Fluorine in PDB 7b05: TRPC4 in Complex with Inhibitor Gfb-8749
Other elements in 7b05:
The structure of TRPC4 in Complex with Inhibitor Gfb-8749 also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the TRPC4 in Complex with Inhibitor Gfb-8749
(pdb code 7b05). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the
TRPC4 in Complex with Inhibitor Gfb-8749, PDB code: 7b05:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Fluorine binding site 1 out
of 8 in 7b05
Go back to
Fluorine Binding Sites List in 7b05
Fluorine binding site 1 out
of 8 in the TRPC4 in Complex with Inhibitor Gfb-8749
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of TRPC4 in Complex with Inhibitor Gfb-8749 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1001
b:79.3
occ:1.00
|
FAA
|
A:SJQ1001
|
0.0
|
79.3
|
1.0
|
CAB
|
A:SJQ1001
|
1.4
|
79.3
|
1.0
|
FAE
|
A:SJQ1001
|
2.2
|
79.3
|
1.0
|
CAC
|
A:SJQ1001
|
2.3
|
79.3
|
1.0
|
CAF
|
A:SJQ1001
|
2.3
|
79.3
|
1.0
|
CAD
|
A:SJQ1001
|
3.0
|
79.3
|
1.0
|
CAG
|
A:SJQ1001
|
3.1
|
79.3
|
1.0
|
CAH
|
A:SJQ1001
|
3.7
|
79.3
|
1.0
|
OH
|
A:TYR646
|
3.9
|
54.6
|
1.0
|
CE1
|
A:PHE366
|
4.0
|
63.3
|
1.0
|
CAI
|
A:SJQ1001
|
4.5
|
79.3
|
1.0
|
CD1
|
A:LEU495
|
4.5
|
56.6
|
1.0
|
CD1
|
A:PHE366
|
4.6
|
63.3
|
1.0
|
OG1
|
A:THR370
|
4.6
|
64.8
|
1.0
|
CG
|
A:LEU495
|
4.8
|
56.6
|
1.0
|
CZ
|
A:PHE366
|
4.8
|
63.3
|
1.0
|
CB
|
A:LEU495
|
4.9
|
56.6
|
1.0
|
CA
|
A:LEU495
|
5.0
|
56.6
|
1.0
|
|
Fluorine binding site 2 out
of 8 in 7b05
Go back to
Fluorine Binding Sites List in 7b05
Fluorine binding site 2 out
of 8 in the TRPC4 in Complex with Inhibitor Gfb-8749
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of TRPC4 in Complex with Inhibitor Gfb-8749 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1001
b:79.3
occ:1.00
|
FAE
|
A:SJQ1001
|
0.0
|
79.3
|
1.0
|
CAB
|
A:SJQ1001
|
1.4
|
79.3
|
1.0
|
FAA
|
A:SJQ1001
|
2.2
|
79.3
|
1.0
|
CAC
|
A:SJQ1001
|
2.3
|
79.3
|
1.0
|
CAF
|
A:SJQ1001
|
2.3
|
79.3
|
1.0
|
CD1
|
A:LEU495
|
3.2
|
56.6
|
1.0
|
CB
|
A:LEU495
|
3.6
|
56.6
|
1.0
|
CAD
|
A:SJQ1001
|
3.7
|
79.3
|
1.0
|
CAG
|
A:SJQ1001
|
3.7
|
79.3
|
1.0
|
CG
|
A:LEU495
|
3.8
|
56.6
|
1.0
|
CAH
|
A:SJQ1001
|
4.1
|
79.3
|
1.0
|
CAI
|
A:SJQ1001
|
4.1
|
79.3
|
1.0
|
CA
|
A:LEU495
|
4.2
|
56.6
|
1.0
|
CD2
|
A:TYR373
|
4.4
|
66.7
|
1.0
|
N
|
A:LEU495
|
4.7
|
56.6
|
1.0
|
OG1
|
A:THR370
|
4.9
|
64.8
|
1.0
|
CE2
|
A:TYR373
|
4.9
|
66.7
|
1.0
|
|
Fluorine binding site 3 out
of 8 in 7b05
Go back to
Fluorine Binding Sites List in 7b05
Fluorine binding site 3 out
of 8 in the TRPC4 in Complex with Inhibitor Gfb-8749
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of TRPC4 in Complex with Inhibitor Gfb-8749 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1001
b:79.2
occ:1.00
|
FAA
|
B:SJQ1001
|
0.0
|
79.2
|
1.0
|
CAB
|
B:SJQ1001
|
1.4
|
79.2
|
1.0
|
FAE
|
B:SJQ1001
|
2.2
|
79.2
|
1.0
|
CAC
|
B:SJQ1001
|
2.3
|
79.2
|
1.0
|
CAF
|
B:SJQ1001
|
2.3
|
79.2
|
1.0
|
CAD
|
B:SJQ1001
|
3.0
|
79.2
|
1.0
|
CAG
|
B:SJQ1001
|
3.1
|
79.2
|
1.0
|
CAH
|
B:SJQ1001
|
3.7
|
79.2
|
1.0
|
OH
|
B:TYR646
|
3.9
|
54.9
|
1.0
|
CE1
|
B:PHE366
|
4.0
|
63.3
|
1.0
|
CAI
|
B:SJQ1001
|
4.5
|
79.2
|
1.0
|
CD1
|
B:LEU495
|
4.5
|
56.9
|
1.0
|
CD1
|
B:PHE366
|
4.6
|
63.3
|
1.0
|
OG1
|
B:THR370
|
4.6
|
64.5
|
1.0
|
CG
|
B:LEU495
|
4.8
|
56.9
|
1.0
|
CZ
|
B:PHE366
|
4.8
|
63.3
|
1.0
|
CB
|
B:LEU495
|
4.9
|
56.9
|
1.0
|
CA
|
B:LEU495
|
5.0
|
56.9
|
1.0
|
|
Fluorine binding site 4 out
of 8 in 7b05
Go back to
Fluorine Binding Sites List in 7b05
Fluorine binding site 4 out
of 8 in the TRPC4 in Complex with Inhibitor Gfb-8749
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of TRPC4 in Complex with Inhibitor Gfb-8749 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1001
b:79.2
occ:1.00
|
FAE
|
B:SJQ1001
|
0.0
|
79.2
|
1.0
|
CAB
|
B:SJQ1001
|
1.4
|
79.2
|
1.0
|
FAA
|
B:SJQ1001
|
2.2
|
79.2
|
1.0
|
CAC
|
B:SJQ1001
|
2.3
|
79.2
|
1.0
|
CAF
|
B:SJQ1001
|
2.3
|
79.2
|
1.0
|
CD1
|
B:LEU495
|
3.2
|
56.9
|
1.0
|
CB
|
B:LEU495
|
3.6
|
56.9
|
1.0
|
CAD
|
B:SJQ1001
|
3.7
|
79.2
|
1.0
|
CAG
|
B:SJQ1001
|
3.7
|
79.2
|
1.0
|
CG
|
B:LEU495
|
3.8
|
56.9
|
1.0
|
CAH
|
B:SJQ1001
|
4.1
|
79.2
|
1.0
|
CAI
|
B:SJQ1001
|
4.1
|
79.2
|
1.0
|
CA
|
B:LEU495
|
4.2
|
56.9
|
1.0
|
CD2
|
B:TYR373
|
4.4
|
66.9
|
1.0
|
N
|
B:LEU495
|
4.7
|
56.9
|
1.0
|
OG1
|
B:THR370
|
4.9
|
64.5
|
1.0
|
CE2
|
B:TYR373
|
4.9
|
66.9
|
1.0
|
|
Fluorine binding site 5 out
of 8 in 7b05
Go back to
Fluorine Binding Sites List in 7b05
Fluorine binding site 5 out
of 8 in the TRPC4 in Complex with Inhibitor Gfb-8749
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of TRPC4 in Complex with Inhibitor Gfb-8749 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F1001
b:78.7
occ:1.00
|
FAA
|
C:SJQ1001
|
0.0
|
78.7
|
1.0
|
CAB
|
C:SJQ1001
|
1.4
|
78.7
|
1.0
|
FAE
|
C:SJQ1001
|
2.2
|
78.7
|
1.0
|
CAC
|
C:SJQ1001
|
2.3
|
78.7
|
1.0
|
CAF
|
C:SJQ1001
|
2.3
|
78.7
|
1.0
|
CAD
|
C:SJQ1001
|
3.0
|
78.7
|
1.0
|
CAG
|
C:SJQ1001
|
3.1
|
78.7
|
1.0
|
CAH
|
C:SJQ1001
|
3.7
|
78.7
|
1.0
|
OH
|
C:TYR646
|
3.9
|
54.4
|
1.0
|
CE1
|
C:PHE366
|
4.0
|
63.0
|
1.0
|
CAI
|
C:SJQ1001
|
4.5
|
78.7
|
1.0
|
CD1
|
C:LEU495
|
4.5
|
56.2
|
1.0
|
CD1
|
C:PHE366
|
4.6
|
63.0
|
1.0
|
OG1
|
C:THR370
|
4.6
|
64.2
|
1.0
|
CG
|
C:LEU495
|
4.8
|
56.2
|
1.0
|
CZ
|
C:PHE366
|
4.8
|
63.0
|
1.0
|
CB
|
C:LEU495
|
4.9
|
56.2
|
1.0
|
CA
|
C:LEU495
|
5.0
|
56.2
|
1.0
|
|
Fluorine binding site 6 out
of 8 in 7b05
Go back to
Fluorine Binding Sites List in 7b05
Fluorine binding site 6 out
of 8 in the TRPC4 in Complex with Inhibitor Gfb-8749
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of TRPC4 in Complex with Inhibitor Gfb-8749 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F1001
b:78.7
occ:1.00
|
FAE
|
C:SJQ1001
|
0.0
|
78.7
|
1.0
|
CAB
|
C:SJQ1001
|
1.4
|
78.7
|
1.0
|
FAA
|
C:SJQ1001
|
2.2
|
78.7
|
1.0
|
CAC
|
C:SJQ1001
|
2.3
|
78.7
|
1.0
|
CAF
|
C:SJQ1001
|
2.3
|
78.7
|
1.0
|
CD1
|
C:LEU495
|
3.2
|
56.2
|
1.0
|
CB
|
C:LEU495
|
3.6
|
56.2
|
1.0
|
CAD
|
C:SJQ1001
|
3.7
|
78.7
|
1.0
|
CAG
|
C:SJQ1001
|
3.7
|
78.7
|
1.0
|
CG
|
C:LEU495
|
3.8
|
56.2
|
1.0
|
CAH
|
C:SJQ1001
|
4.1
|
78.7
|
1.0
|
CAI
|
C:SJQ1001
|
4.1
|
78.7
|
1.0
|
CA
|
C:LEU495
|
4.2
|
56.2
|
1.0
|
CD2
|
C:TYR373
|
4.4
|
66.4
|
1.0
|
N
|
C:LEU495
|
4.7
|
56.2
|
1.0
|
OG1
|
C:THR370
|
4.9
|
64.2
|
1.0
|
CE2
|
C:TYR373
|
4.9
|
66.4
|
1.0
|
|
Fluorine binding site 7 out
of 8 in 7b05
Go back to
Fluorine Binding Sites List in 7b05
Fluorine binding site 7 out
of 8 in the TRPC4 in Complex with Inhibitor Gfb-8749
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of TRPC4 in Complex with Inhibitor Gfb-8749 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F1001
b:78.8
occ:1.00
|
FAA
|
D:SJQ1001
|
0.0
|
78.8
|
1.0
|
CAB
|
D:SJQ1001
|
1.4
|
78.8
|
1.0
|
FAE
|
D:SJQ1001
|
2.2
|
78.8
|
1.0
|
CAC
|
D:SJQ1001
|
2.3
|
78.8
|
1.0
|
CAF
|
D:SJQ1001
|
2.3
|
78.8
|
1.0
|
CAD
|
D:SJQ1001
|
3.0
|
78.8
|
1.0
|
CAG
|
D:SJQ1001
|
3.1
|
78.8
|
1.0
|
CAH
|
D:SJQ1001
|
3.7
|
78.8
|
1.0
|
OH
|
D:TYR646
|
3.9
|
54.0
|
1.0
|
CE1
|
D:PHE366
|
4.0
|
62.4
|
1.0
|
CAI
|
D:SJQ1001
|
4.5
|
78.8
|
1.0
|
CD1
|
D:LEU495
|
4.5
|
56.3
|
1.0
|
CD1
|
D:PHE366
|
4.6
|
62.4
|
1.0
|
OG1
|
D:THR370
|
4.6
|
63.8
|
1.0
|
CG
|
D:LEU495
|
4.8
|
56.3
|
1.0
|
CZ
|
D:PHE366
|
4.8
|
62.4
|
1.0
|
CB
|
D:LEU495
|
4.9
|
56.3
|
1.0
|
CA
|
D:LEU495
|
5.0
|
56.3
|
1.0
|
|
Fluorine binding site 8 out
of 8 in 7b05
Go back to
Fluorine Binding Sites List in 7b05
Fluorine binding site 8 out
of 8 in the TRPC4 in Complex with Inhibitor Gfb-8749
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of TRPC4 in Complex with Inhibitor Gfb-8749 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F1001
b:78.8
occ:1.00
|
FAE
|
D:SJQ1001
|
0.0
|
78.8
|
1.0
|
CAB
|
D:SJQ1001
|
1.4
|
78.8
|
1.0
|
FAA
|
D:SJQ1001
|
2.2
|
78.8
|
1.0
|
CAC
|
D:SJQ1001
|
2.3
|
78.8
|
1.0
|
CAF
|
D:SJQ1001
|
2.3
|
78.8
|
1.0
|
CD1
|
D:LEU495
|
3.2
|
56.3
|
1.0
|
CB
|
D:LEU495
|
3.6
|
56.3
|
1.0
|
CAD
|
D:SJQ1001
|
3.7
|
78.8
|
1.0
|
CAG
|
D:SJQ1001
|
3.7
|
78.8
|
1.0
|
CG
|
D:LEU495
|
3.8
|
56.3
|
1.0
|
CAH
|
D:SJQ1001
|
4.1
|
78.8
|
1.0
|
CAI
|
D:SJQ1001
|
4.1
|
78.8
|
1.0
|
CA
|
D:LEU495
|
4.2
|
56.3
|
1.0
|
CD2
|
D:TYR373
|
4.4
|
66.0
|
1.0
|
N
|
D:LEU495
|
4.7
|
56.3
|
1.0
|
OG1
|
D:THR370
|
4.9
|
63.8
|
1.0
|
CE2
|
D:TYR373
|
4.9
|
66.0
|
1.0
|
|
Reference:
D.Vinayagam,
D.Quentin,
J.Yu-Strzelczyk,
O.Sitsel,
F.Merino,
M.Stabrin,
O.Hofnagel,
M.Yu,
M.W.Ledeboer,
G.Nagel,
G.Malojcic,
S.Raunser.
Structural Basis of TRPC4 Regulation By Calmodulin and Pharmacological Agents. Elife V. 9 2020.
ISSN: ESSN 2050-084X
PubMed: 33236980
DOI: 10.7554/ELIFE.60603
Page generated: Fri Aug 2 05:52:18 2024
|