Chlorine in PDB 8bsu: Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution

The structure of Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution, PDB code: 8bsu was solved by R.Venskutonyte, K.Frydenvang, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.33 / 2.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	83.145, 100.559, 132.826, 90, 103.93, 90
R / Rfree (%)	20.7 / 23.5

The structure of Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution also contains other interesting chemical elements:

Fluorine	(F)	8 atoms
Zinc	(Zn)	20 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 22;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution (pdb code 8bsu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 22 binding sites of Chlorine where determined in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution, PDB code: 8bsu:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 22 in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A 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 Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:25.8 occ:1.00 O A:HOH403 2.9 24.5 1.0 NZ A:LYS105 3.1 23.3 1.0 NH2 D:ARG228 3.3 25.8 1.0 NZ D:LYS105 3.6 24.4 1.0 NH2 A:ARG228 3.6 25.9 1.0 CG D:LYS105 3.9 22.1 1.0 CZ D:ARG228 4.0 26.0 1.0 CG A:LYS105 4.1 21.9 1.0 O D:PHE103 4.1 22.9 1.0 NE D:ARG228 4.1 25.2 1.0 O A:PHE103 4.1 24.9 1.0 CE A:LYS105 4.2 22.9 1.0 CD A:LYS105 4.2 22.0 1.0 CZ A:ARG228 4.2 26.5 1.0 NE A:ARG228 4.3 26.1 1.0 CE D:LYS105 4.4 24.2 1.0 N D:LYS105 4.5 20.2 1.0 N A:LYS105 4.6 21.1 1.0 OG1 A:THR232 4.7 22.7 1.0 OG1 D:THR232 4.8 23.1 1.0 CD D:LYS105 4.8 23.1 1.0 C D:SER104 4.8 21.6 1.0 C A:SER104 4.8 23.0 1.0 CA D:LYS105 4.8 20.3 1.0 CA A:LYS105 4.9 20.8 1.0 CB D:LYS105 5.0 21.2 1.0

Chlorine binding site 2 out of 22 in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A 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 Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:51.4 occ:1.00 N A:LEU57 3.9 37.6 1.0 NH2 A:ARG33 3.9 45.1 1.0 NH1 A:ARG33 3.9 48.2 1.0 CB A:LEU57 4.3 38.5 1.0 CZ A:ARG33 4.4 46.7 1.0 O A:LEU57 4.5 39.5 1.0 CA A:ARG56 4.5 37.9 1.0 CA A:LEU57 4.6 37.0 1.0 CG A:LEU57 4.6 38.2 1.0 C A:ARG56 4.7 36.8 1.0 CD1 A:LEU57 4.9 40.1 1.0 CB A:ARG56 5.0 38.8 1.0

Chlorine binding site 3 out of 22 in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A 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 the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:37.2 occ:1.00 O D:HOH416 3.0 25.8 1.0 N A:THR109 3.0 22.5 1.0 OG1 A:THR109 3.4 23.9 1.0 CA A:MET108 3.5 23.3 1.0 CG A:MET108 3.7 24.4 1.0 CAH A:2J9301 3.7 22.6 1.0 C A:MET108 3.8 23.1 1.0 CA A:THR109 4.0 22.6 1.0 CB A:THR109 4.1 23.1 1.0 CB A:MET108 4.1 23.7 1.0 O A:THR109 4.1 23.7 1.0 CG2 A:THR109 4.2 22.8 1.0 CAG A:2J9301 4.2 22.6 1.0 C A:THR109 4.6 23.1 1.0 O A:PHE107 4.6 23.2 1.0 N A:MET108 4.6 22.9 1.0 NZ A:LYS248 4.7 30.6 1.0 OG D:SER214 4.9 24.9 1.0 O A:MET108 5.0 22.7 1.0

Chlorine binding site 4 out of 22 in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A 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 the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:32.2 occ:1.00 NZ C:LYS105 3.3 26.5 1.0 NH2 B:ARG228 3.4 31.2 1.0 NZ B:LYS105 3.4 28.3 1.0 CG C:LYS105 3.7 25.1 1.0 CG B:LYS105 3.8 25.3 1.0 NH1 C:ARG228 3.9 31.2 1.0 CZ B:ARG228 4.1 31.8 1.0 O B:PHE103 4.1 27.8 1.0 O C:PHE103 4.1 29.0 1.0 CE C:LYS105 4.2 25.7 1.0 NE B:ARG228 4.3 30.8 1.0 CE B:LYS105 4.3 27.6 1.0 CZ C:ARG228 4.3 32.2 1.0 N C:LYS105 4.4 25.1 1.0 OG1 C:THR232 4.5 28.1 1.0 N B:LYS105 4.5 23.5 1.0 CD C:LYS105 4.6 25.3 1.0 NE C:ARG228 4.7 32.6 1.0 CD C:ARG228 4.7 32.0 1.0 CD B:LYS105 4.7 26.2 1.0 C C:SER104 4.7 26.4 1.0 CA C:LYS105 4.8 24.4 1.0 CB C:LYS105 4.8 24.7 1.0 C B:SER104 4.8 25.1 1.0 OG1 B:THR232 4.9 25.1 1.0 CA B:LYS105 4.9 23.2 1.0 NH2 C:ARG228 5.0 33.0 1.0 CB B:LYS105 5.0 24.0 1.0

Chlorine binding site 5 out of 22 in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:35.9 occ:1.00 N B:THR109 3.0 23.6 1.0 OG1 B:THR109 3.1 24.9 1.0 CA B:MET108 3.7 24.2 1.0 CAH B:2J9301 3.7 23.4 1.0 CB B:THR109 3.8 24.7 1.0 C B:MET108 3.8 24.3 1.0 CG2 B:THR109 3.8 25.2 1.0 CA B:THR109 3.9 23.9 1.0 CAG B:2J9301 4.0 23.4 1.0 CG B:MET108 4.0 23.8 1.0 O B:THR109 4.1 23.4 1.0 CB B:MET108 4.3 23.8 1.0 OG C:SER214 4.4 24.5 1.0 C B:THR109 4.5 23.5 1.0 N B:MET108 4.8 24.4 1.0 O B:PHE107 4.8 22.6 1.0 O B:MET108 5.0 24.1 1.0 CB C:SER214 5.0 24.4 1.0

Chlorine binding site 6 out of 22 in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl307 b:51.5 occ:1.00 N B:THR132 3.0 45.0 1.0 N B:LYS133 3.3 44.4 1.0 OG1 B:THR132 3.5 48.2 1.0 CG B:LYS133 3.5 48.2 1.0 CB B:GLN131 3.6 44.7 1.0 CA B:GLN131 3.7 45.1 1.0 CB B:LYS133 3.9 46.0 1.0 C B:GLN131 3.9 44.5 1.0 CA B:THR132 3.9 44.8 1.0 C B:THR132 4.0 44.9 1.0 OE1 B:GLN131 4.1 43.1 1.0 CA B:LYS133 4.2 44.6 1.0 CB B:THR132 4.3 46.5 1.0 CD B:LYS133 4.7 49.1 1.0 CG B:GLN131 4.8 42.8 1.0 CD B:GLN131 4.8 42.2 1.0

Chlorine binding site 7 out of 22 in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl308 b:48.8 occ:1.00 N B:GLY119 3.4 39.0 1.0 CB B:LYS118 3.7 36.1 1.0 CG B:LYS118 3.8 34.6 1.0 CA B:LYS118 3.9 35.5 1.0 C B:LYS118 4.2 37.3 1.0 CA B:GLY119 4.3 41.0 1.0 CD B:LYS118 4.3 35.5 1.0 CG2 B:THR206 4.8 32.7 1.0 CE B:LYS118 5.0 34.4 1.0

Chlorine binding site 8 out of 22 in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl306 b:44.8 occ:1.00 NE1 C:TRP160 3.2 36.7 1.0 CD1 C:TRP160 4.0 35.7 1.0 CE2 C:TRP160 4.1 36.6 1.0 CZ2 C:TRP160 4.5 37.5 1.0 OG C:SER164 4.7 43.1 1.0 CB C:SER164 4.8 43.5 1.0

Chlorine binding site 9 out of 22 in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl307 b:52.2 occ:1.00 OG1 C:THR132 3.3 49.2 1.0 N C:THR132 4.0 45.2 1.0 CA C:GLN131 4.4 44.9 1.0 CB C:THR132 4.5 47.7 1.0 C C:GLN131 4.7 45.4 1.0 CB C:GLN131 4.7 45.4 1.0 CA C:THR132 4.9 46.2 1.0 O C:LYS130 4.9 49.8 1.0

Chlorine binding site 10 out of 22 in the Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of the Kainate Receptor GLUK3-H523A Ligand Binding Domain in Complex with Kainate and the Positive Allosteric Modulator BPAM344 at 2.9A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl308 b:35.6 occ:1.00 O C:HOH409 3.7 37.2 1.0 N C:TYR63 3.8 34.3 1.0 CB C:LYS62 4.2 38.3 1.0 O C:ASP141 4.2 34.0 1.0 O C:LYS140 4.3 38.2 1.0 CA C:LYS62 4.4 37.5 1.0 CD1 C:TYR63 4.4 32.1 1.0 CB C:TYR63 4.5 31.2 1.0 CG C:LYS62 4.5 40.2 1.0 C C:ASP141 4.6 34.3 1.0 C C:LYS62 4.6 35.7 1.0 CA C:TYR63 4.7 32.7 1.0 N C:GLY64 4.7 33.9 1.0 N C:GLY142 4.9 32.8 1.0 CB C:ASP141 4.9 37.7 1.0 CG C:TYR63 4.9 31.1 1.0 CA C:GLY142 4.9 31.3 1.0

Y.Bay, R.Venskutonyte, S.M.Frantsen, T.S.Thorsen, M.Musgaard, K.Frydenvang, P.Francotte, B.Pirotte, P.C.Biggin, A.S.Kristensen, T.Boesen, D.S.Pickering, M.Gajhede, J.S.Kastrup. Positive Allosteric Modulation of Homomeric Kainate Receptors GLUK1-3 To Be Published.