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Chlorine in PDB 8bhk: Gaba-A Receptor A5 Homomer - A5V3 - Diazepam

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 5 in 8bhk

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Chlorine binding site 1 out of 5 in the Gaba-A Receptor A5 Homomer - A5V3 - Diazepam


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Gaba-A Receptor A5 Homomer - A5V3 - Diazepam within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:57.4
occ:1.00
 CL A:DZP502 0.0 57.4 1.0
C9 A:DZP502 1.7 46.4 1.0
C14 A:DZP502 2.7 41.9 1.0
C8 A:DZP502 2.7 48.5 1.0
H8 A:DZP502 2.8 48.2 1.0
H14 A:DZP502 2.8 46.5 1.0
HB3 A:HIS105 2.8 32.9 1.0
HD1 A:HIS105 2.9 35.5 1.0
HD22 E:ASN51 3.5 43.2 1.0
HZ E:PHE68 3.5 34.6 1.0
ND1 A:HIS105 3.7 37.8 1.0
HE1 E:PHE68 3.7 34.5 1.0
CB A:HIS105 3.7 28.9 1.0
ND2 E:ASN51 3.7 46.1 1.0
OD1 E:ASN51 3.9 47.4 1.0
CG E:ASN51 4.0 45.5 1.0
C7 A:DZP502 4.0 48.5 1.0
C13 A:DZP502 4.0 45.0 1.0
HA A:HIS105 4.0 33.8 1.0
CZ E:PHE68 4.1 34.3 1.0
HD21 E:ASN51 4.2 42.5 1.0
CE1 E:PHE68 4.2 34.3 1.0
CG A:HIS105 4.2 32.4 1.0
O A:HIS105 4.2 38.1 1.0
CA A:HIS105 4.3 31.8 1.0
HB2 A:HIS105 4.4 33.9 1.0
C6 A:DZP502 4.5 46.4 1.0
C A:HIS105 4.6 31.4 1.0
HB2 E:ASN51 4.6 42.1 1.0
H7 A:DZP502 4.8 48.4 1.0
CE1 A:HIS105 4.9 35.8 1.0
CB E:ASN51 4.9 39.5 1.0
H4 A:DZP502 5.0 47.5 1.0
HE2 A:PHE103 5.0 29.3 1.0

Chlorine binding site 2 out of 5 in 8bhk

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Chlorine binding site 2 out of 5 in the Gaba-A Receptor A5 Homomer - A5V3 - Diazepam


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Gaba-A Receptor A5 Homomer - A5V3 - Diazepam within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:57.4
occ:1.00
 CL B:DZP502 0.0 57.4 1.0
C9 B:DZP502 1.7 46.4 1.0
C14 B:DZP502 2.7 41.9 1.0
C8 B:DZP502 2.7 48.5 1.0
H8 B:DZP502 2.8 48.2 1.0
H14 B:DZP502 2.8 46.5 1.0
HB3 B:HIS105 2.8 32.9 1.0
HD1 B:HIS105 2.9 35.5 1.0
HZ A:PHE68 3.5 34.6 1.0
HD22 A:ASN51 3.5 43.2 1.0
ND1 B:HIS105 3.7 37.8 1.0
HE1 A:PHE68 3.7 34.5 1.0
CB B:HIS105 3.7 28.9 1.0
ND2 A:ASN51 3.7 46.1 1.0
OD1 A:ASN51 3.9 47.4 1.0
CG A:ASN51 4.0 45.5 1.0
C7 B:DZP502 4.0 48.5 1.0
C13 B:DZP502 4.0 45.0 1.0
HA B:HIS105 4.0 33.8 1.0
CZ A:PHE68 4.1 34.3 1.0
HD21 A:ASN51 4.1 42.5 1.0
CE1 A:PHE68 4.2 34.3 1.0
CG B:HIS105 4.2 32.4 1.0
O B:HIS105 4.2 38.1 1.0
CA B:HIS105 4.3 31.8 1.0
HB2 B:HIS105 4.4 33.9 1.0
C6 B:DZP502 4.5 46.4 1.0
C B:HIS105 4.6 31.4 1.0
HB2 A:ASN51 4.6 42.1 1.0
H7 B:DZP502 4.8 48.4 1.0
CE1 B:HIS105 4.9 35.8 1.0
CB A:ASN51 4.9 39.5 1.0
H4 B:DZP502 5.0 47.5 1.0
HE2 B:PHE103 5.0 29.3 1.0

Chlorine binding site 3 out of 5 in 8bhk

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Chlorine binding site 3 out of 5 in the Gaba-A Receptor A5 Homomer - A5V3 - Diazepam


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Gaba-A Receptor A5 Homomer - A5V3 - Diazepam within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:57.4
occ:1.00
 CL C:DZP502 0.0 57.4 1.0
C9 C:DZP502 1.7 46.4 1.0
C14 C:DZP502 2.7 41.9 1.0
C8 C:DZP502 2.7 48.5 1.0
H8 C:DZP502 2.8 48.2 1.0
H14 C:DZP502 2.8 46.5 1.0
HB3 C:HIS105 2.8 32.9 1.0
HD1 C:HIS105 2.9 35.5 1.0
HD22 B:ASN51 3.5 43.2 1.0
HZ B:PHE68 3.5 34.6 1.0
ND1 C:HIS105 3.7 37.8 1.0
HE1 B:PHE68 3.7 34.5 1.0
CB C:HIS105 3.7 28.9 1.0
ND2 B:ASN51 3.8 46.1 1.0
OD1 B:ASN51 4.0 47.4 1.0
CG B:ASN51 4.0 45.5 1.0
C7 C:DZP502 4.0 48.5 1.0
C13 C:DZP502 4.0 45.0 1.0
HA C:HIS105 4.0 33.8 1.0
CZ B:PHE68 4.1 34.3 1.0
HD21 B:ASN51 4.2 42.5 1.0
CG C:HIS105 4.2 32.4 1.0
CE1 B:PHE68 4.2 34.3 1.0
O C:HIS105 4.2 38.1 1.0
CA C:HIS105 4.3 31.8 1.0
HB2 C:HIS105 4.4 33.9 1.0
C6 C:DZP502 4.5 46.4 1.0
C C:HIS105 4.6 31.4 1.0
HB2 B:ASN51 4.6 42.1 1.0
H7 C:DZP502 4.8 48.4 1.0
CE1 C:HIS105 4.9 35.8 1.0
CB B:ASN51 4.9 39.5 1.0
H4 C:DZP502 5.0 47.5 1.0
HE2 C:PHE103 5.0 29.3 1.0

Chlorine binding site 4 out of 5 in 8bhk

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Chlorine binding site 4 out of 5 in the Gaba-A Receptor A5 Homomer - A5V3 - Diazepam


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Gaba-A Receptor A5 Homomer - A5V3 - Diazepam within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl502

b:57.4
occ:1.00
 CL D:DZP502 0.0 57.4 1.0
C9 D:DZP502 1.7 46.4 1.0
C14 D:DZP502 2.7 41.9 1.0
C8 D:DZP502 2.7 48.5 1.0
H8 D:DZP502 2.8 48.2 1.0
H14 D:DZP502 2.8 46.5 1.0
HB3 D:HIS105 2.8 32.9 1.0
HD1 D:HIS105 2.9 35.5 1.0
HD22 C:ASN51 3.5 43.2 1.0
HZ C:PHE68 3.5 34.6 1.0
ND1 D:HIS105 3.7 37.8 1.0
HE1 C:PHE68 3.7 34.5 1.0
CB D:HIS105 3.7 28.9 1.0
ND2 C:ASN51 3.7 46.1 1.0
OD1 C:ASN51 4.0 47.4 1.0
CG C:ASN51 4.0 45.5 1.0
C7 D:DZP502 4.0 48.5 1.0
C13 D:DZP502 4.0 45.0 1.0
HA D:HIS105 4.0 33.8 1.0
CZ C:PHE68 4.1 34.3 1.0
HD21 C:ASN51 4.2 42.5 1.0
CE1 C:PHE68 4.2 34.3 1.0
CG D:HIS105 4.2 32.4 1.0
O D:HIS105 4.2 38.1 1.0
CA D:HIS105 4.3 31.8 1.0
HB2 D:HIS105 4.4 33.9 1.0
C6 D:DZP502 4.5 46.4 1.0
C D:HIS105 4.6 31.4 1.0
HB2 C:ASN51 4.6 42.1 1.0
H7 D:DZP502 4.8 48.4 1.0
CE1 D:HIS105 4.9 35.8 1.0
CB C:ASN51 4.9 39.5 1.0
H4 D:DZP502 5.0 47.5 1.0
HE2 D:PHE103 5.0 29.3 1.0

Chlorine binding site 5 out of 5 in 8bhk

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Chlorine binding site 5 out of 5 in the Gaba-A Receptor A5 Homomer - A5V3 - Diazepam


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Gaba-A Receptor A5 Homomer - A5V3 - Diazepam within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl502

b:57.4
occ:1.00
 CL E:DZP502 0.0 57.4 1.0
C9 E:DZP502 1.7 46.4 1.0
C14 E:DZP502 2.7 41.9 1.0
C8 E:DZP502 2.7 48.5 1.0
H8 E:DZP502 2.8 48.2 1.0
H14 E:DZP502 2.8 46.5 1.0
HB3 E:HIS105 2.8 32.9 1.0
HD1 E:HIS105 2.9 35.5 1.0
HD22 D:ASN51 3.5 43.2 1.0
HZ D:PHE68 3.5 34.6 1.0
ND1 E:HIS105 3.7 37.8 1.0
HE1 D:PHE68 3.7 34.5 1.0
CB E:HIS105 3.7 28.9 1.0
ND2 D:ASN51 3.7 46.1 1.0
OD1 D:ASN51 3.9 47.4 1.0
CG D:ASN51 4.0 45.5 1.0
C7 E:DZP502 4.0 48.5 1.0
C13 E:DZP502 4.0 45.0 1.0
HA E:HIS105 4.0 33.8 1.0
CZ D:PHE68 4.1 34.3 1.0
HD21 D:ASN51 4.2 42.5 1.0
CE1 D:PHE68 4.2 34.3 1.0
CG E:HIS105 4.2 32.4 1.0
O E:HIS105 4.2 38.1 1.0
CA E:HIS105 4.3 31.8 1.0
HB2 E:HIS105 4.4 33.9 1.0
C6 E:DZP502 4.5 46.4 1.0
C E:HIS105 4.6 31.4 1.0
HB2 D:ASN51 4.6 42.1 1.0
H7 E:DZP502 4.8 48.4 1.0
CE1 E:HIS105 4.9 35.8 1.0
CB D:ASN51 4.9 39.5 1.0
H4 E:DZP502 5.0 47.5 1.0
HE2 E:PHE103 5.0 29.3 1.0

Reference:

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
Page generated: Thu Dec 28 03:03:08 2023

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