Fluorine in PDB 6rv4: Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237
Protein crystallography data
The structure of Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237, PDB code: 6rv4
was solved by
K.E.J.Rodstrom,
A.C.W.Pike,
W.Zhang,
A.Quigley,
D.Speedman,
S.M.M.Mukhopadhyay,
L.Shrestha,
R.Chalk,
S.Venkaya,
S.R.Bushell,
A.Tessitore,
N.Burgess-Brown,
C.H.Arrowsmith,
A.M.Edwards,
C.Bountra,
E.P.Carpenter,
Structural Genomics Consortium (Sgc),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
41.16 /
3.10
|
Space group
|
P 2 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
45.100,
201.330,
238.570,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
25 /
25.6
|
Other elements in 6rv4:
The structure of Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237 also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237
(pdb code 6rv4). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the
Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237, PDB code: 6rv4:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
Fluorine binding site 1 out
of 6 in 6rv4
Go back to
Fluorine Binding Sites List in 6rv4
Fluorine binding site 1 out
of 6 in the Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F307
b:39.7
occ:1.00
|
F1
|
A:KKZ307
|
0.0
|
39.7
|
1.0
|
C25
|
A:KKZ307
|
1.3
|
40.5
|
1.0
|
F3
|
A:KKZ307
|
2.1
|
42.2
|
1.0
|
F2
|
A:KKZ307
|
2.2
|
38.5
|
1.0
|
O2
|
A:KKZ307
|
2.3
|
41.1
|
1.0
|
C24
|
A:KKZ307
|
2.7
|
42.2
|
1.0
|
N5
|
A:KKZ307
|
2.9
|
43.0
|
1.0
|
CD1
|
B:LEU239
|
3.3
|
40.0
|
1.0
|
CD2
|
B:LEU239
|
3.6
|
41.4
|
1.0
|
C23
|
A:KKZ307
|
3.7
|
42.8
|
1.0
|
CG2
|
A:ILE118
|
3.9
|
30.7
|
1.0
|
C4
|
A:KKZ307
|
4.0
|
44.4
|
1.0
|
C20
|
A:KKZ307
|
4.0
|
43.7
|
1.0
|
CG
|
B:LEU239
|
4.1
|
39.7
|
1.0
|
CD1
|
A:LEU122
|
4.2
|
33.9
|
1.0
|
C3
|
A:KKZ307
|
4.2
|
44.4
|
1.0
|
C22
|
A:KKZ307
|
4.6
|
43.4
|
1.0
|
O
|
B:THR198
|
4.8
|
14.4
|
1.0
|
C21
|
A:KKZ307
|
4.8
|
43.7
|
1.0
|
N2
|
A:KKZ307
|
4.9
|
44.4
|
1.0
|
C19
|
A:KKZ307
|
4.9
|
43.7
|
1.0
|
|
Fluorine binding site 2 out
of 6 in 6rv4
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Fluorine Binding Sites List in 6rv4
Fluorine binding site 2 out
of 6 in the Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F307
b:38.5
occ:1.00
|
F2
|
A:KKZ307
|
0.0
|
38.5
|
1.0
|
C25
|
A:KKZ307
|
1.3
|
40.5
|
1.0
|
F3
|
A:KKZ307
|
2.2
|
42.2
|
1.0
|
F1
|
A:KKZ307
|
2.2
|
39.7
|
1.0
|
O2
|
A:KKZ307
|
2.2
|
41.1
|
1.0
|
CD1
|
B:LEU239
|
3.4
|
40.0
|
1.0
|
C24
|
A:KKZ307
|
3.4
|
42.2
|
1.0
|
CG2
|
B:ILE235
|
3.9
|
32.3
|
1.0
|
CG2
|
A:ILE118
|
4.1
|
30.7
|
1.0
|
C23
|
A:KKZ307
|
4.2
|
42.8
|
1.0
|
N5
|
A:KKZ307
|
4.3
|
43.0
|
1.0
|
CG2
|
B:THR198
|
4.4
|
14.6
|
1.0
|
CA
|
B:THR198
|
4.4
|
12.1
|
1.0
|
CG
|
B:LEU239
|
4.4
|
39.7
|
1.0
|
CD2
|
B:LEU239
|
4.6
|
41.4
|
1.0
|
CB
|
B:THR198
|
4.6
|
17.0
|
1.0
|
O
|
B:THR198
|
4.8
|
14.4
|
1.0
|
CB
|
A:ILE118
|
4.8
|
30.2
|
1.0
|
O
|
B:LEU197
|
4.9
|
16.7
|
1.0
|
CD1
|
A:ILE118
|
4.9
|
36.2
|
1.0
|
C
|
B:THR198
|
5.0
|
15.1
|
1.0
|
|
Fluorine binding site 3 out
of 6 in 6rv4
Go back to
Fluorine Binding Sites List in 6rv4
Fluorine binding site 3 out
of 6 in the Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F307
b:42.2
occ:1.00
|
F3
|
A:KKZ307
|
0.0
|
42.2
|
1.0
|
C25
|
A:KKZ307
|
1.3
|
40.5
|
1.0
|
F1
|
A:KKZ307
|
2.1
|
39.7
|
1.0
|
F2
|
A:KKZ307
|
2.2
|
38.5
|
1.0
|
O2
|
A:KKZ307
|
2.2
|
41.1
|
1.0
|
O
|
B:THR198
|
2.8
|
14.4
|
1.0
|
C24
|
A:KKZ307
|
3.2
|
42.2
|
1.0
|
CG2
|
A:ILE118
|
3.4
|
30.7
|
1.0
|
C
|
B:THR198
|
3.4
|
15.1
|
1.0
|
N5
|
A:KKZ307
|
3.5
|
43.0
|
1.0
|
CA
|
B:THR198
|
3.5
|
12.1
|
1.0
|
CB
|
B:THR198
|
3.8
|
17.0
|
1.0
|
CD1
|
A:ILE118
|
3.9
|
36.2
|
1.0
|
CG2
|
A:THR93
|
4.1
|
26.1
|
1.0
|
CB
|
A:ILE118
|
4.3
|
30.2
|
1.0
|
OG1
|
B:THR199
|
4.3
|
16.6
|
1.0
|
CG2
|
B:THR198
|
4.3
|
14.6
|
1.0
|
C23
|
A:KKZ307
|
4.5
|
42.8
|
1.0
|
N
|
B:THR199
|
4.6
|
11.4
|
1.0
|
CG1
|
A:ILE118
|
4.6
|
30.4
|
1.0
|
O
|
B:LEU197
|
4.7
|
16.7
|
1.0
|
C3
|
A:KKZ307
|
4.8
|
44.4
|
1.0
|
N
|
B:THR198
|
4.8
|
13.0
|
1.0
|
C20
|
A:KKZ307
|
4.8
|
43.7
|
1.0
|
CD1
|
B:LEU239
|
5.0
|
40.0
|
1.0
|
|
Fluorine binding site 4 out
of 6 in 6rv4
Go back to
Fluorine Binding Sites List in 6rv4
Fluorine binding site 4 out
of 6 in the Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F302
b:80.6
occ:1.00
|
F1
|
D:KKZ302
|
0.0
|
80.6
|
1.0
|
C25
|
D:KKZ302
|
1.3
|
81.0
|
1.0
|
F3
|
D:KKZ302
|
2.1
|
81.8
|
1.0
|
F2
|
D:KKZ302
|
2.2
|
80.4
|
1.0
|
O2
|
D:KKZ302
|
2.3
|
81.0
|
1.0
|
C24
|
D:KKZ302
|
2.7
|
81.4
|
1.0
|
N5
|
D:KKZ302
|
2.9
|
81.5
|
1.0
|
CD1
|
D:LEU239
|
3.3
|
56.2
|
1.0
|
CD2
|
D:LEU239
|
3.6
|
58.8
|
1.0
|
C23
|
D:KKZ302
|
3.7
|
81.4
|
1.0
|
CG2
|
C:ILE118
|
3.9
|
36.6
|
1.0
|
C4
|
D:KKZ302
|
4.0
|
76.1
|
1.0
|
C20
|
D:KKZ302
|
4.0
|
80.8
|
1.0
|
CG
|
D:LEU239
|
4.1
|
55.8
|
1.0
|
CD1
|
C:LEU122
|
4.2
|
31.4
|
1.0
|
C3
|
D:KKZ302
|
4.2
|
75.4
|
1.0
|
C22
|
D:KKZ302
|
4.6
|
80.9
|
1.0
|
O
|
D:THR198
|
4.7
|
34.0
|
1.0
|
C21
|
D:KKZ302
|
4.8
|
80.6
|
1.0
|
N2
|
D:KKZ302
|
4.9
|
78.0
|
1.0
|
C19
|
D:KKZ302
|
4.9
|
80.1
|
1.0
|
|
Fluorine binding site 5 out
of 6 in 6rv4
Go back to
Fluorine Binding Sites List in 6rv4
Fluorine binding site 5 out
of 6 in the Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F302
b:80.4
occ:1.00
|
F2
|
D:KKZ302
|
0.0
|
80.4
|
1.0
|
C25
|
D:KKZ302
|
1.3
|
81.0
|
1.0
|
F3
|
D:KKZ302
|
2.1
|
81.8
|
1.0
|
F1
|
D:KKZ302
|
2.2
|
80.6
|
1.0
|
O2
|
D:KKZ302
|
2.2
|
81.0
|
1.0
|
CD1
|
D:LEU239
|
3.4
|
56.2
|
1.0
|
C24
|
D:KKZ302
|
3.4
|
81.4
|
1.0
|
CG2
|
D:ILE235
|
3.8
|
37.6
|
1.0
|
CG2
|
C:ILE118
|
4.1
|
36.6
|
1.0
|
CG2
|
D:THR198
|
4.1
|
37.2
|
1.0
|
C23
|
D:KKZ302
|
4.2
|
81.4
|
1.0
|
N5
|
D:KKZ302
|
4.3
|
81.5
|
1.0
|
CA
|
D:THR198
|
4.4
|
30.3
|
1.0
|
CG
|
D:LEU239
|
4.4
|
55.8
|
1.0
|
CB
|
D:THR198
|
4.5
|
37.9
|
1.0
|
CD2
|
D:LEU239
|
4.6
|
58.8
|
1.0
|
O
|
D:THR198
|
4.8
|
34.0
|
1.0
|
CB
|
C:ILE118
|
4.8
|
35.8
|
1.0
|
O
|
D:LEU197
|
4.9
|
34.7
|
1.0
|
CD1
|
C:ILE118
|
4.9
|
41.5
|
1.0
|
C
|
D:THR198
|
5.0
|
33.8
|
1.0
|
|
Fluorine binding site 6 out
of 6 in 6rv4
Go back to
Fluorine Binding Sites List in 6rv4
Fluorine binding site 6 out
of 6 in the Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237
 Mono view
 Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F302
b:81.8
occ:1.00
|
F3
|
D:KKZ302
|
0.0
|
81.8
|
1.0
|
C25
|
D:KKZ302
|
1.3
|
81.0
|
1.0
|
F1
|
D:KKZ302
|
2.1
|
80.6
|
1.0
|
F2
|
D:KKZ302
|
2.1
|
80.4
|
1.0
|
O2
|
D:KKZ302
|
2.2
|
81.0
|
1.0
|
O
|
D:THR198
|
2.8
|
34.0
|
1.0
|
C24
|
D:KKZ302
|
3.2
|
81.4
|
1.0
|
CG2
|
C:ILE118
|
3.4
|
36.6
|
1.0
|
C
|
D:THR198
|
3.4
|
33.8
|
1.0
|
CA
|
D:THR198
|
3.4
|
30.3
|
1.0
|
N5
|
D:KKZ302
|
3.5
|
81.5
|
1.0
|
CB
|
D:THR198
|
3.7
|
37.9
|
1.0
|
CD1
|
C:ILE118
|
3.9
|
41.5
|
1.0
|
CG2
|
C:THR93
|
4.1
|
20.6
|
1.0
|
CG2
|
D:THR198
|
4.2
|
37.2
|
1.0
|
CB
|
C:ILE118
|
4.3
|
35.8
|
1.0
|
OG1
|
D:THR199
|
4.4
|
34.0
|
1.0
|
C23
|
D:KKZ302
|
4.5
|
81.4
|
1.0
|
CG1
|
C:ILE118
|
4.6
|
36.0
|
1.0
|
N
|
D:THR199
|
4.6
|
29.1
|
1.0
|
O
|
D:LEU197
|
4.7
|
34.7
|
1.0
|
N
|
D:THR198
|
4.7
|
30.8
|
1.0
|
C20
|
D:KKZ302
|
4.8
|
80.8
|
1.0
|
C3
|
D:KKZ302
|
4.8
|
75.4
|
1.0
|
CD1
|
D:LEU239
|
5.0
|
56.2
|
1.0
|
OG1
|
D:THR198
|
5.0
|
38.3
|
1.0
|
|
Reference:
K.E.J.Rodstrom,
A.K.Kiper,
W.Zhang,
S.Rinne,
A.C.W.Pike,
M.Goldstein,
L.Conrad,
M.Delbeck,
M.Hahn,
H.Meier,
M.Platzk,
A.Quigley,
D.Speedman,
L.Shrestha,
S.M.M.Mukhopadhyay,
N.A.Burgess-Brown,
S.J.Tucker,
T.Mueller,
N.Decher,
E.P.Carpenter.
A Unique Lower X-Gate in Task Channels Sequesters Inhibitors Within the Vestibule To Be Published.
Page generated: Fri Aug 2 01:25:28 2024
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