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:47.9 occ:1.00 O B:HOH431 3.0 35.2 1.0 N B:ALA153 3.2 15.7 1.0 CB B:ALA153 3.8 17.0 1.0 O B:HOH646 3.9 19.2 1.0 CA B:ILE152 3.9 14.2 1.0 C B:ILE152 4.0 14.2 1.0 CA B:ALA153 4.1 16.1 1.0 O B:LYS151 4.3 15.4 0.5 CG2 B:ILE152 4.4 15.8 1.0 O B:LYS151 4.4 17.4 0.5 CD1 B:ILE152 4.4 18.1 1.0 CB B:ILE152 4.6 15.5 1.0 O A:HOH765 4.8 45.8 1.0 N B:ILE152 5.0 15.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the GLUA2 Ligand-Binding Domain (S1S2J) in Complex with Agonist Lm-12B at 1.3 A 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 Agonist Lm-12B at 1.3 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl309 b:51.4 occ:0.85 O A:HOH605 2.9 41.2 1.0 N A:ALA153 3.4 19.1 1.0 O A:HOH624 3.6 26.3 1.0 CA A:ILE152 4.0 18.6 1.0 CB A:ALA153 4.0 21.3 1.0 C A:ILE152 4.2 18.5 1.0 CG2 A:ILE152 4.3 20.8 1.0 CA A:ALA153 4.3 19.8 1.0 CD1 A:ILE152 4.4 22.2 1.0 O A:LYS151 4.5 21.1 1.0 CB A:ILE152 4.7 20.0 1.0

S.Mllerud, A.Pinto, L.Marconi, K.Frydenvang, T.S.Thorsen, S.Laulumaa, R.Venskutonyte, S.Winther, A.M.C.Moral, L.Tamborini, P.Conti, D.S.Pickering, J.S.Kastrup. Structure and Affinity of Two Bicyclic Glutamate Analogues at Ampa and Kainate Receptors. Acs Chem Neurosci V. 8 2056 2017.
ISSN: ESSN 1948-7193
PubMed: 28691798
DOI: 10.1021/ACSCHEMNEURO.7B00201