Chlorine in PDB 2qs3: Crystal Structure of the GLUR5 Ligand Binding Core Dimer in Complex with UBP316 at 1.76 Angstroms Resolution

The structure of Crystal Structure of the GLUR5 Ligand Binding Core Dimer in Complex with UBP316 at 1.76 Angstroms Resolution, PDB code: 2qs3 was solved by G.M.Alushin, D.E.Jane, M.L.Mayer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.22 / 1.76
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	97.766, 97.702, 128.604, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 21.8

The binding sites of Chlorine atom in the Crystal Structure of the GLUR5 Ligand Binding Core Dimer in Complex with UBP316 at 1.76 Angstroms Resolution (pdb code 2qs3). 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 GLUR5 Ligand Binding Core Dimer in Complex with UBP316 at 1.76 Angstroms Resolution, PDB code: 2qs3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the GLUR5 Ligand Binding Core Dimer in Complex with UBP316 at 1.76 Angstroms 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 GLUR5 Ligand Binding Core Dimer in Complex with UBP316 at 1.76 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:21.9 occ:0.50 O A:HOH614 2.8 23.2 1.0 NH1 A:ARG227 3.4 22.0 1.0 NZ A:LYS103 3.7 10.9 1.0 CG A:LYS103 4.0 11.0 1.0 CE A:LYS103 4.1 11.6 1.0 O A:PHE101 4.2 12.2 1.0 CD A:ARG227 4.4 20.8 1.0 OD1 A:ASP228 4.4 23.7 1.0 CZ A:ARG227 4.6 21.9 1.0 CD A:LYS103 4.7 10.5 1.0 OG1 A:THR231 4.8 19.8 1.0 N A:LYS103 4.8 11.9 1.0 O A:HOH612 5.0 17.1 1.0 NE A:ARG227 5.0 20.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the GLUR5 Ligand Binding Core Dimer in Complex with UBP316 at 1.76 Angstroms 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 GLUR5 Ligand Binding Core Dimer in Complex with UBP316 at 1.76 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:20.9 occ:0.50 O B:HOH616 2.8 25.3 1.0 NZ B:LYS103 3.4 10.7 1.0 NH1 B:ARG227 3.5 22.5 1.0 CG B:LYS103 4.0 10.2 1.0 CE B:LYS103 4.0 10.8 1.0 OD1 B:ASP228 4.4 24.7 1.0 O B:PHE101 4.5 11.4 1.0 CD B:ARG227 4.6 21.5 1.0 CD B:LYS103 4.6 10.0 1.0 CZ B:ARG227 4.7 23.1 1.0 OG1 B:THR231 4.8 20.5 1.0 N B:LYS103 4.9 11.5 1.0

S.L.Dargan, V.R.Clarke, G.M.Alushin, J.L.Sherwood, R.Nistico, Z.A.Bortolotto, A.M.Ogden, D.Bleakman, A.J.Doherty, D.Lodge, M.L.Mayer, S.M.Fitzjohn, D.E.Jane, G.L.Collingridge. Acet Is A Highly Potent and Specific Kainate Receptor Antagonist: Characterisation and Effects on Hippocampal Mossy Fibre Function. Neuropharmacology V. 56 121 2009.
ISSN: ISSN 0028-3908
PubMed: 18789344
DOI: 10.1016/J.NEUROPHARM.2008.08.016