Chlorine in PDB 8bn5: Crystal Structure of the Ligand-Binding Domain (Lbd) of Human Iglur Delta-1 (GLUD1) in Complex with Gaba

The structure of Crystal Structure of the Ligand-Binding Domain (Lbd) of Human Iglur Delta-1 (GLUD1) in Complex with Gaba, PDB code: 8bn5 was solved by C.Heroven, T.Malinauskas, A.R.Aricescu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.35 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.838, 66.967, 175.413, 90, 90, 90
R / Rfree (%)	18.4 / 22.8

The structure of Crystal Structure of the Ligand-Binding Domain (Lbd) of Human Iglur Delta-1 (GLUD1) in Complex with Gaba also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Ligand-Binding Domain (Lbd) of Human Iglur Delta-1 (GLUD1) in Complex with Gaba (pdb code 8bn5). 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 the Ligand-Binding Domain (Lbd) of Human Iglur Delta-1 (GLUD1) in Complex with Gaba, PDB code: 8bn5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Ligand-Binding Domain (Lbd) of Human Iglur Delta-1 (GLUD1) in Complex with Gaba


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 Ligand-Binding Domain (Lbd) of Human Iglur Delta-1 (GLUD1) in Complex with Gaba within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl902 b:35.5 occ:1.00 HZ2 A:LYS534 2.3 38.0 1.0 HZ2 B:LYS534 2.4 36.4 1.0 HG3 B:LYS534 3.0 38.8 1.0 HG3 A:LYS534 3.1 40.4 1.0 O B:HOH1032 3.1 35.1 1.0 O A:HOH1043 3.1 33.2 1.0 NZ A:LYS534 3.1 31.6 1.0 NZ B:LYS534 3.2 30.3 1.0 HZ1 B:LYS534 3.3 36.4 1.0 HZ3 A:LYS534 3.3 38.0 1.0 HZ1 A:LYS534 3.5 38.0 1.0 HG2 A:LYS534 3.5 40.4 1.0 HZ3 B:LYS534 3.7 36.4 1.0 HD3 A:ARG781 3.7 43.5 1.0 CG A:LYS534 3.7 33.6 1.0 HG2 B:LYS534 3.8 38.8 1.0 HD3 B:ARG781 3.8 39.0 1.0 CG B:LYS534 3.8 32.2 1.0 O B:HOH1023 4.0 36.3 1.0 O A:HOH1060 4.1 32.5 1.0 CE B:LYS534 4.2 30.2 1.0 HE3 B:LYS534 4.2 36.3 1.0 CE A:LYS534 4.2 32.3 1.0 H B:LYS534 4.3 35.1 1.0 HE3 A:LYS534 4.3 38.8 1.0 OG B:SER785 4.3 31.8 1.0 HD2 B:ARG781 4.4 39.0 1.0 H A:LYS534 4.4 31.1 1.0 OG A:SER785 4.4 31.7 1.0 HD2 A:ARG781 4.4 43.5 1.0 CD A:ARG781 4.4 36.2 1.0 CD B:ARG781 4.5 32.4 1.0 O B:PHE532 4.5 29.6 1.0 CD A:LYS534 4.5 35.3 1.0 HH11 A:ARG781 4.5 45.7 1.0 CD B:LYS534 4.5 33.7 1.0 HH11 B:ARG781 4.5 44.7 1.0 O A:PHE532 4.5 28.7 1.0 N B:LYS534 4.5 29.2 1.0 N A:LYS534 4.6 25.9 1.0 HA B:LYS534 4.7 37.2 1.0 HA A:LYS534 4.7 28.3 1.0 HD2 B:LYS534 4.7 40.6 1.0 HG A:SER785 4.7 38.1 1.0 HD2 A:LYS534 4.8 42.4 1.0 NH1 A:ARG781 4.8 38.0 1.0 NE A:ARG781 4.8 39.1 1.0 NH1 B:ARG781 4.8 37.2 1.0 NE B:ARG781 4.9 32.6 1.0 HB3 B:SER785 4.9 41.3 1.0 HA B:SER533 4.9 38.5 1.0 CZ A:ARG781 4.9 36.9 1.0 HG B:SER785 4.9 38.2 1.0 CB A:LYS534 4.9 26.1 1.0 CB B:LYS534 4.9 29.7 1.0 CA B:LYS534 5.0 30.9 1.0 HB3 A:SER785 5.0 37.1 1.0 CA A:LYS534 5.0 23.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Ligand-Binding Domain (Lbd) of Human Iglur Delta-1 (GLUD1) in Complex with Gaba


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 Ligand-Binding Domain (Lbd) of Human Iglur Delta-1 (GLUD1) in Complex with Gaba within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl903 b:36.8 occ:1.00 H B:ARG535 2.5 35.6 1.0 HE B:ARG535 2.6 34.2 1.0 O A:HOH1088 2.9 23.0 1.0 O B:HOH1089 3.0 28.1 1.0 HG2 B:ARG535 3.0 29.8 1.0 HB3 B:ARG535 3.1 30.6 1.0 HA B:LYS534 3.2 37.2 1.0 N B:ARG535 3.3 29.6 1.0 NE B:ARG535 3.4 28.4 1.0 HD12 B:ILE522 3.5 39.5 1.0 HD13 B:ILE522 3.5 39.5 1.0 HG2 A:LYS534 3.5 40.4 1.0 HE3 A:LYS534 3.6 38.8 1.0 CG B:ARG535 3.7 24.8 1.0 CB B:ARG535 3.7 25.5 1.0 HH21 B:ARG535 3.7 37.6 1.0 HD3 A:LYS534 3.7 42.4 1.0 HB3 A:LYS534 3.8 31.5 1.0 HG2 B:LYS534 3.8 38.8 1.0 CD1 B:ILE522 3.9 32.9 1.0 CA B:LYS534 4.0 30.9 1.0 HG2 A:ARG535 4.0 33.2 1.0 H A:ARG535 4.0 29.8 1.0 HB3 B:LYS534 4.1 35.7 1.0 CA B:ARG535 4.1 28.1 1.0 C B:LYS534 4.1 29.2 1.0 CD B:ARG535 4.1 31.0 1.0 CG A:LYS534 4.2 33.6 1.0 HD11 B:ILE522 4.2 39.5 1.0 CD A:LYS534 4.2 35.3 1.0 HE A:ARG535 4.2 30.3 1.0 CE A:LYS534 4.3 32.3 1.0 NH2 B:ARG535 4.3 31.3 1.0 CZ B:ARG535 4.4 27.2 1.0 CB A:LYS534 4.4 26.1 1.0 HA A:LYS534 4.4 28.3 1.0 CB B:LYS534 4.4 29.7 1.0 HG3 B:ARG535 4.5 29.8 1.0 HA B:ARG535 4.5 33.9 1.0 HB2 B:ARG535 4.6 30.6 1.0 CG B:LYS534 4.6 32.2 1.0 HD2 B:ARG535 4.6 37.3 1.0 HG21 B:ILE522 4.7 34.2 1.0 O A:HOH1093 4.7 29.3 1.0 HA3 B:GLY769 4.8 36.6 1.0 HE2 A:LYS534 4.8 38.8 1.0 NE A:ARG535 4.8 25.1 1.0 N A:ARG535 4.8 24.7 1.0 HD3 B:ARG535 4.9 37.3 1.0 CG A:ARG535 4.9 27.6 1.0 CA A:LYS534 4.9 23.6 1.0 O B:SER533 4.9 29.8 1.0

C.Heroven, T.Malinauskas, A.R.Aricescu. Crystal Structure of the Ligand-Binding Domain (Lbd) of Human Iglur Delta-1 (GLUD1) in Complex with Gaba To Be Published.