Chlorine in PDB 7ljc: Allosteric Modulator LY3154207 Binding to Skf-81297-Bound Dopamine Receptor 1 in Complex with Minigs Protein
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Allosteric Modulator LY3154207 Binding to Skf-81297-Bound Dopamine Receptor 1 in Complex with Minigs Protein
(pdb code 7ljc). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the
Allosteric Modulator LY3154207 Binding to Skf-81297-Bound Dopamine Receptor 1 in Complex with Minigs Protein, PDB code: 7ljc:
Jump to Chlorine binding site number:
1;
2;
3;
Chlorine binding site 1 out
of 3 in 7ljc
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Chlorine Binding Sites List in 7ljc
Chlorine binding site 1 out
of 3 in the Allosteric Modulator LY3154207 Binding to Skf-81297-Bound Dopamine Receptor 1 in Complex with Minigs Protein
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Allosteric Modulator LY3154207 Binding to Skf-81297-Bound Dopamine Receptor 1 in Complex with Minigs Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Cl501
b:87.6
occ:1.00
|
CL01
|
R:SK0501
|
0.0
|
87.6
|
1.0
|
C04
|
R:SK0501
|
1.7
|
51.8
|
1.0
|
C06
|
R:SK0501
|
2.7
|
41.5
|
1.0
|
C02
|
R:SK0501
|
2.7
|
37.0
|
1.0
|
C09
|
R:SK0501
|
2.9
|
38.2
|
1.0
|
O02
|
R:SK0501
|
2.9
|
60.5
|
1.0
|
OG
|
R:SER202
|
3.3
|
77.0
|
1.0
|
CZ
|
R:PHE289
|
3.5
|
31.1
|
1.0
|
OG1
|
R:THR108
|
3.6
|
51.2
|
1.0
|
C05
|
R:SK0501
|
4.0
|
43.6
|
1.0
|
C10
|
R:SK0501
|
4.0
|
41.7
|
1.0
|
CE1
|
R:PHE289
|
4.0
|
32.1
|
1.0
|
C01
|
R:SK0501
|
4.0
|
34.4
|
1.0
|
CB
|
R:SER202
|
4.2
|
59.7
|
1.0
|
CB
|
R:SER107
|
4.2
|
56.8
|
1.0
|
O
|
R:ILE104
|
4.3
|
59.4
|
1.0
|
N
|
R:THR108
|
4.4
|
27.6
|
1.0
|
C03
|
R:SK0501
|
4.5
|
42.9
|
1.0
|
CE2
|
R:PHE289
|
4.6
|
31.8
|
1.0
|
CE2
|
R:PHE288
|
4.6
|
51.4
|
1.0
|
OG
|
R:SER198
|
4.7
|
84.4
|
1.0
|
CA
|
R:ILE104
|
4.7
|
27.7
|
1.0
|
CB
|
R:THR108
|
4.8
|
38.7
|
1.0
|
CA
|
R:THR108
|
4.8
|
25.7
|
1.0
|
C
|
R:SER107
|
4.8
|
40.5
|
1.0
|
O
|
R:ASP103
|
4.9
|
58.5
|
1.0
|
C
|
R:ILE104
|
5.0
|
31.0
|
1.0
|
CG2
|
R:ILE104
|
5.0
|
39.6
|
1.0
|
|
Chlorine binding site 2 out
of 3 in 7ljc
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Chlorine Binding Sites List in 7ljc
Chlorine binding site 2 out
of 3 in the Allosteric Modulator LY3154207 Binding to Skf-81297-Bound Dopamine Receptor 1 in Complex with Minigs Protein
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Allosteric Modulator LY3154207 Binding to Skf-81297-Bound Dopamine Receptor 1 in Complex with Minigs Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Cl502
b:59.6
occ:1.00
|
CL9
|
R:G4C502
|
0.0
|
59.6
|
1.0
|
C08
|
R:G4C502
|
1.8
|
59.6
|
1.0
|
C10
|
R:G4C502
|
2.7
|
59.6
|
1.0
|
C07
|
R:G4C502
|
2.7
|
59.6
|
1.0
|
C06
|
R:G4C502
|
3.0
|
59.6
|
1.0
|
NH2
|
R:ARG130
|
3.6
|
90.2
|
1.0
|
CZ
|
R:ARG130
|
3.7
|
78.3
|
1.0
|
O15
|
R:G4C502
|
3.7
|
59.6
|
1.0
|
C05
|
R:G4C502
|
3.8
|
59.6
|
1.0
|
NH1
|
R:ARG130
|
3.8
|
85.1
|
1.0
|
NE1
|
R:TRP123
|
3.9
|
29.7
|
1.0
|
C11
|
R:G4C502
|
4.0
|
59.6
|
1.0
|
C13
|
R:G4C502
|
4.0
|
59.6
|
1.0
|
CE2
|
R:TRP123
|
4.2
|
20.8
|
1.0
|
CZ2
|
R:TRP123
|
4.2
|
30.4
|
1.0
|
NE
|
R:ARG130
|
4.2
|
52.3
|
1.0
|
C12
|
R:G4C502
|
4.5
|
59.6
|
1.0
|
CD1
|
R:TRP123
|
4.7
|
23.8
|
1.0
|
|
Chlorine binding site 3 out
of 3 in 7ljc
Go back to
Chlorine Binding Sites List in 7ljc
Chlorine binding site 3 out
of 3 in the Allosteric Modulator LY3154207 Binding to Skf-81297-Bound Dopamine Receptor 1 in Complex with Minigs Protein
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Allosteric Modulator LY3154207 Binding to Skf-81297-Bound Dopamine Receptor 1 in Complex with Minigs Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Cl502
b:59.6
occ:1.00
|
CL4
|
R:G4C502
|
0.0
|
59.6
|
1.0
|
C13
|
R:G4C502
|
1.8
|
59.6
|
1.0
|
C12
|
R:G4C502
|
2.7
|
59.6
|
1.0
|
C07
|
R:G4C502
|
2.7
|
59.6
|
1.0
|
C06
|
R:G4C502
|
3.1
|
59.6
|
1.0
|
C05
|
R:G4C502
|
3.5
|
59.6
|
1.0
|
C17
|
R:G4C502
|
3.6
|
59.6
|
1.0
|
CG
|
R:TRP123
|
3.8
|
30.6
|
1.0
|
CD2
|
R:TRP123
|
3.8
|
22.0
|
1.0
|
CB
|
R:TRP123
|
3.8
|
43.0
|
1.0
|
CE3
|
R:TRP123
|
3.9
|
31.6
|
1.0
|
O
|
R:ARG130
|
3.9
|
59.2
|
1.0
|
CA
|
R:TYR131
|
3.9
|
32.2
|
1.0
|
N04
|
R:G4C502
|
4.0
|
59.6
|
1.0
|
O15
|
R:G4C502
|
4.0
|
59.6
|
1.0
|
C11
|
R:G4C502
|
4.0
|
59.6
|
1.0
|
C08
|
R:G4C502
|
4.0
|
59.6
|
1.0
|
C16
|
R:G4C502
|
4.2
|
59.6
|
1.0
|
CD1
|
R:TYR131
|
4.3
|
33.7
|
1.0
|
C
|
R:ARG130
|
4.3
|
36.3
|
1.0
|
N
|
R:TYR131
|
4.3
|
37.6
|
1.0
|
CB
|
R:LYS134
|
4.3
|
47.2
|
1.0
|
CB
|
R:MET135
|
4.5
|
55.0
|
1.0
|
N
|
R:MET135
|
4.5
|
37.3
|
1.0
|
C10
|
R:G4C502
|
4.5
|
59.6
|
1.0
|
CB
|
R:TYR131
|
4.6
|
37.8
|
1.0
|
CD1
|
R:TRP123
|
4.6
|
23.8
|
1.0
|
CG
|
R:ARG130
|
4.6
|
52.1
|
1.0
|
CE2
|
R:TRP123
|
4.6
|
20.8
|
1.0
|
CZ3
|
R:TRP123
|
4.7
|
38.5
|
1.0
|
CE
|
R:MET135
|
4.8
|
80.7
|
1.0
|
O
|
R:TYR131
|
4.9
|
70.2
|
1.0
|
C
|
R:TYR131
|
4.9
|
40.7
|
1.0
|
CA
|
R:TRP123
|
4.9
|
32.4
|
1.0
|
CG
|
R:TYR131
|
4.9
|
37.5
|
1.0
|
CA
|
R:MET135
|
4.9
|
45.6
|
1.0
|
|
Reference:
Y.Zhuang,
B.Krumm,
H.Zhang,
X.E.Zhou,
Y.Wang,
J.Guo,
X.-P.Huang,
Y.Liu,
L.Wang,
X.Cheng,
Y.Jiang,
H.Jiang,
K.Melcher,
C.Zhang,
W.Yi,
B.L.Roth,
Y.Zhang,
H.E.Xu.
Mechanism of Dopamine Binding and Allosteric Modulation of the Human D1 Dopamine Receptor Biorxiv 2021.
DOI: 10.1101/2021.02.07.430101
Page generated: Sat Apr 3 14:43:39 2021
|