Chlorine in PDB 1lbc: Crystal Structure of GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution

The structure of Crystal Structure of GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution, PDB code: 1lbc was solved by Y.Sun, R.Olson, M.Horning, N.Armstrong, M.Mayer, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	114.859, 162.571, 47.198, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 24.3

The structure of Crystal Structure of GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

5 atoms

The binding sites of Chlorine atom in the Crystal Structure of GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution (pdb code 1lbc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution, PDB code: 1lbc:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A 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 GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl330 b:21.1 occ:1.00 CL A:CYZ330 0.0 21.1 1.0 C13 A:CYZ330 1.7 17.8 1.0 C14 A:CYZ330 2.8 16.7 1.0 C12 A:CYZ330 2.8 19.1 1.0 N A:ASP248 3.0 16.1 1.0 O4 A:CYZ330 3.1 23.3 1.0 CA A:ASP248 3.3 16.7 1.0 C A:LEU247 3.3 15.7 1.0 CB A:LEU247 3.3 13.2 1.0 O A:HOH346 3.4 16.8 1.0 S2 A:CYZ330 3.4 19.4 1.0 CB A:ASP248 3.6 18.4 1.0 O A:LEU247 3.8 15.8 1.0 CA A:LEU247 3.9 14.3 1.0 O A:HOH408 3.9 19.0 1.0 N3 A:CYZ330 4.0 22.1 1.0 C10 A:CYZ330 4.2 16.9 1.0 C11 A:CYZ330 4.2 17.5 1.0 O C:HOH333 4.4 25.9 1.0 CG A:LEU247 4.6 14.0 1.0 N A:LEU247 4.7 14.4 1.0 CD1 A:LEU247 4.7 11.3 1.0 C9 A:CYZ330 4.7 17.6 1.0 C A:ASP248 4.8 17.1 1.0 O C:HOH357 4.8 47.3 1.0 O3 A:CYZ330 4.8 23.1 1.0 CB C:SER217 4.8 19.8 1.0 O A:PHE106 4.9 11.7 1.0 OG C:SER217 5.0 22.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A 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 GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl329 b:20.5 occ:1.00 CL B:CYZ329 0.0 20.5 1.0 C13 B:CYZ329 1.7 17.2 1.0 C14 B:CYZ329 2.7 15.2 1.0 C12 B:CYZ329 2.9 15.9 1.0 N B:ASP248 3.0 16.7 1.0 O4 B:CYZ329 3.2 16.1 1.0 O B:HOH417 3.2 14.6 1.0 CB B:LEU247 3.3 11.6 1.0 CA B:ASP248 3.4 19.5 1.0 C B:LEU247 3.4 14.9 1.0 S2 B:CYZ329 3.5 17.1 1.0 CB B:ASP248 3.8 25.4 1.0 CA B:LEU247 3.9 13.6 1.0 O B:HOH431 3.9 17.4 1.0 O B:LEU247 3.9 13.5 1.0 N3 B:CYZ329 4.0 17.0 1.0 C10 B:CYZ329 4.2 14.3 1.0 C11 B:CYZ329 4.3 13.6 1.0 OD1 B:ASP248 4.5 36.8 1.0 CG B:LEU247 4.5 13.4 1.0 CD1 B:LEU247 4.6 9.8 1.0 N B:LEU247 4.6 13.5 1.0 C9 B:CYZ329 4.7 13.1 1.0 CG B:ASP248 4.7 32.4 1.0 C B:ASP248 4.8 18.7 1.0 O B:PHE106 4.9 10.1 1.0 O3 B:CYZ329 4.9 16.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A 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 GLUR2 Ligand Binding Core (S1S2J- N775S) in Complex with Cyclothiazide (Ctz) As Well As Glutamate at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl331 b:24.1 occ:1.00 CL C:CYZ331 0.0 24.1 1.0 C13 C:CYZ331 1.7 19.0 1.0 C14 C:CYZ331 2.8 19.0 1.0 C12 C:CYZ331 2.8 20.7 1.0 N C:ASP248 3.0 19.0 1.0 O4 C:CYZ331 3.1 25.2 1.0 CA C:ASP248 3.3 19.9 1.0 C C:LEU247 3.3 18.2 1.0 CB C:LEU247 3.3 16.8 1.0 O C:HOH392 3.4 21.0 1.0 S2 C:CYZ331 3.4 21.3 1.0 O C:HOH393 3.6 17.8 1.0 CB C:ASP248 3.7 20.5 1.0 O C:LEU247 3.7 16.7 1.0 N3 C:CYZ331 3.9 20.8 1.0 CA C:LEU247 3.9 17.2 1.0 C11 C:CYZ331 4.2 16.9 1.0 C10 C:CYZ331 4.2 17.4 1.0 CG C:LEU247 4.6 16.6 1.0 C9 C:CYZ331 4.7 17.3 1.0 C C:ASP248 4.7 20.1 1.0 CD1 C:LEU247 4.7 15.4 1.0 O C:PHE106 4.8 11.0 1.0 N C:LEU247 4.8 17.9 1.0 O3 C:CYZ331 4.8 21.2 1.0 CB A:SER217 4.9 19.1 1.0

Y.Sun, R.Olson, M.Horning, N.Armstrong, M.Mayer, E.Gouaux. Mechanism of Glutamate Receptor Desensitization. Nature V. 417 245 2002.
ISSN: ISSN 0028-0836
PubMed: 12015593
DOI: 10.1038/417245A