Chlorine in PDB 5osc: Glic-Gabaar ALPHA1 Chimera Crystallized in Complex with Pregnenolone Sulfate at pH 4.5

The structure of Glic-Gabaar ALPHA1 Chimera Crystallized in Complex with Pregnenolone Sulfate at pH 4.5, PDB code: 5osc was solved by D.C.Laverty, M.G.Gold, T.G.Smart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.92 / 3.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	183.310, 133.180, 161.860, 90.00, 102.71, 90.00
R / Rfree (%)	21.1 / 24.6

The binding sites of Chlorine atom in the Glic-Gabaar ALPHA1 Chimera Crystallized in Complex with Pregnenolone Sulfate at pH 4.5 (pdb code 5osc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Glic-Gabaar ALPHA1 Chimera Crystallized in Complex with Pregnenolone Sulfate at pH 4.5, PDB code: 5osc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Glic-Gabaar ALPHA1 Chimera Crystallized in Complex with Pregnenolone Sulfate at pH 4.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Glic-Gabaar ALPHA1 Chimera Crystallized in Complex with Pregnenolone Sulfate at pH 4.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:89.8 occ:1.00 N A:PHE77 3.3 76.5 1.0 N A:ARG84 3.5 60.4 1.0 CD2 A:PHE77 3.5 94.0 1.0 NH1 A:ARG84 3.5 0.9 1.0 CB A:PHE77 3.6 87.9 1.0 CG A:ARG84 3.8 85.6 1.0 CA A:PHE77 4.0 78.9 1.0 CG A:PHE77 4.0 93.5 1.0 CA A:ALA83 4.0 89.2 1.0 CB A:ARG84 4.0 74.2 1.0 CG1 A:VAL80 4.2 81.4 1.0 CD A:ARG84 4.2 92.3 1.0 O A:PHE77 4.2 73.3 1.0 C A:ARG76 4.3 83.2 1.0 CA A:ARG76 4.3 77.5 1.0 C A:ALA83 4.3 85.7 1.0 CA A:ARG84 4.4 73.3 1.0 C A:PHE77 4.6 77.2 1.0 CE2 A:PHE77 4.6 98.0 1.0 CZ A:ARG84 4.6 0.9 1.0 CB A:ALA83 4.7 0.1 1.0 CB A:ARG76 4.7 69.7 1.0 O A:ASN82 4.8 99.7 1.0 CG A:ARG76 4.8 92.6 1.0 NE A:ARG84 4.9 95.5 1.0

Chlorine binding site 2 out of 5 in the Glic-Gabaar ALPHA1 Chimera Crystallized in Complex with Pregnenolone Sulfate at pH 4.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Glic-Gabaar ALPHA1 Chimera Crystallized in Complex with Pregnenolone Sulfate at pH 4.5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:85.0 occ:1.00 N B:ARG84 3.4 71.0 1.0 NH1 B:ARG84 3.4 86.3 1.0 N B:PHE77 3.6 93.5 1.0 CD2 B:PHE77 3.6 95.0 1.0 CG B:ARG84 3.6 68.5 1.0 CB B:PHE77 3.9 68.2 1.0 CB B:ARG84 3.9 75.7 1.0 CA B:ALA83 4.0 82.2 1.0 CD B:ARG84 4.0 92.7 1.0 C B:ALA83 4.2 82.8 1.0 CG B:PHE77 4.3 79.2 1.0 CA B:ARG84 4.3 84.8 1.0 CA B:PHE77 4.3 81.0 1.0 CZ B:ARG84 4.4 98.5 1.0 CA B:ARG76 4.4 83.6 1.0 CB B:ALA83 4.5 0.4 1.0 C B:ARG76 4.5 93.4 1.0 O B:PHE77 4.5 88.5 1.0 CE2 B:PHE77 4.7 91.3 1.0 NE B:ARG84 4.7 0.9 1.0 CG B:ARG76 4.8 78.8 1.0 CB B:ARG76 4.9 71.0 1.0 C B:PHE77 4.9 76.5 1.0 O B:ASN82 4.9 0.3 1.0

Chlorine binding site 3 out of 5 in the Glic-Gabaar ALPHA1 Chimera Crystallized in Complex with Pregnenolone Sulfate at pH 4.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Glic-Gabaar ALPHA1 Chimera Crystallized in Complex with Pregnenolone Sulfate at pH 4.5 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl502 b:97.3 occ:1.00 N C:PHE77 3.3 96.4 1.0 NH1 C:ARG84 3.6 1.0 1.0 N C:ARG84 3.6 60.1 1.0 CB C:PHE77 3.9 80.5 1.0 CA C:ALA83 3.9 77.9 1.0 CD2 C:PHE77 4.1 91.0 1.0 O C:PHE77 4.1 76.4 1.0 CA C:PHE77 4.1 87.5 1.0 CG C:ARG84 4.1 94.4 1.0 CA C:ARG76 4.1 75.3 1.0 C C:ARG76 4.2 95.4 1.0 C C:ALA83 4.3 78.1 1.0 CG C:ARG76 4.4 87.9 1.0 CB C:ARG84 4.4 88.0 1.0 CB C:ALA83 4.4 0.6 1.0 CB C:ARG76 4.4 69.9 1.0 CG C:PHE77 4.5 85.8 1.0 CD C:ARG84 4.5 0.3 1.0 C C:PHE77 4.6 83.6 1.0 CA C:ARG84 4.7 88.8 1.0 CZ C:ARG84 4.8 0.8 1.0 O C:ASN82 4.9 0.0 1.0

Chlorine binding site 4 out of 5 in the Glic-Gabaar ALPHA1 Chimera Crystallized in Complex with Pregnenolone Sulfate at pH 4.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Glic-Gabaar ALPHA1 Chimera Crystallized in Complex with Pregnenolone Sulfate at pH 4.5 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl503 b:85.4 occ:1.00 NH1 D:ARG84 3.3 95.2 1.0 N D:ARG84 3.4 81.1 1.0 N D:PHE77 3.5 91.5 1.0 CG D:ARG84 3.5 74.4 1.0 CD2 D:PHE77 3.5 97.8 1.0 CB D:ARG84 3.7 73.0 1.0 CD D:ARG84 3.8 92.6 1.0 CB D:PHE77 3.9 83.4 1.0 CG D:PHE77 4.2 89.7 1.0 CA D:ALA83 4.2 96.6 1.0 CA D:ARG84 4.2 70.8 1.0 CA D:PHE77 4.2 85.1 1.0 C D:ALA83 4.3 95.3 1.0 CZ D:ARG84 4.3 93.8 1.0 CA D:ARG76 4.3 91.6 1.0 C D:ARG76 4.4 92.0 1.0 CE2 D:PHE77 4.5 88.9 1.0 NE D:ARG84 4.5 93.8 1.0 CG1 D:VAL80 4.5 87.8 1.0 O D:PHE77 4.6 87.4 1.0 CB D:ALA83 4.8 0.2 1.0 CG D:ARG76 4.8 0.3 1.0 CB D:ARG76 4.8 93.6 1.0 C D:PHE77 4.9 81.4 1.0 O D:ASN82 5.0 0.0 1.0 O D:ILE75 5.0 0.1 1.0

Chlorine binding site 5 out of 5 in the Glic-Gabaar ALPHA1 Chimera Crystallized in Complex with Pregnenolone Sulfate at pH 4.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Glic-Gabaar ALPHA1 Chimera Crystallized in Complex with Pregnenolone Sulfate at pH 4.5 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl503 b:97.7 occ:1.00 NH1 E:ARG84 3.4 0.4 1.0 N E:PHE77 3.4 0.2 1.0 N E:ARG84 3.5 66.2 1.0 CG E:ARG84 3.9 80.5 1.0 CD2 E:PHE77 3.9 0.1 1.0 CA E:ALA83 3.9 75.8 1.0 CB E:PHE77 4.0 82.2 1.0 CA E:ARG76 4.2 71.9 1.0 CB E:ARG84 4.2 66.9 1.0 C E:ALA83 4.3 85.9 1.0 CA E:PHE77 4.3 80.0 1.0 CD E:ARG84 4.3 84.6 1.0 C E:ARG76 4.3 99.7 1.0 CB E:ALA83 4.4 0.1 1.0 O E:PHE77 4.5 76.1 1.0 CG E:PHE77 4.5 90.9 1.0 CZ E:ARG84 4.5 99.6 1.0 CA E:ARG84 4.5 82.2 1.0 CG1 E:VAL80 4.5 64.7 1.0 CG E:ARG76 4.6 88.3 1.0 CB E:ARG76 4.7 65.0 1.0 NE E:ARG84 4.8 0.1 1.0 C E:PHE77 4.8 80.1 1.0 CE2 E:PHE77 5.0 0.1 1.0 O E:ILE75 5.0 95.6 1.0

D.Laverty, P.Thomas, M.Field, O.J.Andersen, M.G.Gold, P.C.Biggin, M.Gielen, T.G.Smart. Crystal Structures of A Gabaa-Receptor Chimera Reveal New Endogenous Neurosteroid-Binding Sites. Nat. Struct. Mol. Biol. V. 24 977 2017.
ISSN: ESSN 1545-9985
PubMed: 28967882
DOI: 10.1038/NSMB.3477