Chlorine in PDB 3rt8: Chlorowillardiine Bound to the Ligand Binding Domain of GLUA3

The structure of Chlorowillardiine Bound to the Ligand Binding Domain of GLUA3, PDB code: 3rt8 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)	33.80 / 2.43
Space group	P 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	49.325, 49.157, 140.478, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 27.8

The structure of Chlorowillardiine Bound to the Ligand Binding Domain of GLUA3 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Chlorowillardiine Bound to the Ligand Binding Domain of GLUA3 (pdb code 3rt8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Chlorowillardiine Bound to the Ligand Binding Domain of GLUA3, PDB code: 3rt8:

Chlorine binding site 1 out of 1 in the Chlorowillardiine Bound to the Ligand Binding Domain of GLUA3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Chlorowillardiine Bound to the Ligand Binding Domain of GLUA3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:32.8 occ:1.00 CL5 A:CWD401 0.0 32.8 1.0 C5 A:CWD401 1.8 32.1 1.0 C6 A:CWD401 2.7 31.1 1.0 C4 A:CWD401 2.8 31.3 1.0 O4 A:CWD401 3.1 29.6 1.0 O A:HOH292 3.7 31.2 1.0 OE1 A:GLU193 3.8 29.1 1.0 N1 A:CWD401 4.0 30.3 1.0 CB A:MET196 4.1 31.9 1.0 N3 A:CWD401 4.1 31.2 1.0 OG1 A:THR174 4.1 43.9 1.0 CG2 A:THR174 4.2 44.8 1.0 CB A:GLU193 4.2 28.4 1.0 CG A:MET196 4.5 36.3 1.0 N A:GLU193 4.5 27.8 1.0 CD A:GLU193 4.5 30.3 1.0 C2 A:CWD401 4.6 31.0 1.0 CG A:GLU193 4.6 29.8 1.0 OE2 A:GLU13 4.6 42.0 1.0 CB A:THR174 4.8 43.8 1.0 CB A:LEU192 4.9 29.5 1.0 CA A:GLU193 4.9 27.9 1.0

K.Poon, A.H.Ahmed, L.M.Nowak, R.E.Oswald. Mechanisms of Modal Activation of GLUA3 Receptors. Mol.Pharmacol. V. 80 49 2011.
ISSN: ISSN 0026-895X
PubMed: 21464198
DOI: 10.1124/MOL.111.071688