Chlorine in PDB 4mqf: Crystal Structure of the Extracellular Domain of Human Gaba(B) Receptor Bound to the Antagonist 2-Hydroxysaclofen

The structure of Crystal Structure of the Extracellular Domain of Human Gaba(B) Receptor Bound to the Antagonist 2-Hydroxysaclofen, PDB code: 4mqf was solved by Y.Geng, M.Bush, L.Mosyak, F.Wang, Q.R.Fan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.50 / 2.22
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	70.280, 112.630, 73.220, 90.00, 97.79, 90.00
R / Rfree (%)	20.7 / 23.4

The binding sites of Chlorine atom in the Crystal Structure of the Extracellular Domain of Human Gaba(B) Receptor Bound to the Antagonist 2-Hydroxysaclofen (pdb code 4mqf). 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 Crystal Structure of the Extracellular Domain of Human Gaba(B) Receptor Bound to the Antagonist 2-Hydroxysaclofen, PDB code: 4mqf:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Extracellular Domain of Human Gaba(B) Receptor Bound to the Antagonist 2-Hydroxysaclofen


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 Extracellular Domain of Human Gaba(B) Receptor Bound to the Antagonist 2-Hydroxysaclofen within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:30.2 occ:1.00 CL A:2BQ501 0.0 30.2 1.0 C3 A:2BQ501 1.8 23.5 1.0 C2 A:2BQ501 2.7 20.7 1.0 C4 A:2BQ501 2.8 19.9 1.0 CH2 A:TRP278 3.7 36.5 1.0 CZ3 A:TRP278 3.8 35.8 1.0 CE1 A:TYR250 3.8 26.9 1.0 CZ2 A:TRP278 3.9 35.6 1.0 C1 A:2BQ501 4.0 19.6 1.0 C5 A:2BQ501 4.0 20.7 1.0 CE3 A:TRP278 4.1 34.1 1.0 O A:HOH663 4.1 39.7 1.0 CE2 A:TRP278 4.2 36.0 1.0 CD1 A:TYR250 4.2 24.6 1.0 CD2 A:TRP278 4.3 32.2 1.0 O A:HOH691 4.5 49.5 1.0 C6 A:2BQ501 4.6 17.6 1.0 O A:HOH609 4.9 26.1 1.0 O A:HOH618 4.9 38.5 1.0 CZ A:TYR250 4.9 34.8 1.0 NE1 A:TRP278 5.0 34.8 1.0

Y.Geng, M.Bush, L.Mosyak, F.Wang, Q.R.Fan. Structural Mechanism of Ligand Activation in Human Gaba(B) Receptor. Nature V. 504 254 2013.
ISSN: ISSN 0028-0836
PubMed: 24305054
DOI: 10.1038/NATURE12725