Chlorine in PDB 3il1: Crystal Structure of the Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Idra-21

The structure of Crystal Structure of the Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Idra-21, PDB code: 3il1 was solved by A.H.Ahmed, C.P.Ptak, R.E.Oswald, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.02 / 2.00
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.327, 114.711, 165.366, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 23.4

The structure of Crystal Structure of the Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Idra-21 also contains other interesting chemical elements:

Zinc

(Zn)

5 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Idra-21 (pdb code 3il1). 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 Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Idra-21, PDB code: 3il1:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Idra-21


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 Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Idra-21 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:0.0 occ:1.00 CL1 B:B5D801 0.0 0.0 1.0 C4 B:B5D801 1.7 0.0 1.0 C3 B:B5D801 2.7 0.0 1.0 C6 B:B5D801 2.7 0.0 1.0 CB E:SER108 3.1 28.6 1.0 O E:LYS218 3.2 20.4 1.0 CA E:SER108 3.4 26.0 1.0 O E:HOH358 3.6 28.4 1.0 CL1 B:B5D262 3.7 0.0 1.0 C6 B:B5D262 3.7 0.0 1.0 C4 B:B5D262 3.7 0.0 1.0 C E:LYS218 3.9 23.0 1.0 C2 B:B5D801 4.0 0.0 1.0 C5 B:B5D801 4.0 0.0 1.0 O E:HOH490 4.0 32.9 1.0 CA E:GLY219 4.1 22.2 1.0 N E:SER108 4.2 22.3 1.0 O B:HOH461 4.2 34.8 1.0 O E:MET107 4.3 20.6 1.0 N E:GLY219 4.3 18.8 1.0 OG E:SER108 4.4 40.6 1.0 CG E:PRO105 4.5 21.3 1.0 CB E:PRO105 4.5 21.3 1.0 C E:MET107 4.5 26.5 1.0 C5 B:B5D262 4.5 0.0 1.0 C1 B:B5D801 4.5 0.0 1.0 C3 B:B5D262 4.5 0.0 1.0 C E:SER108 4.7 29.9 1.0 N E:LEU109 4.8 22.2 1.0 CA E:LYS218 4.8 23.6 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Idra-21


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 Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Idra-21 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl262 b:0.0 occ:1.00 CL1 B:B5D262 0.0 0.0 1.0 C4 B:B5D262 1.7 0.0 1.0 C3 B:B5D262 2.7 0.0 1.0 C6 B:B5D262 2.7 0.0 1.0 CB B:SER108 2.9 26.6 1.0 O B:LYS218 3.0 20.1 1.0 O B:HOH330 3.2 27.1 1.0 CA B:SER108 3.3 24.3 1.0 CL1 B:B5D801 3.7 0.0 1.0 C4 B:B5D801 3.7 0.0 1.0 C B:LYS218 3.7 21.6 1.0 O E:HOH490 3.7 32.9 1.0 C6 B:B5D801 3.8 0.0 1.0 C2 B:B5D262 4.0 0.0 1.0 C5 B:B5D262 4.0 0.0 1.0 CA B:GLY219 4.0 22.6 1.0 N B:SER108 4.1 17.8 1.0 N B:GLY219 4.2 19.0 1.0 OG B:SER108 4.2 32.9 1.0 O B:MET107 4.3 20.4 1.0 O B:HOH461 4.4 34.8 1.0 C1 B:B5D262 4.5 0.0 1.0 C3 B:B5D801 4.5 0.0 1.0 C B:SER108 4.5 22.6 1.0 CB B:PRO105 4.5 19.9 1.0 C B:MET107 4.5 22.6 1.0 CG B:PRO105 4.6 24.4 1.0 C5 B:B5D801 4.6 0.0 1.0 N B:LEU109 4.6 24.0 1.0 CA B:LYS218 4.7 24.9 1.0 N B:LYS218 5.0 22.7 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Idra-21


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 Ampa Subunit GLUR2 Bound to the Allosteric Modulator, Idra-21 within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl801 b:0.0 occ:1.00 CL1 H:B5D801 0.0 0.0 1.0 C4 H:B5D801 1.7 0.0 1.0 C3 H:B5D801 2.7 0.0 1.0 C6 H:B5D801 2.7 0.0 1.0 C2 H:B5D801 4.0 0.0 1.0 C5 H:B5D801 4.0 0.0 1.0 C1 H:B5D801 4.5 0.0 1.0 O H:HOH803 4.5 39.3 1.0

C.P.Ptak, A.H.Ahmed, R.E.Oswald. Probing the Allosteric Modulator Binding Site of GLUR2 with Thiazide Derivatives Biochemistry V. 48 8594 2009.
ISSN: ISSN 0006-2960
PubMed: 19673491
DOI: 10.1021/BI901127S