Chlorine in PDB 3c32: Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Sodium at 1.72 Angstrom Resolution

The structure of Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Sodium at 1.72 Angstrom Resolution, PDB code: 3c32 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)	37.99 / 1.72
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	70.546, 70.546, 234.456, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 19.8

The structure of Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Sodium at 1.72 Angstrom Resolution also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Sodium at 1.72 Angstrom Resolution (pdb code 3c32). 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 Sodium at 1.72 Angstrom Resolution, PDB code: 3c32:
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 Sodium at 1.72 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 Sodium at 1.72 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:33.1 occ:1.00 O A:HOH404 2.8 38.3 1.0 O B:HOH406 3.0 33.9 1.0 NZ A:LYS103 3.1 18.5 1.0 NZ B:LYS103 3.1 16.9 1.0 CG A:LYS103 3.8 15.6 1.0 NH1 B:ARG227 3.8 27.6 1.0 NH2 A:ARG227 3.9 29.3 1.0 CG B:LYS103 4.0 16.7 1.0 CE B:LYS103 4.0 14.4 1.0 O A:PHE101 4.1 12.6 1.0 CE A:LYS103 4.1 15.0 1.0 O B:PHE101 4.2 14.1 1.0 CZ B:ARG227 4.2 29.9 1.0 CZ A:ARG227 4.3 29.1 1.0 N A:LYS103 4.5 12.1 1.0 NE B:ARG227 4.5 30.7 1.0 CD B:ARG227 4.5 29.0 1.0 CD A:LYS103 4.6 17.2 1.0 CD A:ARG227 4.6 27.5 1.0 CD B:LYS103 4.6 18.5 1.0 NE A:ARG227 4.7 29.0 1.0 OG1 A:THR231 4.7 15.1 1.0 N B:LYS103 4.7 12.8 1.0 C A:SER102 4.7 13.5 1.0 OG1 B:THR231 4.8 13.1 1.0 NH2 B:ARG227 4.8 22.8 1.0 CA A:LYS103 4.9 11.8 1.0 C B:SER102 4.9 13.4 1.0 NH1 A:ARG227 4.9 19.7 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Sodium at 1.72 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 Sodium at 1.72 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:29.2 occ:0.70 O A:HOH461 2.6 40.4 1.0 N A:LEU55 3.1 14.8 1.0 NH1 A:ARG31 3.2 24.6 1.0 NH2 A:ARG31 3.4 19.9 1.0 O A:HOH534 3.4 33.8 1.0 CA A:LYS54 3.6 16.1 0.5 CA A:LYS54 3.6 16.4 0.5 CZ A:ARG31 3.7 22.8 1.0 C A:LYS54 3.8 15.2 0.5 C A:LYS54 3.8 15.4 0.5 CG A:LYS54 3.9 18.0 0.5 CB A:LEU55 4.0 14.3 1.0 CG A:LEU55 4.1 15.6 1.0 CA A:LEU55 4.1 14.1 1.0 CB A:LYS54 4.2 16.3 0.5 O A:VAL53 4.2 16.7 1.0 CB A:LYS54 4.4 16.4 0.5 O A:LEU55 4.5 14.3 1.0 CD1 A:LEU55 4.7 18.1 1.0 N A:LYS54 4.7 16.6 0.5 CZ A:PHE32 4.7 21.0 1.0 N A:LYS54 4.7 16.6 0.5 C A:LEU55 4.8 13.3 1.0 O A:HOH454 4.9 24.7 1.0 CG A:LYS54 4.9 17.3 0.5 C A:VAL53 4.9 17.9 1.0 O A:HOH575 5.0 50.7 1.0 O A:LYS54 5.0 14.7 0.5

Chlorine binding site 3 out of 4 in the Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Sodium at 1.72 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 Sodium at 1.72 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:33.8 occ:1.00 NZ B:LYS75 3.1 18.6 1.0 N B:TRP70 3.5 17.7 1.0 CE B:LYS75 3.7 14.9 1.0 CD B:LYS75 3.7 13.3 1.0 CG B:GLU69 4.0 23.5 1.0 CD1 B:TRP70 4.1 15.8 1.0 CB B:TRP70 4.1 14.9 1.0 CA B:GLU69 4.1 21.9 1.0 CG2 B:ILE78 4.2 14.4 1.0 CD1 B:ILE78 4.2 11.2 1.0 C B:GLU69 4.3 19.8 1.0 CA B:TRP70 4.4 15.2 1.0 CG B:TRP70 4.5 14.2 1.0 O B:HOH630 4.5 31.2 1.0 CB B:GLU69 4.6 22.9 1.0 O B:TRP70 4.8 13.3 1.0 O B:GLY68 4.8 28.5 1.0 CB B:ILE78 4.9 11.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Sodium at 1.72 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 Sodium at 1.72 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:34.1 occ:1.00 O B:HOH573 2.6 37.1 1.0 O B:HOH445 2.9 23.8 1.0 N B:LEU55 3.1 12.9 1.0 NH1 B:ARG31 3.1 18.3 1.0 O B:HOH606 3.3 42.1 1.0 NH2 B:ARG31 3.4 16.0 1.0 CA B:LYS54 3.6 14.5 0.5 CA B:LYS54 3.7 12.7 0.5 CZ B:ARG31 3.7 18.9 1.0 C B:LYS54 3.8 14.8 0.5 C B:LYS54 3.8 13.8 0.5 CB B:LEU55 3.9 12.2 1.0 CG B:LEU55 4.0 13.0 1.0 CA B:LEU55 4.1 11.9 1.0 O B:VAL53 4.2 14.4 1.0 CG B:LYS54 4.2 9.8 0.5 CB B:LYS54 4.4 15.4 0.5 CD1 B:LEU55 4.4 16.8 1.0 CD B:LYS54 4.4 23.9 0.5 CB B:LYS54 4.5 12.7 0.5 O B:LEU55 4.5 11.8 1.0 O B:HOH433 4.6 22.5 1.0 CZ B:PHE32 4.7 16.4 1.0 N B:LYS54 4.7 14.0 0.5 N B:LYS54 4.7 13.1 0.5 C B:LEU55 4.8 12.2 1.0 C B:VAL53 4.9 14.8 1.0 NE B:ARG31 5.0 12.9 1.0 O B:LYS54 5.0 13.4 0.5

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