Chlorine in PDB 4gxs: Ligand Binding Domain of GLUA2 (Ampa/Glutamate Receptor) Bound to (-)- Kaitocephalin

The structure of Ligand Binding Domain of GLUA2 (Ampa/Glutamate Receptor) Bound to (-)- Kaitocephalin, PDB code: 4gxs was solved by A.H.Ahmed, R.E.Oswald, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.39 / 1.96
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	96.741, 121.466, 48.899, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 22.5

The structure of Ligand Binding Domain of GLUA2 (Ampa/Glutamate Receptor) Bound to (-)- Kaitocephalin also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

The binding sites of Chlorine atom in the Ligand Binding Domain of GLUA2 (Ampa/Glutamate Receptor) Bound to (-)- Kaitocephalin (pdb code 4gxs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Ligand Binding Domain of GLUA2 (Ampa/Glutamate Receptor) Bound to (-)- Kaitocephalin, PDB code: 4gxs:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Ligand Binding Domain of GLUA2 (Ampa/Glutamate Receptor) Bound to (-)- Kaitocephalin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ligand Binding Domain of GLUA2 (Ampa/Glutamate Receptor) Bound to (-)- Kaitocephalin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:56.1 occ:1.00 CL1 B:0YS301 0.0 56.1 1.0 C15 B:0YS301 1.8 52.1 1.0 C16 B:0YS301 2.8 48.2 1.0 C14 B:0YS301 2.9 51.0 1.0 OG B:SER142 3.0 54.3 1.0 O6 B:0YS301 3.1 55.7 1.0 CG2 B:THR93 3.3 32.8 1.0 O B:HOH550 3.4 55.1 1.0 CB B:THR91 3.6 31.8 1.0 O2 B:0YS301 3.7 42.7 1.0 NH1 B:ARG96 3.8 29.6 1.0 O B:HOH474 3.9 39.2 1.0 CG2 B:THR91 3.9 30.8 1.0 O B:0YS301 4.0 36.7 1.0 C1 B:0YS301 4.0 36.0 1.0 OG1 B:THR91 4.1 34.5 1.0 O B:HOH514 4.1 44.9 1.0 CB B:SER142 4.1 45.3 1.0 C11 B:0YS301 4.1 50.5 1.0 C13 B:0YS301 4.2 55.7 1.0 CZ B:ARG96 4.2 34.9 1.0 O1 B:0YS301 4.3 34.4 1.0 NH2 B:ARG96 4.4 32.7 1.0 CB B:THR93 4.7 29.2 1.0 C12 B:0YS301 4.7 49.2 1.0 C2 B:0YS301 4.8 40.1 1.0 CA B:THR91 4.9 28.8 1.0 O B:THR91 4.9 25.8 1.0 O B:HOH481 4.9 47.8 1.0 OG1 B:THR93 5.0 32.8 1.0

Chlorine binding site 2 out of 4 in the Ligand Binding Domain of GLUA2 (Ampa/Glutamate Receptor) Bound to (-)- Kaitocephalin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ligand Binding Domain of GLUA2 (Ampa/Glutamate Receptor) Bound to (-)- Kaitocephalin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:68.9 occ:1.00 CL B:0YS301 0.0 68.9 1.0 C13 B:0YS301 1.8 55.7 1.0 C14 B:0YS301 2.8 51.0 1.0 C12 B:0YS301 2.8 49.2 1.0 O6 B:0YS301 3.0 55.7 1.0 O D:HOH617 3.5 59.5 1.0 CG B:GLU145 3.5 50.0 1.0 CB B:GLU145 3.6 44.6 1.0 O B:HOH481 3.9 47.8 1.0 C15 B:0YS301 4.2 52.1 1.0 C11 B:0YS301 4.2 50.5 1.0 CA B:SER142 4.3 44.5 1.0 NH2 B:ARG149 4.3 69.3 1.0 O B:GLY141 4.6 41.2 1.0 C16 B:0YS301 4.7 48.2 1.0 N B:SER142 4.8 44.1 1.0 C B:GLY141 4.8 43.5 1.0 O B:HOH479 4.9 51.0 1.0 CD B:GLU145 5.0 55.2 1.0

Chlorine binding site 3 out of 4 in the Ligand Binding Domain of GLUA2 (Ampa/Glutamate Receptor) Bound to (-)- Kaitocephalin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ligand Binding Domain of GLUA2 (Ampa/Glutamate Receptor) Bound to (-)- Kaitocephalin within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:48.9 occ:1.00 CL1 D:0YS301 0.0 48.9 1.0 C15 D:0YS301 1.8 46.6 1.0 C16 D:0YS301 2.8 43.8 1.0 C14 D:0YS301 2.9 48.5 1.0 OG D:SER142 3.0 52.0 1.0 O6 D:0YS301 3.1 53.2 1.0 CG2 D:THR93 3.4 30.8 1.0 NH1 D:ARG96 3.5 26.4 1.0 O D:HOH474 3.7 36.2 1.0 O2 D:0YS301 3.7 35.2 1.0 CB D:THR91 3.7 24.4 1.0 CZ D:ARG96 3.8 27.8 1.0 CB D:SER142 3.9 37.1 1.0 O D:0YS301 3.9 29.8 1.0 NH2 D:ARG96 4.0 24.4 1.0 C1 D:0YS301 4.1 31.4 1.0 C11 D:0YS301 4.1 45.2 1.0 C13 D:0YS301 4.2 51.9 1.0 OG1 D:THR91 4.2 31.5 1.0 CG2 D:THR91 4.2 28.3 1.0 O1 D:0YS301 4.2 29.5 1.0 NE D:ARG96 4.6 26.3 1.0 C12 D:0YS301 4.7 49.8 1.0 O D:HOH484 4.7 43.3 1.0 CB D:THR93 4.7 27.1 1.0 O D:THR91 4.8 20.6 1.0 CA D:SER142 4.8 35.4 1.0 OG1 D:THR93 4.9 29.2 1.0 C2 D:0YS301 4.9 34.0 1.0 CA D:THR91 4.9 21.9 1.0

Chlorine binding site 4 out of 4 in the Ligand Binding Domain of GLUA2 (Ampa/Glutamate Receptor) Bound to (-)- Kaitocephalin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Ligand Binding Domain of GLUA2 (Ampa/Glutamate Receptor) Bound to (-)- Kaitocephalin within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:70.6 occ:1.00 CL D:0YS301 0.0 70.6 1.0 C13 D:0YS301 1.8 51.9 1.0 C14 D:0YS301 2.8 48.5 1.0 C12 D:0YS301 2.8 49.8 1.0 O6 D:0YS301 3.0 53.2 1.0 CG D:GLU145 3.1 52.8 1.0 CB D:GLU145 3.5 39.5 1.0 C15 D:0YS301 4.2 46.6 1.0 C11 D:0YS301 4.2 45.2 1.0 NH2 D:ARG149 4.4 62.3 1.0 CD D:GLU145 4.4 59.3 1.0 O D:GLY141 4.4 33.2 1.0 CA D:SER142 4.7 35.4 1.0 C16 D:0YS301 4.7 43.8 1.0 OE1 D:GLU145 4.8 56.6 1.0 O D:HOH474 4.8 36.2 1.0 C D:GLY141 4.9 36.9 1.0

A.H.Ahmed, M.Hamada, T.Shinada, Y.Ohfune, L.Weerasinghe, P.P.Garner, R.E.Oswald. The Structure of (-)-Kaitocephalin Bound to the Ligand Binding Domain of the (S)-Alpha-Amino-3-Hydroxy-5-Methyl-4-Isoxazolepropionic Acid (Ampa)/Glutamate Receptor, GLUA2. J.Biol.Chem. V. 287 41007 2012.
ISSN: ISSN 0021-9258
PubMed: 23076153
DOI: 10.1074/JBC.M112.416362