Chlorine in PDB 3h6t: Crystal Structure of the IGLUR2 Ligand-Binding Core (S1S2J-N754S) in Complex with Glutamate and Cyclothiazide at 2.25 A Resolution

The structure of Crystal Structure of the IGLUR2 Ligand-Binding Core (S1S2J-N754S) in Complex with Glutamate and Cyclothiazide at 2.25 A Resolution, PDB code: 3h6t was solved by H.Hald, M.Gajhede, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.84 / 2.25
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	114.486, 163.136, 47.354, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 22.8

The structure of Crystal Structure of the IGLUR2 Ligand-Binding Core (S1S2J-N754S) in Complex with Glutamate and Cyclothiazide at 2.25 A Resolution also contains other interesting chemical elements:

Arsenic	(As)	1 atom
Zinc	(Zn)	10 atoms

The binding sites of Chlorine atom in the Crystal Structure of the IGLUR2 Ligand-Binding Core (S1S2J-N754S) in Complex with Glutamate and Cyclothiazide at 2.25 A Resolution (pdb code 3h6t). 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 the IGLUR2 Ligand-Binding Core (S1S2J-N754S) in Complex with Glutamate and Cyclothiazide at 2.25 A Resolution, PDB code: 3h6t:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the IGLUR2 Ligand-Binding Core (S1S2J-N754S) in Complex with Glutamate and Cyclothiazide at 2.25 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 the IGLUR2 Ligand-Binding Core (S1S2J-N754S) in Complex with Glutamate and Cyclothiazide at 2.25 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl265 b:22.4 occ:1.00 CL A:CYZ265 0.0 22.4 1.0 C13 A:CYZ265 1.5 18.5 1.0 C14 A:CYZ265 2.5 19.0 1.0 C12 A:CYZ265 2.5 20.6 1.0 O4 A:CYZ265 2.8 21.0 1.0 S2 A:CYZ265 3.1 24.4 1.0 N A:ASP248 3.4 21.2 1.0 N3 A:CYZ265 3.4 19.6 1.0 CB A:LEU247 3.5 17.5 1.0 O C:HOH951 3.7 36.4 1.0 CA A:ASP248 3.7 25.7 1.0 C A:LEU247 3.7 19.7 1.0 O A:HOH284 3.7 21.1 1.0 C11 A:CYZ265 3.8 21.8 1.0 C10 A:CYZ265 3.8 20.3 1.0 O A:HOH281 3.9 27.7 1.0 CB A:ASP248 4.0 30.4 1.0 O A:LEU247 4.2 18.9 1.0 CA A:LEU247 4.3 18.7 1.0 C9 A:CYZ265 4.3 20.4 1.0 O3 A:CYZ265 4.6 22.1 1.0 CB C:SER217 4.6 20.1 1.0 O A:PHE106 4.7 14.8 1.0 CD1 A:LEU247 4.7 15.9 1.0 CG A:LEU247 4.8 17.9 1.0 OD1 A:ASP248 4.9 41.3 1.0 N2 A:CYZ265 4.9 18.0 1.0 OG C:SER217 5.0 27.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the IGLUR2 Ligand-Binding Core (S1S2J-N754S) in Complex with Glutamate and Cyclothiazide at 2.25 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 the IGLUR2 Ligand-Binding Core (S1S2J-N754S) in Complex with Glutamate and Cyclothiazide at 2.25 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl265 b:21.4 occ:1.00 CL B:CYZ265 0.0 21.4 1.0 C13 B:CYZ265 1.5 20.4 1.0 C12 B:CYZ265 2.5 18.4 1.0 C14 B:CYZ265 2.5 19.6 1.0 O4 B:CYZ265 2.7 16.4 1.0 S2 B:CYZ265 3.1 17.4 1.0 N B:ASP248 3.4 21.0 1.0 N3 B:CYZ265 3.4 15.1 1.0 O B:HOH369 3.6 26.0 1.0 O B:HOH280 3.6 14.2 1.0 CA B:ASP248 3.6 22.2 1.0 CB B:LEU247 3.7 17.4 1.0 C B:LEU247 3.8 18.8 1.0 C10 B:CYZ265 3.8 21.1 1.0 C11 B:CYZ265 3.8 18.8 1.0 CB B:ASP248 3.9 25.4 1.0 O B:HOH429 4.0 18.8 1.0 O B:LEU247 4.1 18.3 1.0 C9 B:CYZ265 4.3 19.8 1.0 CA B:LEU247 4.4 19.2 1.0 O3 B:CYZ265 4.6 16.7 1.0 OD1 B:ASP248 4.7 31.9 1.0 CG B:ASP248 4.8 30.6 1.0 CD1 B:LEU247 4.9 16.8 1.0 O B:PHE106 4.9 13.1 1.0 CG B:LEU247 4.9 17.2 1.0 N2 B:CYZ265 5.0 19.0 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the IGLUR2 Ligand-Binding Core (S1S2J-N754S) in Complex with Glutamate and Cyclothiazide at 2.25 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 the IGLUR2 Ligand-Binding Core (S1S2J-N754S) in Complex with Glutamate and Cyclothiazide at 2.25 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl265 b:20.7 occ:1.00 CL C:CYZ265 0.0 20.7 1.0 C13 C:CYZ265 1.5 17.3 1.0 C14 C:CYZ265 2.5 18.1 1.0 C12 C:CYZ265 2.5 20.3 1.0 O4 C:CYZ265 2.7 20.9 1.0 S2 C:CYZ265 3.1 19.9 1.0 O2 A:GOL270 3.1 52.9 1.0 O1 A:GOL270 3.3 49.2 1.0 N3 C:CYZ265 3.5 18.9 1.0 N C:ASP248 3.5 27.9 1.0 CB C:LEU247 3.6 22.5 1.0 C1 A:GOL270 3.8 50.9 1.0 CA C:ASP248 3.8 30.3 1.0 O C:HOH273 3.8 26.9 1.0 C10 C:CYZ265 3.8 19.0 1.0 C11 C:CYZ265 3.8 19.2 1.0 C C:LEU247 3.8 26.5 1.0 O A:HOH337 3.9 23.2 1.0 C2 A:GOL270 4.0 52.8 1.0 CB C:ASP248 4.1 33.5 1.0 O C:LEU247 4.2 27.2 1.0 C9 C:CYZ265 4.3 19.2 1.0 CA C:LEU247 4.4 25.2 1.0 CB A:SER217 4.5 21.2 1.0 O3 C:CYZ265 4.5 23.8 1.0 CD1 C:LEU247 4.6 20.7 1.0 OG A:SER217 4.7 26.0 1.0 O C:PHE106 4.7 19.3 1.0 CG C:LEU247 4.8 20.9 1.0 O A:HOH462 4.9 33.7 1.0 N2 C:CYZ265 4.9 17.4 1.0 OD1 C:ASP248 5.0 40.8 1.0

H.Hald, P.K.Ahring, D.B.Timmermann, T.Liljefors, M.Gajhede, J.S.Kastrup. Distinct Structural Features of Cyclothiazide Are Responsible For Effects on Peak Current Amplitude and Desensitization Kinetics at IGLUR2. J.Mol.Biol. V. 391 906 2009.
ISSN: ISSN 0022-2836
PubMed: 19591837
DOI: 10.1016/J.JMB.2009.07.002