Chlorine in PDB 4hfh: The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform
Protein crystallography data
The structure of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform, PDB code: 4hfh
was solved by
L.Sauguet,
R.J.Howard,
L.Malherbe,
U.S.Lee,
P.J.Corringer,
R.A.Harris,
M.Delarue,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
21.71 /
2.65
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
181.000,
132.650,
159.270,
90.00,
102.16,
90.00
|
R / Rfree (%)
|
20.2 /
21.3
|
Other elements in 4hfh:
The structure of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform
(pdb code 4hfh). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the
The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform, PDB code: 4hfh:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
Chlorine binding site 1 out
of 7 in 4hfh
Go back to
Chlorine Binding Sites List in 4hfh
Chlorine binding site 1 out
of 7 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl406
b:65.6
occ:1.00
|
N
|
A:PHE78
|
3.4
|
61.2
|
1.0
|
N
|
A:ARG85
|
3.5
|
67.4
|
1.0
|
NH1
|
A:ARG85
|
3.5
|
63.7
|
1.0
|
CD2
|
A:PHE78
|
3.7
|
73.2
|
1.0
|
CB
|
A:PHE78
|
3.9
|
64.6
|
1.0
|
CA
|
A:ALA84
|
3.9
|
67.1
|
1.0
|
CA
|
A:ARG77
|
4.1
|
59.2
|
1.0
|
CG
|
A:ARG85
|
4.1
|
69.8
|
1.0
|
CG2
|
A:VAL81
|
4.1
|
59.1
|
1.0
|
CB
|
A:ARG85
|
4.1
|
64.7
|
1.0
|
CA
|
A:PHE78
|
4.2
|
61.4
|
1.0
|
C
|
A:ARG77
|
4.2
|
63.8
|
1.0
|
C
|
A:ALA84
|
4.2
|
72.3
|
1.0
|
CD
|
A:ARG85
|
4.3
|
73.1
|
1.0
|
CG
|
A:PHE78
|
4.3
|
68.9
|
1.0
|
CB
|
A:ARG77
|
4.3
|
57.7
|
1.0
|
O
|
A:PHE78
|
4.3
|
60.1
|
1.0
|
CB
|
A:ALA84
|
4.4
|
68.1
|
1.0
|
CA
|
A:ARG85
|
4.4
|
66.6
|
1.0
|
CZ
|
A:ARG85
|
4.6
|
79.1
|
1.0
|
CG
|
A:ARG77
|
4.6
|
64.7
|
1.0
|
CE2
|
A:PHE78
|
4.7
|
77.2
|
1.0
|
C
|
A:PHE78
|
4.8
|
61.5
|
1.0
|
NE
|
A:ARG85
|
4.9
|
75.2
|
1.0
|
|
Chlorine binding site 2 out
of 7 in 4hfh
Go back to
Chlorine Binding Sites List in 4hfh
Chlorine binding site 2 out
of 7 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl407
b:77.9
occ:1.00
|
N
|
A:LEU180
|
3.2
|
59.8
|
1.0
|
OD1
|
A:ASN139
|
3.3
|
73.0
|
1.0
|
CB
|
A:LEU180
|
3.8
|
59.1
|
1.0
|
CA
|
A:ARG179
|
3.8
|
61.8
|
1.0
|
C
|
A:ARG179
|
4.0
|
64.0
|
1.0
|
CA
|
A:LEU180
|
4.1
|
58.8
|
1.0
|
O
|
A:ASP178
|
4.2
|
70.1
|
1.0
|
CG
|
A:ASN139
|
4.4
|
86.6
|
1.0
|
CB
|
A:SER134
|
4.5
|
67.6
|
1.0
|
CD
|
A:ARG179
|
4.5
|
78.7
|
1.0
|
CB
|
A:ARG179
|
4.6
|
60.2
|
1.0
|
N
|
A:ARG179
|
4.8
|
63.3
|
1.0
|
C
|
A:ASP178
|
4.8
|
69.4
|
1.0
|
CG
|
A:ARG179
|
4.9
|
68.0
|
1.0
|
|
Chlorine binding site 3 out
of 7 in 4hfh
Go back to
Chlorine Binding Sites List in 4hfh
Chlorine binding site 3 out
of 7 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl408
b:93.6
occ:1.00
|
N
|
A:ALA175
|
3.6
|
59.0
|
1.0
|
CB
|
A:ALA175
|
3.9
|
61.1
|
1.0
|
CA
|
A:PHE174
|
4.2
|
59.7
|
1.0
|
C
|
A:PHE174
|
4.3
|
62.2
|
1.0
|
CA
|
A:ALA175
|
4.4
|
59.1
|
1.0
|
CB
|
A:PHE174
|
4.5
|
60.7
|
1.0
|
O
|
A:ALA175
|
5.0
|
62.9
|
1.0
|
|
Chlorine binding site 4 out
of 7 in 4hfh
Go back to
Chlorine Binding Sites List in 4hfh
Chlorine binding site 4 out
of 7 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl406
b:66.0
occ:1.00
|
N
|
B:PHE78
|
3.3
|
60.1
|
1.0
|
NH1
|
B:ARG85
|
3.5
|
65.0
|
1.0
|
CD2
|
B:PHE78
|
3.5
|
69.9
|
1.0
|
N
|
B:ARG85
|
3.5
|
71.2
|
1.0
|
CB
|
B:PHE78
|
3.8
|
62.7
|
1.0
|
CG
|
B:ARG85
|
4.0
|
71.2
|
1.0
|
CA
|
B:ARG77
|
4.0
|
58.5
|
1.0
|
CA
|
B:ALA84
|
4.1
|
73.1
|
1.0
|
CB
|
B:ARG85
|
4.1
|
67.7
|
1.0
|
CA
|
B:PHE78
|
4.1
|
60.5
|
1.0
|
CG2
|
B:VAL81
|
4.1
|
60.0
|
1.0
|
CG
|
B:PHE78
|
4.1
|
65.8
|
1.0
|
C
|
B:ARG77
|
4.1
|
62.0
|
1.0
|
CD
|
B:ARG85
|
4.1
|
72.9
|
1.0
|
C
|
B:ALA84
|
4.3
|
76.2
|
1.0
|
O
|
B:PHE78
|
4.3
|
64.9
|
1.0
|
CB
|
B:ARG77
|
4.3
|
57.3
|
1.0
|
CA
|
B:ARG85
|
4.4
|
70.3
|
1.0
|
CZ
|
B:ARG85
|
4.5
|
80.0
|
1.0
|
CB
|
B:ALA84
|
4.5
|
74.6
|
1.0
|
CE2
|
B:PHE78
|
4.6
|
73.5
|
1.0
|
CG
|
B:ARG77
|
4.7
|
65.8
|
1.0
|
C
|
B:PHE78
|
4.7
|
64.0
|
1.0
|
NE
|
B:ARG85
|
4.8
|
73.2
|
1.0
|
|
Chlorine binding site 5 out
of 7 in 4hfh
Go back to
Chlorine Binding Sites List in 4hfh
Chlorine binding site 5 out
of 7 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl406
b:63.2
occ:1.00
|
N
|
C:PHE78
|
3.4
|
64.1
|
1.0
|
NH1
|
C:ARG85
|
3.5
|
57.7
|
1.0
|
N
|
C:ARG85
|
3.5
|
69.5
|
1.0
|
CD2
|
C:PHE78
|
3.7
|
73.4
|
1.0
|
CB
|
C:PHE78
|
3.9
|
66.4
|
1.0
|
CA
|
C:ALA84
|
4.0
|
69.7
|
1.0
|
CG
|
C:ARG85
|
4.0
|
66.6
|
1.0
|
CA
|
C:ARG77
|
4.1
|
62.1
|
1.0
|
CG2
|
C:VAL81
|
4.1
|
64.5
|
1.0
|
CB
|
C:ARG85
|
4.1
|
65.9
|
1.0
|
CA
|
C:PHE78
|
4.2
|
64.1
|
1.0
|
CD
|
C:ARG85
|
4.2
|
66.9
|
1.0
|
C
|
C:ARG77
|
4.2
|
66.6
|
1.0
|
C
|
C:ALA84
|
4.3
|
73.7
|
1.0
|
CG
|
C:PHE78
|
4.3
|
69.5
|
1.0
|
CB
|
C:ARG77
|
4.3
|
60.8
|
1.0
|
O
|
C:PHE78
|
4.4
|
65.1
|
1.0
|
CA
|
C:ARG85
|
4.4
|
68.5
|
1.0
|
CB
|
C:ALA84
|
4.5
|
70.9
|
1.0
|
CZ
|
C:ARG85
|
4.6
|
77.2
|
1.0
|
CG
|
C:ARG77
|
4.6
|
68.4
|
1.0
|
CE2
|
C:PHE78
|
4.7
|
76.9
|
1.0
|
C
|
C:PHE78
|
4.8
|
65.5
|
1.0
|
NE
|
C:ARG85
|
4.8
|
67.7
|
1.0
|
|
Chlorine binding site 6 out
of 7 in 4hfh
Go back to
Chlorine Binding Sites List in 4hfh
Chlorine binding site 6 out
of 7 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl406
b:66.8
occ:1.00
|
N
|
D:PHE78
|
3.3
|
58.3
|
1.0
|
NH1
|
D:ARG85
|
3.4
|
61.8
|
1.0
|
CD2
|
D:PHE78
|
3.5
|
68.6
|
1.0
|
N
|
D:ARG85
|
3.5
|
66.5
|
1.0
|
CB
|
D:PHE78
|
3.8
|
61.1
|
1.0
|
CG
|
D:ARG85
|
3.9
|
66.7
|
1.0
|
CA
|
D:ARG77
|
4.0
|
55.5
|
1.0
|
CB
|
D:ARG85
|
4.0
|
63.0
|
1.0
|
CD
|
D:ARG85
|
4.1
|
67.6
|
1.0
|
CG
|
D:PHE78
|
4.1
|
64.5
|
1.0
|
CA
|
D:ALA84
|
4.1
|
66.9
|
1.0
|
C
|
D:ARG77
|
4.1
|
60.1
|
1.0
|
CA
|
D:PHE78
|
4.1
|
58.5
|
1.0
|
CG2
|
D:VAL81
|
4.2
|
61.3
|
1.0
|
C
|
D:ALA84
|
4.3
|
71.0
|
1.0
|
CB
|
D:ARG77
|
4.3
|
53.0
|
1.0
|
CA
|
D:ARG85
|
4.4
|
65.8
|
1.0
|
O
|
D:PHE78
|
4.4
|
61.3
|
1.0
|
CZ
|
D:ARG85
|
4.4
|
78.3
|
1.0
|
CE2
|
D:PHE78
|
4.5
|
72.5
|
1.0
|
CB
|
D:ALA84
|
4.6
|
68.0
|
1.0
|
NE
|
D:ARG85
|
4.7
|
72.7
|
1.0
|
CG
|
D:ARG77
|
4.7
|
57.0
|
1.0
|
C
|
D:PHE78
|
4.8
|
61.1
|
1.0
|
O
|
D:ILE76
|
4.9
|
60.8
|
1.0
|
|
Chlorine binding site 7 out
of 7 in 4hfh
Go back to
Chlorine Binding Sites List in 4hfh
Chlorine binding site 7 out
of 7 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl406
b:71.0
occ:1.00
|
N
|
E:PHE78
|
3.3
|
62.3
|
1.0
|
NH1
|
E:ARG85
|
3.4
|
65.6
|
1.0
|
N
|
E:ARG85
|
3.6
|
70.1
|
1.0
|
CD2
|
E:PHE78
|
3.6
|
71.8
|
1.0
|
CB
|
E:PHE78
|
3.8
|
64.5
|
1.0
|
CA
|
E:ARG77
|
4.0
|
61.2
|
1.0
|
CG
|
E:ARG85
|
4.0
|
72.1
|
1.0
|
CA
|
E:ALA84
|
4.1
|
71.7
|
1.0
|
CA
|
E:PHE78
|
4.1
|
62.0
|
1.0
|
C
|
E:ARG77
|
4.1
|
65.1
|
1.0
|
CB
|
E:ARG85
|
4.1
|
66.6
|
1.0
|
CG2
|
E:VAL81
|
4.1
|
64.1
|
1.0
|
CG
|
E:PHE78
|
4.2
|
67.7
|
1.0
|
CD
|
E:ARG85
|
4.2
|
69.3
|
1.0
|
CB
|
E:ARG77
|
4.3
|
59.3
|
1.0
|
C
|
E:ALA84
|
4.3
|
75.4
|
1.0
|
O
|
E:PHE78
|
4.3
|
63.5
|
1.0
|
CA
|
E:ARG85
|
4.5
|
69.1
|
1.0
|
CZ
|
E:ARG85
|
4.5
|
83.0
|
1.0
|
CB
|
E:ALA84
|
4.6
|
72.9
|
1.0
|
CE2
|
E:PHE78
|
4.6
|
75.3
|
1.0
|
CG
|
E:ARG77
|
4.6
|
68.2
|
1.0
|
C
|
E:PHE78
|
4.7
|
63.5
|
1.0
|
NE
|
E:ARG85
|
4.8
|
71.4
|
1.0
|
O
|
E:ILE76
|
5.0
|
67.0
|
1.0
|
|
Reference:
L.Sauguet,
R.J.Howard,
L.Malherbe,
U.S.Lee,
P.J.Corringer,
R.A.Harris,
M.Delarue.
Structural Basis For Potentiation By Alcohols and Anaesthetics in A Ligand-Gated Ion Channel. Nat Commun V. 4 1697 2013.
ISSN: ESSN 2041-1723
PubMed: 23591864
DOI: 10.1038/NCOMMS2682
Page generated: Sun Jul 21 15:47:52 2024
|