Bromine in PDB 8bhs: Gaba-A Receptor A5 Homomer - A5V3 - RO4938581

The structure of Gaba-A Receptor A5 Homomer - A5V3 - RO4938581 also contains other interesting chemical elements:

Fluorine

(F)

10 atoms

The binding sites of Bromine atom in the Gaba-A Receptor A5 Homomer - A5V3 - RO4938581 (pdb code 8bhs). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 5 binding sites of Bromine where determined in the Gaba-A Receptor A5 Homomer - A5V3 - RO4938581, PDB code: 8bhs:
Jump to Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 in the Gaba-A Receptor A5 Homomer - A5V3 - RO4938581


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Gaba-A Receptor A5 Homomer - A5V3 - RO4938581 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br502 b:168.0 occ:1.00 BR A:QK9502 0.0 168.0 1.0 C7 A:QK9502 1.9 125.6 1.0 HE1 A:PHE103 2.8 83.6 1.0 C6 A:QK9502 2.8 124.2 1.0 C8 A:QK9502 2.8 124.4 1.0 HD13 A:ILE215 2.9 94.8 1.0 H3 A:QK9502 2.9 123.5 1.0 H4 A:QK9502 2.9 122.3 1.0 HB3 A:TYR213 2.9 101.4 1.0 HZ A:PHE103 3.0 81.7 1.0 O A:SER162 3.1 97.4 1.0 HD11 A:ILE206 3.2 111.2 1.0 HB2 A:TYR213 3.4 101.2 1.0 CE1 A:PHE103 3.5 85.8 1.0 HD2 A:TYR213 3.5 101.2 1.0 CB A:TYR213 3.5 98.1 1.0 HD12 A:ILE215 3.6 93.4 1.0 CZ A:PHE103 3.6 80.3 1.0 CD1 A:ILE215 3.6 93.0 1.0 CD2 A:TYR213 3.8 102.2 1.0 CG A:TYR213 3.8 100.1 1.0 HD11 A:ILE215 4.0 93.1 1.0 CD1 A:ILE206 4.1 114.8 1.0 C9 A:QK9502 4.1 120.6 1.0 C5 A:QK9502 4.1 121.5 1.0 HA3 A:GLY161 4.2 81.0 1.0 HD13 A:ILE206 4.3 111.5 1.0 C A:SER162 4.3 86.0 1.0 HA A:TYR163 4.4 88.3 1.0 HD2 A:HIS105 4.5 95.0 1.0 H A:SER162 4.6 88.9 1.0 N A:SER162 4.7 80.6 1.0 C4 A:QK9502 4.7 121.2 1.0 CE2 A:TYR213 4.7 97.1 1.0 HD12 A:ILE206 4.7 111.0 1.0 CD1 A:TYR213 4.7 100.7 1.0 CD1 A:PHE103 4.8 81.0 1.0 C A:GLY161 4.8 77.6 1.0 HG12 A:ILE206 4.8 111.0 1.0 O A:THR214 4.9 92.7 1.0 CG1 A:ILE215 4.9 91.4 1.0 HG12 A:ILE215 4.9 95.1 1.0 HB2 A:HIS105 4.9 92.8 1.0 CE2 A:PHE103 4.9 82.6 1.0 CA A:GLY161 4.9 76.2 1.0 CA A:TYR213 4.9 97.7 1.0 H5 A:QK9502 5.0 121.6 1.0 CG1 A:ILE206 5.0 112.2 1.0 HG13 A:ILE206 5.0 110.7 1.0

Bromine binding site 2 out of 5 in the Gaba-A Receptor A5 Homomer - A5V3 - RO4938581


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Gaba-A Receptor A5 Homomer - A5V3 - RO4938581 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br502 b:168.0 occ:1.00 BR B:QK9502 0.0 168.0 1.0 C7 B:QK9502 1.9 125.6 1.0 HE1 B:PHE103 2.8 83.6 1.0 C6 B:QK9502 2.8 124.2 1.0 C8 B:QK9502 2.8 124.4 1.0 HD13 B:ILE215 2.9 94.8 1.0 H3 B:QK9502 2.9 123.5 1.0 H4 B:QK9502 2.9 122.3 1.0 HB3 B:TYR213 2.9 101.4 1.0 HZ B:PHE103 3.0 81.7 1.0 O B:SER162 3.1 97.4 1.0 HD11 B:ILE206 3.2 111.2 1.0 HB2 B:TYR213 3.4 101.2 1.0 CE1 B:PHE103 3.5 85.8 1.0 HD2 B:TYR213 3.5 101.2 1.0 CB B:TYR213 3.5 98.1 1.0 HD12 B:ILE215 3.6 93.4 1.0 CZ B:PHE103 3.6 80.3 1.0 CD1 B:ILE215 3.6 93.0 1.0 CD2 B:TYR213 3.8 102.2 1.0 CG B:TYR213 3.8 100.1 1.0 HD11 B:ILE215 4.0 93.1 1.0 CD1 B:ILE206 4.1 114.8 1.0 C9 B:QK9502 4.1 120.6 1.0 C5 B:QK9502 4.1 121.5 1.0 HA3 B:GLY161 4.2 81.0 1.0 HD13 B:ILE206 4.3 111.5 1.0 C B:SER162 4.3 86.0 1.0 HA B:TYR163 4.4 88.3 1.0 HD2 B:HIS105 4.5 95.0 1.0 H B:SER162 4.6 88.9 1.0 N B:SER162 4.7 80.6 1.0 C4 B:QK9502 4.7 121.2 1.0 CE2 B:TYR213 4.7 97.1 1.0 HD12 B:ILE206 4.7 111.0 1.0 CD1 B:TYR213 4.7 100.7 1.0 CD1 B:PHE103 4.8 81.0 1.0 C B:GLY161 4.8 77.6 1.0 HG12 B:ILE206 4.8 111.0 1.0 O B:THR214 4.9 92.7 1.0 CG1 B:ILE215 4.9 91.4 1.0 HG12 B:ILE215 4.9 95.1 1.0 HB2 B:HIS105 4.9 92.8 1.0 CE2 B:PHE103 4.9 82.6 1.0 CA B:GLY161 4.9 76.2 1.0 CA B:TYR213 4.9 97.7 1.0 H5 B:QK9502 5.0 121.6 1.0 CG1 B:ILE206 5.0 112.2 1.0 HG13 B:ILE206 5.0 110.7 1.0

Bromine binding site 3 out of 5 in the Gaba-A Receptor A5 Homomer - A5V3 - RO4938581


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Gaba-A Receptor A5 Homomer - A5V3 - RO4938581 within 5.0Å range: probe atom residue distance (Å) B Occ C:Br502 b:168.0 occ:1.00 BR C:QK9502 0.0 168.0 1.0 C7 C:QK9502 1.9 125.6 1.0 HE1 C:PHE103 2.8 83.6 1.0 C6 C:QK9502 2.8 124.2 1.0 C8 C:QK9502 2.8 124.4 1.0 HD13 C:ILE215 2.9 94.8 1.0 H3 C:QK9502 2.9 123.5 1.0 H4 C:QK9502 2.9 122.3 1.0 HB3 C:TYR213 2.9 101.4 1.0 HZ C:PHE103 3.0 81.7 1.0 O C:SER162 3.1 97.4 1.0 HD11 C:ILE206 3.2 111.2 1.0 HB2 C:TYR213 3.4 101.2 1.0 CE1 C:PHE103 3.5 85.8 1.0 HD2 C:TYR213 3.5 101.2 1.0 CB C:TYR213 3.5 98.1 1.0 HD12 C:ILE215 3.6 93.4 1.0 CZ C:PHE103 3.6 80.3 1.0 CD1 C:ILE215 3.6 93.0 1.0 CD2 C:TYR213 3.8 102.2 1.0 CG C:TYR213 3.8 100.1 1.0 HD11 C:ILE215 4.0 93.1 1.0 CD1 C:ILE206 4.1 114.8 1.0 C9 C:QK9502 4.1 120.6 1.0 C5 C:QK9502 4.1 121.5 1.0 HA3 C:GLY161 4.2 81.0 1.0 HD13 C:ILE206 4.3 111.5 1.0 C C:SER162 4.3 86.0 1.0 HA C:TYR163 4.4 88.3 1.0 HD2 C:HIS105 4.5 95.0 1.0 H C:SER162 4.6 88.9 1.0 N C:SER162 4.7 80.6 1.0 C4 C:QK9502 4.7 121.2 1.0 CE2 C:TYR213 4.7 97.1 1.0 HD12 C:ILE206 4.7 111.0 1.0 CD1 C:TYR213 4.7 100.7 1.0 CD1 C:PHE103 4.8 81.0 1.0 C C:GLY161 4.8 77.6 1.0 HG12 C:ILE206 4.8 111.0 1.0 O C:THR214 4.9 92.7 1.0 CG1 C:ILE215 4.9 91.4 1.0 HG12 C:ILE215 4.9 95.1 1.0 HB2 C:HIS105 4.9 92.8 1.0 CE2 C:PHE103 4.9 82.6 1.0 CA C:GLY161 4.9 76.2 1.0 CA C:TYR213 4.9 97.7 1.0 H5 C:QK9502 5.0 121.6 1.0 CG1 C:ILE206 5.0 112.2 1.0 HG13 C:ILE206 5.0 110.7 1.0

Bromine binding site 4 out of 5 in the Gaba-A Receptor A5 Homomer - A5V3 - RO4938581


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Gaba-A Receptor A5 Homomer - A5V3 - RO4938581 within 5.0Å range: probe atom residue distance (Å) B Occ D:Br502 b:168.0 occ:1.00 BR D:QK9502 0.0 168.0 1.0 C7 D:QK9502 1.9 125.6 1.0 HE1 D:PHE103 2.8 83.6 1.0 C6 D:QK9502 2.8 124.2 1.0 C8 D:QK9502 2.8 124.4 1.0 HD13 D:ILE215 2.9 94.8 1.0 H3 D:QK9502 2.9 123.5 1.0 H4 D:QK9502 2.9 122.3 1.0 HB3 D:TYR213 2.9 101.4 1.0 HZ D:PHE103 3.0 81.7 1.0 O D:SER162 3.1 97.4 1.0 HD11 D:ILE206 3.2 111.2 1.0 HB2 D:TYR213 3.4 101.2 1.0 CE1 D:PHE103 3.5 85.8 1.0 HD2 D:TYR213 3.5 101.2 1.0 CB D:TYR213 3.5 98.1 1.0 HD12 D:ILE215 3.6 93.4 1.0 CZ D:PHE103 3.6 80.3 1.0 CD1 D:ILE215 3.6 93.0 1.0 CD2 D:TYR213 3.8 102.2 1.0 CG D:TYR213 3.8 100.1 1.0 HD11 D:ILE215 4.0 93.1 1.0 CD1 D:ILE206 4.1 114.8 1.0 C9 D:QK9502 4.1 120.6 1.0 C5 D:QK9502 4.1 121.5 1.0 HA3 D:GLY161 4.2 81.0 1.0 HD13 D:ILE206 4.3 111.5 1.0 C D:SER162 4.3 86.0 1.0 HA D:TYR163 4.4 88.3 1.0 HD2 D:HIS105 4.5 95.0 1.0 H D:SER162 4.6 88.9 1.0 N D:SER162 4.7 80.6 1.0 C4 D:QK9502 4.7 121.2 1.0 CE2 D:TYR213 4.7 97.1 1.0 HD12 D:ILE206 4.7 111.0 1.0 CD1 D:TYR213 4.7 100.7 1.0 CD1 D:PHE103 4.8 81.0 1.0 C D:GLY161 4.8 77.6 1.0 HG12 D:ILE206 4.8 111.0 1.0 O D:THR214 4.9 92.7 1.0 CG1 D:ILE215 4.9 91.4 1.0 HG12 D:ILE215 4.9 95.1 1.0 HB2 D:HIS105 4.9 92.8 1.0 CE2 D:PHE103 4.9 82.6 1.0 CA D:GLY161 4.9 76.2 1.0 CA D:TYR213 4.9 97.7 1.0 H5 D:QK9502 5.0 121.6 1.0 CG1 D:ILE206 5.0 112.2 1.0 HG13 D:ILE206 5.0 110.7 1.0

Bromine binding site 5 out of 5 in the Gaba-A Receptor A5 Homomer - A5V3 - RO4938581


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Gaba-A Receptor A5 Homomer - A5V3 - RO4938581 within 5.0Å range: probe atom residue distance (Å) B Occ E:Br502 b:168.0 occ:1.00 BR E:QK9502 0.0 168.0 1.0 C7 E:QK9502 1.9 125.6 1.0 HE1 E:PHE103 2.8 83.6 1.0 C6 E:QK9502 2.8 124.2 1.0 C8 E:QK9502 2.8 124.4 1.0 HD13 E:ILE215 2.9 94.8 1.0 H3 E:QK9502 2.9 123.5 1.0 H4 E:QK9502 2.9 122.3 1.0 HB3 E:TYR213 2.9 101.4 1.0 HZ E:PHE103 3.0 81.7 1.0 O E:SER162 3.1 97.4 1.0 HD11 E:ILE206 3.2 111.2 1.0 HB2 E:TYR213 3.4 101.2 1.0 CE1 E:PHE103 3.5 85.8 1.0 HD2 E:TYR213 3.5 101.2 1.0 CB E:TYR213 3.5 98.1 1.0 HD12 E:ILE215 3.6 93.4 1.0 CZ E:PHE103 3.6 80.3 1.0 CD1 E:ILE215 3.6 93.0 1.0 CD2 E:TYR213 3.8 102.2 1.0 CG E:TYR213 3.8 100.1 1.0 HD11 E:ILE215 4.0 93.1 1.0 CD1 E:ILE206 4.1 114.8 1.0 C9 E:QK9502 4.1 120.6 1.0 C5 E:QK9502 4.1 121.5 1.0 HA3 E:GLY161 4.2 81.0 1.0 HD13 E:ILE206 4.3 111.5 1.0 C E:SER162 4.3 86.0 1.0 HA E:TYR163 4.4 88.3 1.0 HD2 E:HIS105 4.5 95.0 1.0 H E:SER162 4.6 88.9 1.0 N E:SER162 4.7 80.6 1.0 C4 E:QK9502 4.7 121.2 1.0 CE2 E:TYR213 4.7 97.1 1.0 HD12 E:ILE206 4.7 111.0 1.0 CD1 E:TYR213 4.7 100.7 1.0 CD1 E:PHE103 4.8 81.0 1.0 C E:GLY161 4.8 77.6 1.0 HG12 E:ILE206 4.8 111.0 1.0 O E:THR214 4.9 92.7 1.0 CG1 E:ILE215 4.9 91.4 1.0 HG12 E:ILE215 4.9 95.1 1.0 HB2 E:HIS105 4.9 92.8 1.0 CE2 E:PHE103 4.9 82.6 1.0 CA E:GLY161 4.9 76.2 1.0 CA E:TYR213 4.9 97.7 1.0 H5 E:QK9502 5.0 121.6 1.0 CG1 E:ILE206 5.0 112.2 1.0 HG13 E:ILE206 5.0 110.7 1.0

V.B.Kasaragod, T.M.Malinauskas, A.A.Wahid, J.Lengyel, F.Knoflach, S.W.Hardwick, C.F.Jones, W.N.Chen, X.Lucas, K.E.Omari, D.Y.Chirgadze, A.R.Aricescu, G.Cecere, M.C.Hernandez, P.S.Miller. The Molecular Basis of Drug Selectivity For ALPHA5 Subunit-Containing Gabaa Receptors Nat.Struct.Mol.Biol. 2023.
ISSN: ESSN 1545-9985
DOI: 10.1038/S41594-023-01133-1