Chlorine in PDB 3c36: Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Ammonium Ions at 1.68 Angstrom Resolution

The structure of Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Ammonium Ions at 1.68 Angstrom Resolution, PDB code: 3c36 was solved by M.L.Mayer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.07 / 1.68
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	70.760, 70.760, 234.323, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 20.1

The binding sites of Chlorine atom in the Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Ammonium Ions at 1.68 Angstrom Resolution (pdb code 3c36). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Ammonium Ions at 1.68 Angstrom Resolution, PDB code: 3c36:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Ammonium Ions at 1.68 Angstrom 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 GLUR5 Ligand-Binding Core in Complex with Ammonium Ions at 1.68 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:29.1 occ:1.00 O A:HOH566 2.9 31.2 1.0 O B:HOH799 3.0 35.2 1.0 NZ B:LYS103 3.2 15.8 1.0 NZ A:LYS103 3.3 17.5 1.0 NH1 A:ARG227 3.6 30.0 1.0 NH1 B:ARG227 3.8 28.2 1.0 O B:HOH809 3.8 45.9 1.0 CG A:LYS103 3.9 15.7 1.0 CG B:LYS103 4.0 16.4 1.0 CE B:LYS103 4.1 14.7 1.0 O B:PHE101 4.1 14.3 1.0 O A:PHE101 4.1 12.3 1.0 CE A:LYS103 4.2 15.4 1.0 CZ B:ARG227 4.2 29.9 1.0 CD A:ARG227 4.5 21.5 1.0 CD B:ARG227 4.5 26.8 1.0 NE B:ARG227 4.6 30.4 1.0 N B:LYS103 4.6 12.7 1.0 N A:LYS103 4.6 13.1 1.0 CD B:LYS103 4.7 17.2 1.0 CZ A:ARG227 4.7 24.2 1.0 CD A:LYS103 4.8 17.8 1.0 OG1 B:THR231 4.8 13.1 1.0 OG1 A:THR231 4.9 15.3 1.0 NH2 B:ARG227 4.9 25.3 1.0 OD1 B:ASP228 4.9 22.9 1.0 C B:SER102 4.9 13.0 1.0 C A:SER102 5.0 13.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Ammonium Ions at 1.68 Angstrom 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 GLUR5 Ligand-Binding Core in Complex with Ammonium Ions at 1.68 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:37.4 occ:1.00 O A:HOH448 2.5 40.4 1.0 N A:LEU55 3.0 13.6 1.0 NH1 A:ARG31 3.1 22.7 1.0 NH2 A:ARG31 3.4 18.8 1.0 O A:HOH526 3.4 35.3 1.0 CA A:LYS54 3.5 14.5 0.5 O A:HOH664 3.5 57.0 1.0 CA A:LYS54 3.6 14.8 0.5 CZ A:ARG31 3.7 22.0 1.0 C A:LYS54 3.8 13.4 0.5 C A:LYS54 3.8 13.8 0.5 CB A:LEU55 3.9 12.6 1.0 CG A:LEU55 4.0 14.1 1.0 CA A:LEU55 4.1 13.7 1.0 CB A:LYS54 4.1 14.7 0.5 O A:VAL53 4.2 14.8 1.0 CD A:LYS54 4.3 21.6 0.5 CB A:LYS54 4.5 14.5 0.5 O A:LEU55 4.5 12.3 1.0 CZ A:PHE32 4.6 17.4 1.0 CD1 A:LEU55 4.6 15.7 1.0 N A:LYS54 4.6 14.7 0.5 N A:LYS54 4.7 14.8 0.5 CG A:LYS54 4.7 16.9 0.5 C A:LEU55 4.8 11.9 1.0 C A:VAL53 4.8 15.4 1.0 O A:HOH464 4.9 23.2 1.0 O A:LYS54 5.0 13.2 0.5 NZ A:LYS54 5.0 26.7 0.5

Chlorine binding site 3 out of 4 in the Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Ammonium Ions at 1.68 Angstrom 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 GLUR5 Ligand-Binding Core in Complex with Ammonium Ions at 1.68 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:35.5 occ:1.00 O B:HOH786 2.6 41.5 1.0 O B:HOH670 3.0 24.3 1.0 N B:LEU55 3.1 15.1 1.0 NH1 B:ARG31 3.1 18.6 1.0 NH2 B:ARG31 3.4 14.5 1.0 O B:HOH707 3.4 29.4 1.0 CA B:LYS54 3.6 15.8 1.0 CZ B:ARG31 3.7 17.3 1.0 C B:LYS54 3.8 16.5 1.0 CB B:LEU55 4.0 13.5 1.0 CG B:LEU55 4.1 14.3 1.0 CA B:LEU55 4.1 13.9 1.0 CG B:LYS54 4.2 21.1 1.0 O B:VAL53 4.2 16.1 1.0 CB B:LYS54 4.4 17.1 1.0 O B:HOH676 4.4 24.5 1.0 CD1 B:LEU55 4.5 17.6 1.0 O B:LEU55 4.5 13.1 1.0 N B:LYS54 4.7 15.2 1.0 CZ B:PHE32 4.7 18.0 1.0 O B:HOH647 4.7 23.0 1.0 C B:LEU55 4.8 13.2 1.0 C B:VAL53 4.9 15.4 1.0 O B:HOH849 5.0 42.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Ammonium Ions at 1.68 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Ammonium Ions at 1.68 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl307 b:71.7 occ:1.00 O B:HOH870 2.3 57.8 1.0 OG B:SER22 3.7 18.2 1.0 O B:HOH822 3.7 39.0 1.0 NH1 B:ARG20 3.9 26.1 1.0 NH2 B:ARG20 4.0 29.3 1.0 CB B:SER22 4.3 17.7 1.0 CZ B:ARG20 4.4 28.5 1.0 CE B:LYS24 4.9 28.5 1.0 NZ B:LYS24 4.9 31.2 1.0 CA B:SER22 5.0 19.0 1.0

A.J.Plested, R.Vijayan, P.C.Biggin, M.L.Mayer. Molecular Basis of Kainate Receptor Modulation By Sodium. Neuron V. 58 720 2008.
ISSN: ISSN 0896-6273
PubMed: 18549784
DOI: 10.1016/J.NEURON.2008.04.001