Chlorine in PDB 4mr7: Crystal Structure of the Extracellular Domain of Human Gaba(B) Receptor Bound to the Antagonist CGP54626

The structure of Crystal Structure of the Extracellular Domain of Human Gaba(B) Receptor Bound to the Antagonist CGP54626, PDB code: 4mr7 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)	21.67 / 2.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.670, 113.210, 73.460, 90.00, 97.11, 90.00
R / Rfree (%)	20.3 / 24

The binding sites of Chlorine atom in the Crystal Structure of the Extracellular Domain of Human Gaba(B) Receptor Bound to the Antagonist CGP54626 (pdb code 4mr7). 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 Extracellular Domain of Human Gaba(B) Receptor Bound to the Antagonist CGP54626, PDB code: 4mr7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Extracellular Domain of Human Gaba(B) Receptor Bound to the Antagonist CGP54626


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 CGP54626 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:41.9 occ:1.00 CL1 A:2BV501 0.0 41.9 1.0 C6 A:2BV501 1.8 37.3 1.0 C7 A:2BV501 2.8 31.5 1.0 C5 A:2BV501 2.8 38.3 1.0 O A:HOH817 3.0 57.0 1.0 CL2 A:2BV501 3.1 50.6 1.0 O A:HOH662 3.4 28.6 1.0 CZ3 A:TRP278 3.7 39.1 1.0 CE3 A:TRP278 3.8 37.1 1.0 O A:HOH644 3.9 32.9 1.0 O A:HOH713 3.9 35.6 1.0 O A:HOH732 3.9 43.7 1.0 C15 A:2BV501 3.9 26.5 1.0 O A:HOH697 3.9 37.2 1.0 C8 A:2BV501 4.1 25.9 1.0 C4 A:2BV501 4.1 29.8 1.0 C3 A:2BV501 4.6 26.5 1.0 CH2 A:TRP278 4.6 39.9 1.0 C14 A:2BV501 4.7 27.3 1.0 CD2 A:TRP278 4.7 34.9 1.0 O A:TRP278 4.8 27.8 1.0 O A:HOH810 4.9 41.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Extracellular Domain of Human Gaba(B) Receptor Bound to the Antagonist CGP54626


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 Extracellular Domain of Human Gaba(B) Receptor Bound to the Antagonist CGP54626 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:50.6 occ:1.00 CL2 A:2BV501 0.0 50.6 1.0 C5 A:2BV501 1.8 38.3 1.0 C4 A:2BV501 2.8 29.8 1.0 C6 A:2BV501 2.8 37.3 1.0 O A:HOH810 3.1 41.8 1.0 CL1 A:2BV501 3.1 41.9 1.0 O A:HOH644 3.6 32.9 1.0 O A:HOH622 3.7 34.5 1.0 CD1 A:TRP65 3.8 14.4 1.0 O A:HOH797 3.9 61.2 1.0 C3 A:2BV501 4.1 26.5 1.0 C7 A:2BV501 4.1 31.5 1.0 NE1 A:TRP65 4.2 13.7 1.0 O A:HOH697 4.3 37.2 1.0 NE2 A:GLN348 4.5 43.9 1.0 C8 A:2BV501 4.6 25.9 1.0 OE2 A:GLU349 4.8 15.2 1.0 O A:HOH817 5.0 57.0 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