Chlorine in PDB 5osa: Glic-Gabaar ALPHA1 Chimera Crystallized at PH4.6

The structure of Glic-Gabaar ALPHA1 Chimera Crystallized at PH4.6, PDB code: 5osa 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 / 2.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	185.017, 133.947, 162.697, 90.00, 103.54, 90.00
R / Rfree (%)	20.3 / 22.9

The binding sites of Chlorine atom in the Glic-Gabaar ALPHA1 Chimera Crystallized at PH4.6 (pdb code 5osa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Glic-Gabaar ALPHA1 Chimera Crystallized at PH4.6, PDB code: 5osa:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Glic-Gabaar ALPHA1 Chimera Crystallized at PH4.6


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 at PH4.6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:67.8 occ:1.00 N A:ARG84 3.3 63.1 1.0 N A:PHE77 3.3 71.1 1.0 NH1 A:ARG84 3.7 71.7 1.0 CA A:ALA83 3.8 62.8 1.0 CG A:ARG84 3.8 69.3 1.0 CD2 A:PHE77 4.0 87.3 1.0 CB A:PHE77 4.0 70.8 1.0 CD A:ARG84 4.1 69.7 1.0 CB A:ARG84 4.1 68.9 1.0 CA A:ARG76 4.1 73.0 1.0 C A:ALA83 4.1 65.2 1.0 C A:ARG76 4.2 69.5 1.0 CA A:PHE77 4.2 69.3 1.0 CB A:ALA83 4.3 58.9 1.0 CA A:ARG84 4.3 67.6 1.0 O A:PHE77 4.4 71.3 1.0 CG A:PHE77 4.5 81.8 1.0 CG A:ARG76 4.5 61.9 1.0 CB A:ARG76 4.5 69.9 1.0 CG1 A:VAL80 4.6 56.3 1.0 CZ A:ARG84 4.7 72.2 1.0 C A:PHE77 4.8 68.0 1.0 NE A:ARG84 4.8 71.9 1.0 O A:ASN82 4.9 68.4 1.0 O A:ILE75 4.9 76.8 1.0 N A:ALA83 5.0 68.9 1.0

Chlorine binding site 2 out of 7 in the Glic-Gabaar ALPHA1 Chimera Crystallized at PH4.6


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 at PH4.6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:0.3 occ:1.00 O D:HOH608 2.6 88.7 1.0 CG2 B:VAL256 4.3 70.4 1.0 CG2 C:VAL256 4.4 65.7 1.0 CG2 A:VAL256 4.4 69.5 1.0 CG2 E:VAL256 4.5 70.6 1.0 CG2 D:VAL256 4.5 71.8 1.0

Chlorine binding site 3 out of 7 in the Glic-Gabaar ALPHA1 Chimera Crystallized at PH4.6


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 at PH4.6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:0.9 occ:1.00 CG D:PRO252 4.5 72.6 1.0 CG E:PRO252 4.6 79.2 1.0 CG C:PRO252 4.6 86.0 1.0 CG A:PRO252 4.7 76.8 1.0 CG B:PRO252 4.8 83.5 1.0

Chlorine binding site 4 out of 7 in the Glic-Gabaar ALPHA1 Chimera Crystallized at PH4.6


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 at PH4.6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:76.4 occ:1.00 N B:ARG84 3.3 65.4 1.0 NH1 B:ARG84 3.4 77.9 1.0 N B:PHE77 3.5 67.7 1.0 CG B:ARG84 3.7 65.4 1.0 CD2 B:PHE77 3.8 81.9 1.0 CD B:ARG84 3.8 66.5 1.0 CA B:ALA83 3.9 60.1 1.0 CB B:ARG84 3.9 70.6 1.0 CB B:PHE77 4.0 56.4 1.0 C B:ALA83 4.1 66.5 1.0 CA B:ARG84 4.3 67.7 1.0 CA B:ARG76 4.3 75.2 1.0 CA B:PHE77 4.3 61.6 1.0 CB B:ALA83 4.3 50.9 1.0 C B:ARG76 4.4 69.5 1.0 CG B:PHE77 4.4 69.7 1.0 CZ B:ARG84 4.5 70.5 1.0 O B:PHE77 4.5 72.3 1.0 CG1 B:VAL80 4.6 72.2 1.0 NE B:ARG84 4.6 70.6 1.0 CE2 B:PHE77 4.8 83.3 1.0 CB B:ARG76 4.8 72.1 1.0 CG B:ARG76 4.8 66.3 1.0 O B:ILE75 4.9 82.7 1.0 C B:PHE77 4.9 64.3 1.0 O B:ASN82 4.9 78.7 1.0

Chlorine binding site 5 out of 7 in the Glic-Gabaar ALPHA1 Chimera Crystallized at PH4.6


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 at PH4.6 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl503 b:73.2 occ:1.00 N C:PHE77 3.2 71.4 1.0 NH1 C:ARG84 3.4 84.4 1.0 N C:ARG84 3.5 62.9 1.0 CA C:ALA83 3.8 57.9 1.0 CD2 C:PHE77 3.9 86.2 1.0 CG C:ARG84 3.9 70.2 1.0 CB C:PHE77 3.9 65.3 1.0 CA C:ARG76 4.0 67.5 1.0 CD C:ARG84 4.1 75.1 1.0 CA C:PHE77 4.1 66.1 1.0 C C:ARG76 4.1 70.2 1.0 C C:ALA83 4.2 62.5 1.0 CB C:ARG84 4.2 66.9 1.0 CB C:ALA83 4.3 52.1 1.0 O C:PHE77 4.3 67.0 1.0 CG C:PHE77 4.4 77.8 1.0 CG1 C:VAL80 4.4 59.0 1.0 CA C:ARG84 4.5 65.8 1.0 CB C:ARG76 4.5 61.5 1.0 CG C:ARG76 4.5 56.6 1.0 CZ C:ARG84 4.5 80.2 1.0 C C:PHE77 4.7 64.6 1.0 NE C:ARG84 4.8 79.0 1.0 O C:ILE75 4.9 70.7 1.0 O C:ASN82 4.9 68.5 1.0 N C:ALA83 5.0 61.5 1.0 CE2 C:PHE77 5.0 90.4 1.0

Chlorine binding site 6 out of 7 in the Glic-Gabaar ALPHA1 Chimera Crystallized at PH4.6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Glic-Gabaar ALPHA1 Chimera Crystallized at PH4.6 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl503 b:72.0 occ:1.00 N D:ARG84 3.3 58.9 1.0 N D:PHE77 3.4 68.3 1.0 NH1 D:ARG84 3.6 71.9 1.0 CG D:ARG84 3.6 64.6 1.0 CD2 D:PHE77 3.8 86.3 1.0 CA D:ALA83 3.8 64.4 1.0 CD D:ARG84 3.9 61.2 1.0 CB D:PHE77 3.9 68.4 1.0 CB D:ARG84 3.9 64.6 1.0 C D:ALA83 4.1 67.2 1.0 CA D:PHE77 4.2 67.5 1.0 CA D:ARG84 4.2 61.1 1.0 CA D:ARG76 4.3 67.2 1.0 CG D:PHE77 4.3 78.6 1.0 CB D:ALA83 4.3 58.0 1.0 C D:ARG76 4.3 64.2 1.0 O D:PHE77 4.4 65.0 1.0 CG1 D:VAL80 4.5 63.0 1.0 CZ D:ARG84 4.5 66.4 1.0 NE D:ARG84 4.6 63.4 1.0 C D:PHE77 4.8 64.7 1.0 O D:ASN82 4.8 75.6 1.0 CB D:ARG76 4.8 68.7 1.0 CG D:ARG76 4.8 71.0 1.0 CE2 D:PHE77 4.9 89.6 1.0 N D:ALA83 5.0 75.0 1.0

Chlorine binding site 7 out of 7 in the Glic-Gabaar ALPHA1 Chimera Crystallized at PH4.6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Glic-Gabaar ALPHA1 Chimera Crystallized at PH4.6 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl502 b:69.9 occ:1.00 N E:ARG84 3.3 69.4 1.0 N E:PHE77 3.4 76.6 1.0 NH1 E:ARG84 3.6 78.2 1.0 CG E:ARG84 3.7 68.0 1.0 CD2 E:PHE77 3.8 85.4 1.0 CA E:ALA83 3.8 73.4 1.0 CB E:PHE77 3.9 72.1 1.0 CD E:ARG84 4.0 68.3 1.0 CB E:ARG84 4.0 70.5 1.0 C E:ALA83 4.1 74.8 1.0 CB E:ALA83 4.2 76.4 1.0 CA E:PHE77 4.2 71.3 1.0 CA E:ARG76 4.3 71.9 1.0 CA E:ARG84 4.3 68.0 1.0 CG E:PHE77 4.3 80.5 1.0 C E:ARG76 4.3 73.6 1.0 O E:PHE77 4.5 74.3 1.0 CG1 E:VAL80 4.6 80.2 1.0 CZ E:ARG84 4.6 72.2 1.0 NE E:ARG84 4.8 69.9 1.0 CG E:ARG76 4.8 54.3 1.0 CB E:ARG76 4.8 65.2 1.0 CE2 E:PHE77 4.8 85.5 1.0 C E:PHE77 4.9 67.0 1.0 O E:ASN82 4.9 71.5 1.0 O E:ILE75 4.9 72.6 1.0 N E:ALA83 5.0 74.6 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