Chlorine in PDB 3c31: Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Lithium at 1.49 Angstrom Resolution

The structure of Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Lithium at 1.49 Angstrom Resolution, PDB code: 3c31 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)	34.88 / 1.49
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	70.529, 70.529, 234.128, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 19

The binding sites of Chlorine atom in the Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Lithium at 1.49 Angstrom Resolution (pdb code 3c31). 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 Lithium at 1.49 Angstrom Resolution, PDB code: 3c31:
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 Lithium at 1.49 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 Lithium at 1.49 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:17.8 occ:1.00 O A:HOH457 2.8 24.2 1.0 O B:HOH782 2.9 24.5 1.0 NZ A:LYS103 3.2 7.0 1.0 NZ B:LYS103 3.2 8.2 1.0 CG A:LYS103 3.8 9.9 1.0 CG B:LYS103 3.8 8.9 1.0 NH1 B:ARG227 3.9 12.8 1.0 NH1 A:ARG227 4.0 16.3 1.0 CE B:LYS103 4.1 9.2 1.0 O B:PHE101 4.1 5.6 1.0 O A:PHE101 4.1 7.0 1.0 CE A:LYS103 4.1 7.8 1.0 CZ B:ARG227 4.3 16.2 1.0 CZ A:ARG227 4.4 18.0 1.0 N A:LYS103 4.5 7.8 1.0 N B:LYS103 4.5 5.4 1.0 CD A:LYS103 4.5 11.0 1.0 CD B:LYS103 4.5 8.6 1.0 CD B:ARG227 4.6 14.0 1.0 NE B:ARG227 4.6 13.8 1.0 CD A:ARG227 4.6 17.0 1.0 NE A:ARG227 4.6 17.6 1.0 O B:HOH916 4.6 37.3 1.0 O B:HOH900 4.7 31.8 1.0 OG1 A:THR231 4.7 7.6 1.0 OG1 B:THR231 4.8 5.9 1.0 C A:SER102 4.8 8.5 1.0 C B:SER102 4.8 5.8 1.0 CA A:LYS103 4.9 8.7 1.0 CA B:LYS103 4.9 5.9 1.0 CB A:LYS103 4.9 8.0 1.0 CB B:LYS103 5.0 6.1 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Lithium at 1.49 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 Lithium at 1.49 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:28.9 occ:1.00 O A:HOH722 2.4 31.9 1.0 N A:LEU55 3.1 7.5 1.0 NH1 A:ARG31 3.2 8.7 0.5 O A:HOH406 3.3 36.7 1.0 NH2 A:ARG31 3.4 7.1 0.5 O A:HOH413 3.6 27.2 1.0 CA A:LYS54 3.6 9.5 1.0 NH2 A:ARG31 3.7 9.6 0.5 NH1 A:ARG31 3.7 10.8 0.5 CZ A:ARG31 3.8 9.8 0.5 C A:LYS54 3.8 8.6 1.0 CZ A:ARG31 3.9 11.0 0.5 CB A:LEU55 3.9 7.1 1.0 CG A:LEU55 4.0 7.1 1.0 CA A:LEU55 4.0 7.4 1.0 O A:VAL53 4.2 10.3 1.0 CB A:LYS54 4.5 11.2 1.0 CZ A:PHE32 4.5 12.3 1.0 CD1 A:LEU55 4.5 7.6 1.0 O A:LEU55 4.6 8.7 1.0 CD A:LYS54 4.6 25.5 1.0 N A:LYS54 4.7 10.2 1.0 NE A:ARG31 4.8 10.4 0.5 NZ A:LYS54 4.8 30.5 1.0 C A:LEU55 4.9 7.9 1.0 C A:VAL53 4.9 9.6 1.0 CE2 A:PHE32 5.0 9.3 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Lithium at 1.49 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 Lithium at 1.49 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:21.3 occ:1.00 O A:HOH759 3.1 16.8 1.0 O A:HOH712 4.4 23.2 1.0 O A:HOH472 4.5 15.7 1.0 O A:HOH414 4.8 11.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of GLUR5 Ligand-Binding Core in Complex with Lithium at 1.49 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 Lithium at 1.49 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:13.3 occ:1.00 NZ B:LYS75 3.1 9.4 1.0 O B:HOH827 3.2 20.1 1.0 O B:HOH804 3.3 16.1 1.0 N B:TRP70 3.3 5.5 1.0 CE B:LYS75 3.7 6.9 1.0 CD1 B:TRP70 3.8 6.9 1.0 CB B:TRP70 3.9 5.2 1.0 CA B:GLU69 3.9 8.0 1.0 CD B:LYS75 3.9 5.5 1.0 CG B:GLU69 4.1 8.4 1.0 C B:GLU69 4.1 7.3 1.0 CA B:TRP70 4.2 5.1 1.0 CG B:TRP70 4.3 6.5 1.0 CD1 B:ILE78 4.3 5.9 1.0 CB B:GLU69 4.5 7.6 1.0 CG2 B:ILE78 4.5 5.6 1.0 O B:GLY68 4.7 13.4 1.0 O B:TRP70 4.7 5.3 1.0 O B:HOH751 4.8 17.9 1.0 C B:TRP70 4.9 4.7 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