Chlorine in PDB 6iql: Crystal Structure of Dopamine Receptor D4 Bound to the Subtype- Selective Ligand, L745870

The structure of Crystal Structure of Dopamine Receptor D4 Bound to the Subtype- Selective Ligand, L745870, PDB code: 6iql was solved by Y.Zhou, C.Cao, X.C.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.50
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	46.700, 142.000, 146.000, 90.00, 90.00, 90.00
R / Rfree (%)	30.6 / 33.6

The binding sites of Chlorine atom in the Crystal Structure of Dopamine Receptor D4 Bound to the Subtype- Selective Ligand, L745870 (pdb code 6iql). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Dopamine Receptor D4 Bound to the Subtype- Selective Ligand, L745870, PDB code: 6iql:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Dopamine Receptor D4 Bound to the Subtype- Selective Ligand, L745870


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 Dopamine Receptor D4 Bound to the Subtype- Selective Ligand, L745870 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1201 b:0.3 occ:1.00 CL1 A:L741201 0.0 0.3 1.0 C16 A:L741201 1.8 0.7 1.0 C17 A:L741201 2.7 0.5 1.0 C15 A:L741201 2.8 0.5 1.0 O A:GLY96 3.0 0.4 1.0 CB A:TRP98 3.4 0.8 1.0 N A:TRP98 3.7 0.1 1.0 CA A:TRP98 3.9 0.0 1.0 C A:GLY96 3.9 0.5 1.0 C18 A:L741201 4.0 0.3 1.0 C14 A:L741201 4.1 0.1 1.0 CE3 A:TRP98 4.1 0.5 1.0 CG A:TRP98 4.3 0.6 1.0 C A:VAL97 4.3 0.7 1.0 CB A:SER91 4.4 0.9 1.0 CD2 A:TRP98 4.5 0.6 1.0 C13 A:L741201 4.6 0.0 1.0 N A:VAL97 4.7 0.2 1.0 CA A:GLY96 4.7 0.8 1.0 CA A:VAL97 4.7 0.9 1.0 O A:PRO177 4.8 0.1 1.0 O A:VAL97 4.9 0.8 1.0 OG A:SER91 4.9 0.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Dopamine Receptor D4 Bound to the Subtype- Selective Ligand, L745870


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 Dopamine Receptor D4 Bound to the Subtype- Selective Ligand, L745870 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1201 b:0.3 occ:1.00 CL1 B:L741201 0.0 0.3 1.0 C16 B:L741201 1.8 0.7 1.0 O B:GLY96 2.6 0.6 1.0 C17 B:L741201 2.8 0.5 1.0 C15 B:L741201 2.8 0.5 1.0 C B:GLY96 3.4 0.8 1.0 N B:CYS180 3.4 0.8 1.0 CA B:GLY96 3.7 0.3 1.0 OG B:SER91 3.9 0.7 1.0 C18 B:L741201 4.1 0.3 1.0 C14 B:L741201 4.1 0.1 1.0 CB B:TRP98 4.1 0.0 1.0 CB B:VAL179 4.1 0.2 1.0 CA B:CYS180 4.2 0.2 1.0 CB B:CYS180 4.2 0.2 1.0 CA B:VAL179 4.3 0.6 1.0 C B:CYS180 4.4 0.0 1.0 C B:VAL179 4.4 0.1 1.0 N B:VAL97 4.5 0.3 1.0 C13 B:L741201 4.6 0.0 1.0 N B:ARG181 4.6 0.2 1.0 C B:VAL97 4.8 0.6 1.0 N B:TRP98 4.8 0.8 1.0 O B:CYS180 4.8 0.4 1.0 CG1 B:VAL179 4.9 0.9 1.0 O B:VAL97 5.0 0.1 1.0

Y.Zhou, C.Cao, L.He, X.Wang, X.C.Zhang. Crystal Structure of Dopamine Receptor D4 Bound to the Subtype Selective Ligand, L745870. Elife V. 8 2019.
ISSN: ESSN 2050-084X
PubMed: 31750832
DOI: 10.7554/ELIFE.48822