Chlorine in PDB 5osb: Glic-Gabaar ALPHA1 Chimera Crystallized in Complex with Thdoc at PH4.5

The structure of Glic-Gabaar ALPHA1 Chimera Crystallized in Complex with Thdoc at PH4.5, PDB code: 5osb 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)	29.98 / 3.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	185.218, 133.507, 162.263, 90.00, 103.41, 90.00
R / Rfree (%)	24.1 / 29

The binding sites of Chlorine atom in the Glic-Gabaar ALPHA1 Chimera Crystallized in Complex with Thdoc at PH4.5 (pdb code 5osb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Glic-Gabaar ALPHA1 Chimera Crystallized in Complex with Thdoc at PH4.5, PDB code: 5osb:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Glic-Gabaar ALPHA1 Chimera Crystallized in Complex with Thdoc at PH4.5


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 Thdoc at PH4.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:0.9 occ:1.00 N A:PHE77 3.3 0.4 1.0 N A:ARG84 3.4 0.5 1.0 CD2 A:PHE77 3.6 0.5 1.0 NH1 A:ARG84 3.7 0.8 1.0 CB A:PHE77 3.7 0.3 1.0 CG A:ARG84 3.8 0.2 1.0 CD A:ARG84 4.0 0.3 1.0 CB A:ARG84 4.0 0.9 1.0 CA A:PHE77 4.0 0.0 1.0 CA A:ALA83 4.0 0.6 1.0 CG A:PHE77 4.1 0.9 1.0 CA A:ARG76 4.2 0.3 1.0 C A:ARG76 4.2 0.3 1.0 C A:ALA83 4.3 0.3 1.0 CA A:ARG84 4.3 0.2 1.0 O A:PHE77 4.3 0.5 1.0 CG1 A:VAL80 4.4 0.0 1.0 CB A:ALA83 4.6 0.5 1.0 CE2 A:PHE77 4.7 0.8 1.0 C A:PHE77 4.7 0.6 1.0 CZ A:ARG84 4.7 0.9 1.0 CB A:ARG76 4.7 1.0 1.0 CG A:ARG76 4.8 0.7 1.0 NE A:ARG84 4.8 0.8 1.0 O A:ASN82 4.8 0.3 1.0

Chlorine binding site 2 out of 2 in the Glic-Gabaar ALPHA1 Chimera Crystallized in Complex with Thdoc at PH4.5


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 Thdoc at PH4.5 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl502 b:0.2 occ:1.00 N D:ARG84 3.2 0.7 1.0 N D:PHE77 3.3 0.6 1.0 NH1 D:ARG84 3.4 0.7 1.0 CG D:ARG84 3.4 0.6 1.0 CD2 D:PHE77 3.4 0.1 1.0 CD D:ARG84 3.6 0.5 1.0 CB D:ARG84 3.7 0.5 1.0 CB D:PHE77 3.8 0.0 1.0 CA D:ALA83 4.1 0.3 1.0 CG D:PHE77 4.1 0.6 1.0 CA D:ARG84 4.1 0.4 1.0 CA D:PHE77 4.1 0.3 1.0 C D:ALA83 4.1 0.3 1.0 CA D:ARG76 4.2 0.8 1.0 C D:ARG76 4.2 0.3 1.0 CZ D:ARG84 4.3 0.4 1.0 NE D:ARG84 4.4 0.7 1.0 CE2 D:PHE77 4.5 0.2 1.0 O D:PHE77 4.6 0.5 1.0 CB D:ALA83 4.6 0.9 1.0 CG1 D:VAL80 4.7 0.7 1.0 CB D:ARG76 4.8 0.3 1.0 O D:ILE75 4.8 0.1 1.0 CG D:ARG76 4.8 0.5 1.0 C D:PHE77 4.9 0.3 1.0 O D:ASN82 4.9 0.5 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