Chlorine in PDB 3c33: Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Potassium at 1.78 Angstrom Resolution

The structure of Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Potassium at 1.78 Angstrom Resolution, PDB code: 3c33 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)	29.31 / 1.72
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	70.742, 70.742, 234.460, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 19.4

The structure of Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Potassium at 1.78 Angstrom Resolution also contains other interesting chemical elements:

Potassium

(K)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Potassium at 1.78 Angstrom Resolution (pdb code 3c33). 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 Potassium at 1.78 Angstrom Resolution, PDB code: 3c33:
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 Potassium at 1.78 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 Potassium at 1.78 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:29.9 occ:1.00 O A:HOH406 2.8 30.0 1.0 O B:HOH405 2.8 21.1 0.7 NZ A:LYS103 3.2 15.1 1.0 NZ B:LYS103 3.2 12.9 1.0 NH2 A:ARG227 3.5 29.9 1.0 NH1 B:ARG227 3.7 26.9 1.0 O B:HOH405 3.9 24.0 0.3 CG A:LYS103 3.9 11.7 1.0 CE B:LYS103 4.0 12.4 1.0 CG B:LYS103 4.0 13.5 1.0 O A:PHE101 4.1 9.0 1.0 CE A:LYS103 4.1 12.7 1.0 O B:PHE101 4.1 10.4 1.0 CZ B:ARG227 4.2 27.0 1.0 CD B:ARG227 4.4 22.0 1.0 CD A:ARG227 4.4 19.2 1.0 NE B:ARG227 4.5 27.1 1.0 N A:LYS103 4.6 9.7 1.0 CZ A:ARG227 4.6 25.6 1.0 CD A:LYS103 4.7 15.2 1.0 CD B:LYS103 4.7 15.9 1.0 N B:LYS103 4.7 9.9 1.0 O B:HOH605 4.8 21.5 0.5 OG1 A:THR231 4.8 13.8 1.0 OG1 B:THR231 4.8 11.4 1.0 C A:SER102 4.9 11.5 1.0 O A:HOH407 5.0 24.0 1.0 C B:SER102 5.0 10.4 1.0 NE A:ARG227 5.0 23.5 1.0 NH2 B:ARG227 5.0 24.8 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Potassium at 1.78 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 Potassium at 1.78 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:32.8 occ:1.00 O A:HOH480 2.6 38.6 1.0 O A:HOH488 2.9 25.5 1.0 N A:LEU55 3.1 9.8 1.0 NH1 A:ARG31 3.1 20.7 1.0 O A:HOH562 3.4 31.7 1.0 NH2 A:ARG31 3.4 17.0 1.0 CA A:LYS54 3.6 10.9 0.5 CA A:LYS54 3.7 10.9 0.5 CZ A:ARG31 3.7 21.0 1.0 C A:LYS54 3.8 10.3 1.0 CB A:LEU55 3.9 9.4 1.0 CG A:LEU55 4.0 9.5 1.0 CA A:LEU55 4.1 8.5 1.0 CG A:LYS54 4.2 12.4 0.5 O A:VAL53 4.2 10.6 1.0 CB A:LYS54 4.3 10.9 0.5 CB A:LYS54 4.4 11.1 0.5 O A:LEU55 4.5 8.9 1.0 CD1 A:LEU55 4.6 11.9 1.0 CZ A:PHE32 4.7 13.1 1.0 CG A:LYS54 4.7 12.3 0.5 N A:LYS54 4.7 10.8 1.0 C A:LEU55 4.8 8.3 1.0 O A:HOH472 4.8 19.7 1.0 C A:VAL53 4.9 11.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Potassium at 1.78 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 Potassium at 1.78 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:69.4 occ:1.00 OG B:SER22 3.4 17.2 1.0 NH2 B:ARG20 3.6 26.8 1.0 O B:HOH567 3.7 36.4 1.0 NH1 B:ARG20 3.9 25.4 1.0 CB B:SER22 4.0 14.6 1.0 NZ B:LYS24 4.1 30.8 1.0 CZ B:ARG20 4.2 26.8 1.0 CE B:LYS24 4.3 25.1 1.0 CA B:SER22 4.8 15.0 1.0 OD1 B:ASP23 4.9 14.1 0.5

Chlorine binding site 4 out of 4 in the Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Potassium at 1.78 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 Potassium at 1.78 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl307 b:30.9 occ:1.00 O B:HOH647 2.7 39.1 1.0 N B:LEU55 3.1 10.4 1.0 NH1 B:ARG31 3.2 15.8 1.0 NH2 B:ARG31 3.4 13.8 1.0 O B:HOH512 3.4 29.4 1.0 CA B:LYS54 3.6 11.2 0.5 CA B:LYS54 3.6 10.7 0.5 CZ B:ARG31 3.8 15.3 1.0 C B:LYS54 3.8 11.4 1.0 CB B:LEU55 4.0 9.8 1.0 CG B:LEU55 4.1 9.9 1.0 CA B:LEU55 4.1 9.2 1.0 O B:VAL53 4.2 11.4 1.0 CG B:LYS54 4.3 10.2 0.5 CB B:LYS54 4.4 11.8 0.5 CB B:LYS54 4.4 11.1 0.5 O B:LEU55 4.5 9.6 1.0 CD1 B:LEU55 4.5 13.7 1.0 N B:LYS54 4.7 10.8 1.0 CZ B:PHE32 4.8 15.3 1.0 O B:HOH622 4.8 42.8 1.0 C B:LEU55 4.8 10.5 1.0 C B:VAL53 4.9 11.4 1.0 CG B:LYS54 4.9 13.5 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