Fluorine in PDB 8jpc: Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2
Enzymatic activity of Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2
All present enzymatic activity of Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2:
2.7.11.15;
Other elements in 8jpc:
The structure of Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2 also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2
(pdb code 8jpc). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 5 binding sites of Fluorine where determined in the
Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2, PDB code: 8jpc:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
Fluorine binding site 1 out
of 5 in 8jpc
Go back to
Fluorine Binding Sites List in 8jpc
Fluorine binding site 1 out
of 5 in the Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:F501
b:54.0
occ:1.00
|
F1
|
R:SRW501
|
0.0
|
54.0
|
1.0
|
C24
|
R:SRW501
|
1.4
|
40.6
|
1.0
|
C14
|
R:SRW501
|
2.4
|
39.7
|
1.0
|
C26
|
R:SRW501
|
2.4
|
50.7
|
1.0
|
C25
|
R:SRW501
|
2.4
|
51.2
|
1.0
|
CD
|
R:ARG166
|
2.8
|
48.1
|
1.0
|
N2
|
R:SRW501
|
3.0
|
47.8
|
1.0
|
NE
|
R:ARG166
|
3.0
|
44.9
|
1.0
|
N3
|
R:SRW501
|
3.4
|
49.2
|
1.0
|
CG
|
R:ARG166
|
3.8
|
43.4
|
1.0
|
CB
|
R:ARG166
|
3.9
|
36.5
|
1.0
|
CZ
|
R:ARG166
|
4.0
|
37.1
|
1.0
|
C13
|
R:SRW501
|
4.1
|
45.0
|
1.0
|
CG2
|
R:ILE259
|
4.5
|
53.5
|
1.0
|
C15
|
R:SRW501
|
4.5
|
52.1
|
1.0
|
CD2
|
R:LEU305
|
4.5
|
33.9
|
1.0
|
NH2
|
R:ARG166
|
4.6
|
31.6
|
1.0
|
CD1
|
R:LEU305
|
4.6
|
34.3
|
1.0
|
C16
|
R:SRW501
|
4.7
|
41.3
|
1.0
|
NH1
|
R:ARG166
|
4.7
|
34.0
|
1.0
|
CG
|
R:LEU305
|
4.9
|
28.4
|
1.0
|
|
Fluorine binding site 2 out
of 5 in 8jpc
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Fluorine Binding Sites List in 8jpc
Fluorine binding site 2 out
of 5 in the Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Q:F403
b:96.7
occ:1.00
|
F1
|
Q:ALF403
|
0.0
|
96.7
|
1.0
|
AL
|
Q:ALF403
|
1.8
|
96.7
|
1.0
|
F4
|
Q:ALF403
|
2.5
|
96.7
|
1.0
|
F3
|
Q:ALF403
|
2.5
|
96.7
|
1.0
|
NH2
|
Q:ARG183
|
2.8
|
103.4
|
1.0
|
O2B
|
Q:GDP401
|
2.8
|
99.5
|
1.0
|
O2A
|
Q:GDP401
|
2.8
|
99.5
|
1.0
|
NH1
|
Q:ARG183
|
3.1
|
103.4
|
1.0
|
CZ
|
Q:ARG183
|
3.2
|
103.4
|
1.0
|
F2
|
Q:ALF403
|
3.6
|
96.7
|
1.0
|
CA
|
Q:PRO185
|
3.8
|
95.8
|
1.0
|
O3B
|
Q:GDP401
|
3.9
|
99.5
|
1.0
|
PB
|
Q:GDP401
|
3.9
|
99.5
|
1.0
|
N
|
Q:GLU49
|
4.0
|
101.9
|
1.0
|
PA
|
Q:GDP401
|
4.2
|
99.5
|
1.0
|
N
|
Q:THR186
|
4.2
|
89.8
|
1.0
|
MG
|
Q:MG402
|
4.3
|
87.4
|
1.0
|
NE
|
Q:ARG183
|
4.3
|
103.4
|
1.0
|
CA
|
Q:GLU49
|
4.4
|
101.9
|
1.0
|
CB
|
Q:PRO185
|
4.4
|
95.8
|
1.0
|
O3A
|
Q:GDP401
|
4.5
|
99.5
|
1.0
|
C
|
Q:PRO185
|
4.5
|
95.8
|
1.0
|
N
|
Q:PRO185
|
4.6
|
95.8
|
1.0
|
O
|
Q:VAL184
|
4.7
|
101.1
|
1.0
|
CG
|
Q:GLU49
|
5.0
|
101.9
|
1.0
|
C
|
Q:VAL184
|
5.0
|
101.1
|
1.0
|
C
|
Q:GLY48
|
5.0
|
92.4
|
1.0
|
|
Fluorine binding site 3 out
of 5 in 8jpc
Go back to
Fluorine Binding Sites List in 8jpc
Fluorine binding site 3 out
of 5 in the Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Q:F403
b:96.7
occ:1.00
|
F2
|
Q:ALF403
|
0.0
|
96.7
|
1.0
|
AL
|
Q:ALF403
|
1.8
|
96.7
|
1.0
|
N
|
Q:GLY208
|
2.4
|
88.3
|
1.0
|
F3
|
Q:ALF403
|
2.5
|
96.7
|
1.0
|
F4
|
Q:ALF403
|
2.5
|
96.7
|
1.0
|
CA
|
Q:GLY207
|
3.1
|
80.2
|
1.0
|
C
|
Q:GLY207
|
3.2
|
80.2
|
1.0
|
O2B
|
Q:GDP401
|
3.3
|
99.5
|
1.0
|
CA
|
Q:GLY208
|
3.4
|
88.3
|
1.0
|
F1
|
Q:ALF403
|
3.6
|
96.7
|
1.0
|
NZ
|
Q:LYS52
|
3.8
|
94.6
|
1.0
|
O3B
|
Q:GDP401
|
3.9
|
99.5
|
1.0
|
O
|
Q:VAL206
|
3.9
|
80.0
|
1.0
|
CE
|
Q:LYS52
|
4.0
|
94.6
|
1.0
|
PB
|
Q:GDP401
|
4.1
|
99.5
|
1.0
|
MG
|
Q:MG402
|
4.2
|
87.4
|
1.0
|
CA
|
Q:GLY48
|
4.2
|
92.4
|
1.0
|
O
|
Q:THR186
|
4.2
|
89.8
|
1.0
|
N
|
Q:GLN209
|
4.3
|
89.5
|
1.0
|
C
|
Q:GLY208
|
4.3
|
88.3
|
1.0
|
N
|
Q:GLY207
|
4.3
|
80.2
|
1.0
|
O
|
Q:GLY207
|
4.3
|
80.2
|
1.0
|
O1B
|
Q:GDP401
|
4.3
|
99.5
|
1.0
|
C
|
Q:VAL206
|
4.6
|
80.0
|
1.0
|
N
|
Q:GLU49
|
4.7
|
101.9
|
1.0
|
CB
|
Q:THR186
|
4.8
|
89.8
|
1.0
|
N
|
Q:THR186
|
4.8
|
89.8
|
1.0
|
C
|
Q:THR186
|
4.9
|
89.8
|
1.0
|
|
Fluorine binding site 4 out
of 5 in 8jpc
Go back to
Fluorine Binding Sites List in 8jpc
Fluorine binding site 4 out
of 5 in the Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Q:F403
b:96.7
occ:1.00
|
F3
|
Q:ALF403
|
0.0
|
96.7
|
1.0
|
AL
|
Q:ALF403
|
1.8
|
96.7
|
1.0
|
MG
|
Q:MG402
|
2.3
|
87.4
|
1.0
|
F2
|
Q:ALF403
|
2.5
|
96.7
|
1.0
|
F1
|
Q:ALF403
|
2.5
|
96.7
|
1.0
|
N
|
Q:THR186
|
2.8
|
89.8
|
1.0
|
O3B
|
Q:GDP401
|
2.8
|
99.5
|
1.0
|
CB
|
Q:THR186
|
3.2
|
89.8
|
1.0
|
O2B
|
Q:GDP401
|
3.3
|
99.5
|
1.0
|
CA
|
Q:THR186
|
3.4
|
89.8
|
1.0
|
OG1
|
Q:THR186
|
3.5
|
89.8
|
1.0
|
F4
|
Q:ALF403
|
3.6
|
96.7
|
1.0
|
PB
|
Q:GDP401
|
3.7
|
99.5
|
1.0
|
O
|
Q:THR186
|
3.7
|
89.8
|
1.0
|
C
|
Q:PRO185
|
3.8
|
95.8
|
1.0
|
O2A
|
Q:GDP401
|
3.9
|
99.5
|
1.0
|
C
|
Q:THR186
|
3.9
|
89.8
|
1.0
|
CA
|
Q:PRO185
|
4.0
|
95.8
|
1.0
|
OG
|
Q:SER53
|
4.2
|
91.8
|
1.0
|
O
|
Q:VAL184
|
4.3
|
101.1
|
1.0
|
CG2
|
Q:THR186
|
4.5
|
89.8
|
1.0
|
O1B
|
Q:GDP401
|
4.6
|
99.5
|
1.0
|
CA
|
Q:GLY207
|
4.7
|
80.2
|
1.0
|
O3A
|
Q:GDP401
|
4.8
|
99.5
|
1.0
|
PA
|
Q:GDP401
|
4.9
|
99.5
|
1.0
|
N
|
Q:GLY208
|
4.9
|
88.3
|
1.0
|
O
|
Q:PRO185
|
4.9
|
95.8
|
1.0
|
CB
|
Q:PRO185
|
4.9
|
95.8
|
1.0
|
|
Fluorine binding site 5 out
of 5 in 8jpc
Go back to
Fluorine Binding Sites List in 8jpc
Fluorine binding site 5 out
of 5 in the Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Cryo-Em Structure of NTSR1-GRK2-Galpha(Q) Complexes 2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Q:F403
b:96.7
occ:1.00
|
F4
|
Q:ALF403
|
0.0
|
96.7
|
1.0
|
AL
|
Q:ALF403
|
1.8
|
96.7
|
1.0
|
F1
|
Q:ALF403
|
2.5
|
96.7
|
1.0
|
F2
|
Q:ALF403
|
2.5
|
96.7
|
1.0
|
N
|
Q:GLU49
|
2.6
|
101.9
|
1.0
|
CA
|
Q:GLY48
|
2.6
|
92.4
|
1.0
|
O2B
|
Q:GDP401
|
2.8
|
99.5
|
1.0
|
C
|
Q:GLY48
|
3.1
|
92.4
|
1.0
|
F3
|
Q:ALF403
|
3.6
|
96.7
|
1.0
|
NE2
|
Q:GLN209
|
3.8
|
89.5
|
1.0
|
NH2
|
Q:ARG183
|
3.8
|
103.4
|
1.0
|
CA
|
Q:GLU49
|
3.8
|
101.9
|
1.0
|
N
|
Q:GLY208
|
4.0
|
88.3
|
1.0
|
N
|
Q:GLY48
|
4.0
|
92.4
|
1.0
|
CA
|
Q:GLY208
|
4.2
|
88.3
|
1.0
|
PB
|
Q:GDP401
|
4.2
|
99.5
|
1.0
|
O
|
Q:GLY48
|
4.3
|
92.4
|
1.0
|
N
|
Q:GLN209
|
4.4
|
89.5
|
1.0
|
C
|
Q:GLY208
|
4.5
|
88.3
|
1.0
|
CG
|
Q:GLU49
|
4.6
|
101.9
|
1.0
|
CG
|
Q:GLN209
|
4.6
|
89.5
|
1.0
|
NZ
|
Q:LYS52
|
4.6
|
94.6
|
1.0
|
O
|
Q:THR47
|
4.6
|
88.8
|
1.0
|
CD
|
Q:GLN209
|
4.6
|
89.5
|
1.0
|
O2A
|
Q:GDP401
|
4.7
|
99.5
|
1.0
|
CB
|
Q:GLU49
|
4.7
|
101.9
|
1.0
|
O3B
|
Q:GDP401
|
4.7
|
99.5
|
1.0
|
C
|
Q:THR47
|
4.8
|
88.8
|
1.0
|
O1B
|
Q:GDP401
|
4.8
|
99.5
|
1.0
|
CZ
|
Q:ARG183
|
4.9
|
103.4
|
1.0
|
C
|
Q:GLU49
|
4.9
|
101.9
|
1.0
|
N
|
Q:SER50
|
5.0
|
97.6
|
1.0
|
|
Reference:
J.Duan,
H.Liu,
F.Zhao,
Q.Yuan,
Y.Ji,
X.Cai,
X.He,
X.Li,
J.Li,
K.Wu,
T.Gao,
S.Zhu,
S.Lin,
M.W.Wang,
X.Cheng,
W.Yin,
Y.Jiang,
D.Yang,
H.E.Xu.
Gpcr Activation and GRK2 Assembly By A Biased Intracellular Agonist. Nature 2023.
ISSN: ESSN 1476-4687
DOI: 10.1038/S41586-023-06395-9
Page generated: Fri Aug 2 20:59:30 2024
|