Chlorine in PDB 8efl: SR17018-Bound Mu-Opioid Receptor-Gi Complex
Chlorine Binding Sites:
The binding sites of Chlorine atom in the SR17018-Bound Mu-Opioid Receptor-Gi Complex
(pdb code 8efl). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the
SR17018-Bound Mu-Opioid Receptor-Gi Complex, PDB code: 8efl:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
Chlorine binding site 1 out
of 6 in 8efl
Go back to
Chlorine Binding Sites List in 8efl
Chlorine binding site 1 out
of 6 in the SR17018-Bound Mu-Opioid Receptor-Gi Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of SR17018-Bound Mu-Opioid Receptor-Gi Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Cl401
b:35.5
occ:1.00
|
CL1
|
R:WH9401
|
0.0
|
35.5
|
1.0
|
C19
|
R:WH9401
|
1.7
|
35.5
|
1.0
|
C17
|
R:WH9401
|
2.7
|
35.5
|
1.0
|
C16
|
R:WH9401
|
2.7
|
35.5
|
1.0
|
CD2
|
R:HIS299
|
3.7
|
11.6
|
1.0
|
CG2
|
R:VAL302
|
3.8
|
7.5
|
1.0
|
CG1
|
R:ILE298
|
3.9
|
12.1
|
1.0
|
NE2
|
R:HIS299
|
3.9
|
11.6
|
1.0
|
O
|
R:ILE298
|
4.0
|
12.1
|
1.0
|
C14
|
R:WH9401
|
4.0
|
35.5
|
1.0
|
C15
|
R:WH9401
|
4.0
|
35.5
|
1.0
|
CG
|
R:HIS299
|
4.0
|
11.6
|
1.0
|
CA
|
R:HIS299
|
4.0
|
11.6
|
1.0
|
C
|
R:ILE298
|
4.1
|
12.1
|
1.0
|
N
|
R:HIS299
|
4.2
|
11.6
|
1.0
|
CE1
|
R:HIS299
|
4.3
|
11.6
|
1.0
|
CB
|
R:VAL302
|
4.3
|
7.5
|
1.0
|
ND1
|
R:HIS299
|
4.3
|
11.6
|
1.0
|
CG2
|
R:ILE298
|
4.5
|
12.1
|
1.0
|
C18
|
R:WH9401
|
4.5
|
35.5
|
1.0
|
CB
|
R:ILE298
|
4.6
|
12.1
|
1.0
|
CB
|
R:HIS299
|
4.6
|
11.6
|
1.0
|
CG1
|
R:VAL302
|
4.7
|
7.5
|
1.0
|
CD1
|
R:ILE298
|
4.9
|
12.1
|
1.0
|
CA
|
R:ILE298
|
5.0
|
12.1
|
1.0
|
|
Chlorine binding site 2 out
of 6 in 8efl
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Chlorine Binding Sites List in 8efl
Chlorine binding site 2 out
of 6 in the SR17018-Bound Mu-Opioid Receptor-Gi Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of SR17018-Bound Mu-Opioid Receptor-Gi Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Cl401
b:35.5
occ:1.00
|
CL2
|
R:WH9401
|
0.0
|
35.5
|
1.0
|
C04
|
R:WH9401
|
1.7
|
35.5
|
1.0
|
C02
|
R:WH9401
|
2.7
|
35.5
|
1.0
|
C06
|
R:WH9401
|
2.7
|
35.5
|
1.0
|
CL3
|
R:WH9401
|
3.1
|
35.5
|
1.0
|
CG1
|
R:VAL145
|
3.5
|
16.9
|
1.0
|
CG
|
R:GLN126
|
3.5
|
22.3
|
1.0
|
NE2
|
R:GLN126
|
3.8
|
22.3
|
1.0
|
C01
|
R:WH9401
|
4.0
|
35.5
|
1.0
|
C05
|
R:WH9401
|
4.0
|
35.5
|
1.0
|
CD
|
R:GLN126
|
4.2
|
22.3
|
1.0
|
CG1
|
R:ILE146
|
4.4
|
16.5
|
1.0
|
O
|
R:THR122
|
4.4
|
12.7
|
1.0
|
C03
|
R:WH9401
|
4.5
|
35.5
|
1.0
|
CB
|
R:VAL145
|
4.5
|
16.9
|
1.0
|
OD2
|
R:ASP149
|
4.7
|
15.1
|
1.0
|
CB
|
R:GLN126
|
4.7
|
22.3
|
1.0
|
N
|
R:GLN126
|
4.8
|
22.3
|
1.0
|
C
|
R:VAL145
|
4.8
|
16.9
|
1.0
|
N
|
R:ILE146
|
4.8
|
16.5
|
1.0
|
CA
|
R:GLN126
|
4.9
|
22.3
|
1.0
|
O
|
R:VAL145
|
4.9
|
16.9
|
1.0
|
CA
|
R:ILE146
|
5.0
|
16.5
|
1.0
|
|
Chlorine binding site 3 out
of 6 in 8efl
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Chlorine Binding Sites List in 8efl
Chlorine binding site 3 out
of 6 in the SR17018-Bound Mu-Opioid Receptor-Gi Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of SR17018-Bound Mu-Opioid Receptor-Gi Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:Cl401
b:35.5
occ:1.00
|
CL3
|
R:WH9401
|
0.0
|
35.5
|
1.0
|
C02
|
R:WH9401
|
1.7
|
35.5
|
1.0
|
C04
|
R:WH9401
|
2.7
|
35.5
|
1.0
|
C01
|
R:WH9401
|
2.7
|
35.5
|
1.0
|
CL2
|
R:WH9401
|
3.1
|
35.5
|
1.0
|
ND2
|
R:ASN129
|
3.1
|
26.2
|
1.0
|
CZ3
|
R:TRP135
|
3.5
|
28.9
|
1.0
|
SG
|
R:CYS219
|
3.6
|
30.3
|
1.0
|
CB
|
R:CYS219
|
3.8
|
30.3
|
1.0
|
CE3
|
R:TRP135
|
3.9
|
28.9
|
1.0
|
CH2
|
R:TRP135
|
3.9
|
28.9
|
1.0
|
C03
|
R:WH9401
|
4.0
|
35.5
|
1.0
|
C06
|
R:WH9401
|
4.0
|
35.5
|
1.0
|
CG
|
R:ASN129
|
4.2
|
26.2
|
1.0
|
O
|
R:CYS219
|
4.3
|
30.3
|
1.0
|
CB
|
R:ASN129
|
4.4
|
26.2
|
1.0
|
C05
|
R:WH9401
|
4.5
|
35.5
|
1.0
|
CD2
|
R:TRP135
|
4.7
|
28.9
|
1.0
|
CZ2
|
R:TRP135
|
4.7
|
28.9
|
1.0
|
CG
|
R:GLN126
|
4.8
|
22.3
|
1.0
|
CA
|
R:GLN126
|
4.9
|
22.3
|
1.0
|
O
|
R:PHE125
|
5.0
|
22.2
|
1.0
|
|
Chlorine binding site 4 out
of 6 in 8efl
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Chlorine Binding Sites List in 8efl
Chlorine binding site 4 out
of 6 in the SR17018-Bound Mu-Opioid Receptor-Gi Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of SR17018-Bound Mu-Opioid Receptor-Gi Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Cl401
b:39.8
occ:1.00
|
CL1
|
M:WH9401
|
0.0
|
39.8
|
1.0
|
C19
|
M:WH9401
|
1.7
|
39.8
|
1.0
|
C17
|
M:WH9401
|
2.7
|
39.8
|
1.0
|
C16
|
M:WH9401
|
2.7
|
39.8
|
1.0
|
CD2
|
M:HIS299
|
3.6
|
11.4
|
1.0
|
NE2
|
M:HIS299
|
3.8
|
11.4
|
1.0
|
C14
|
M:WH9401
|
4.0
|
39.8
|
1.0
|
C15
|
M:WH9401
|
4.0
|
39.8
|
1.0
|
CG2
|
M:VAL302
|
4.1
|
11.7
|
1.0
|
CG
|
M:HIS299
|
4.1
|
11.4
|
1.0
|
CB
|
M:VAL302
|
4.3
|
11.7
|
1.0
|
CA
|
M:HIS299
|
4.3
|
11.4
|
1.0
|
CE1
|
M:HIS299
|
4.4
|
11.4
|
1.0
|
CG1
|
M:VAL302
|
4.5
|
11.7
|
1.0
|
O
|
M:ILE298
|
4.5
|
12.4
|
1.0
|
C18
|
M:WH9401
|
4.5
|
39.8
|
1.0
|
ND1
|
M:HIS299
|
4.5
|
11.4
|
1.0
|
CG1
|
M:ILE298
|
4.6
|
12.4
|
1.0
|
N
|
M:HIS299
|
4.7
|
11.4
|
1.0
|
CG1
|
M:VAL238
|
4.7
|
25.6
|
1.0
|
C
|
M:ILE298
|
4.7
|
12.4
|
1.0
|
CB
|
M:HIS299
|
4.8
|
11.4
|
1.0
|
|
Chlorine binding site 5 out
of 6 in 8efl
Go back to
Chlorine Binding Sites List in 8efl
Chlorine binding site 5 out
of 6 in the SR17018-Bound Mu-Opioid Receptor-Gi Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of SR17018-Bound Mu-Opioid Receptor-Gi Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Cl401
b:39.8
occ:1.00
|
CL2
|
M:WH9401
|
0.0
|
39.8
|
1.0
|
C04
|
M:WH9401
|
1.7
|
39.8
|
1.0
|
C02
|
M:WH9401
|
2.7
|
39.8
|
1.0
|
C06
|
M:WH9401
|
2.7
|
39.8
|
1.0
|
CL3
|
M:WH9401
|
3.1
|
39.8
|
1.0
|
CG
|
M:GLN126
|
3.5
|
27.3
|
1.0
|
CG1
|
M:VAL145
|
3.5
|
20.0
|
1.0
|
C01
|
M:WH9401
|
4.0
|
39.8
|
1.0
|
NE2
|
M:GLN126
|
4.0
|
27.3
|
1.0
|
C05
|
M:WH9401
|
4.0
|
39.8
|
1.0
|
O
|
M:THR122
|
4.1
|
19.9
|
1.0
|
CD
|
M:GLN126
|
4.3
|
27.3
|
1.0
|
N
|
M:GLN126
|
4.4
|
27.3
|
1.0
|
C03
|
M:WH9401
|
4.5
|
39.8
|
1.0
|
CB
|
M:PHE125
|
4.5
|
27.9
|
1.0
|
CB
|
M:GLN126
|
4.7
|
27.3
|
1.0
|
OD2
|
M:ASP149
|
4.7
|
16.9
|
1.0
|
CA
|
M:GLN126
|
4.7
|
27.3
|
1.0
|
CB
|
M:VAL145
|
4.8
|
20.0
|
1.0
|
CB
|
M:THR122
|
4.8
|
19.9
|
1.0
|
C
|
M:PHE125
|
4.9
|
27.9
|
1.0
|
|
Chlorine binding site 6 out
of 6 in 8efl
Go back to
Chlorine Binding Sites List in 8efl
Chlorine binding site 6 out
of 6 in the SR17018-Bound Mu-Opioid Receptor-Gi Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of SR17018-Bound Mu-Opioid Receptor-Gi Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Cl401
b:39.8
occ:1.00
|
CL3
|
M:WH9401
|
0.0
|
39.8
|
1.0
|
C02
|
M:WH9401
|
1.7
|
39.8
|
1.0
|
C01
|
M:WH9401
|
2.7
|
39.8
|
1.0
|
C04
|
M:WH9401
|
2.7
|
39.8
|
1.0
|
CL2
|
M:WH9401
|
3.1
|
39.8
|
1.0
|
ND2
|
M:ASN129
|
3.4
|
33.3
|
1.0
|
CZ3
|
M:TRP135
|
3.4
|
36.4
|
1.0
|
CE3
|
M:TRP135
|
3.7
|
36.4
|
1.0
|
SG
|
M:CYS219
|
3.8
|
37.2
|
1.0
|
C03
|
M:WH9401
|
4.0
|
39.8
|
1.0
|
C06
|
M:WH9401
|
4.0
|
39.8
|
1.0
|
CB
|
M:CYS219
|
4.0
|
37.2
|
1.0
|
CH2
|
M:TRP135
|
4.1
|
36.4
|
1.0
|
CG
|
M:ASN129
|
4.3
|
33.3
|
1.0
|
CB
|
M:ASN129
|
4.4
|
33.3
|
1.0
|
C05
|
M:WH9401
|
4.5
|
39.8
|
1.0
|
O
|
M:CYS219
|
4.5
|
37.2
|
1.0
|
CD2
|
M:TRP135
|
4.7
|
36.4
|
1.0
|
O
|
M:PHE125
|
4.7
|
27.9
|
1.0
|
C
|
M:PHE125
|
5.0
|
27.9
|
1.0
|
CZ2
|
M:TRP135
|
5.0
|
36.4
|
1.0
|
|
Reference:
Y.Zhuang,
Y.Wang,
B.He,
X.He,
X.E.Zhou,
S.Guo,
Q.Rao,
J.Yang,
J.Liu,
Q.Zhou,
X.Wang,
M.Liu,
W.Liu,
X.Jiang,
D.Yang,
H.Jiang,
J.Shen,
K.Melcher,
H.Chen,
Y.Jiang,
X.Cheng,
M.W.Wang,
X.Xie,
H.E.Xu.
Molecular Recognition of Morphine and Fentanyl By the Human Mu-Opioid Receptor. Cell V. 185 4361 2022.
ISSN: ISSN 1097-4172
PubMed: 36368306
DOI: 10.1016/J.CELL.2022.09.041
Page generated: Tue Jul 30 09:01:07 2024
|