Fluorine in PDB 5afk: ALPHA7-Achbp in Complex with Lobeline and Fragment 2
Protein crystallography data
The structure of ALPHA7-Achbp in Complex with Lobeline and Fragment 2, PDB code: 5afk
was solved by
R.Spurny,
S.Debaveye,
A.Farinha,
K.Veys,
T.Gossas,
J.Atack,
D.Bertrand,
J.Kemp,
A.Vos,
U.H.Danielson,
G.Tresadern,
C.Ulens,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
36.841 /
2.46
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
85.695,
112.293,
144.305,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
16.68 /
23
|
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Fluorine atom in the ALPHA7-Achbp in Complex with Lobeline and Fragment 2
(pdb code 5afk). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the
ALPHA7-Achbp in Complex with Lobeline and Fragment 2, PDB code: 5afk:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 12 in 5afk
Go back to
Fluorine Binding Sites List in 5afk
Fluorine binding site 1 out
of 12 in the ALPHA7-Achbp in Complex with Lobeline and Fragment 2
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of ALPHA7-Achbp in Complex with Lobeline and Fragment 2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1207
b:77.5
occ:1.00
|
F08
|
A:5VU1207
|
0.0
|
77.5
|
1.0
|
|
C07
|
A:5VU1207
|
1.3
|
70.2
|
1.0
|
|
C13
|
E:5VU1207
|
2.3
|
20.0
|
1.0
|
|
C09
|
A:5VU1207
|
2.3
|
72.6
|
1.0
|
|
C06
|
A:5VU1207
|
2.3
|
69.3
|
1.0
|
|
N12
|
E:5VU1207
|
3.1
|
20.0
|
1.0
|
|
C14
|
E:5VU1207
|
3.2
|
20.0
|
1.0
|
|
CG2
|
E:VAL18
|
3.4
|
35.1
|
1.0
|
|
O01
|
E:5VU1207
|
3.5
|
20.0
|
1.0
|
|
C10
|
A:5VU1207
|
3.6
|
84.0
|
1.0
|
|
C05
|
A:5VU1207
|
3.6
|
72.7
|
1.0
|
|
C02
|
E:5VU1207
|
3.7
|
20.0
|
1.0
|
|
C15
|
E:5VU1207
|
3.7
|
20.0
|
1.0
|
|
CA
|
E:VAL18
|
3.8
|
39.8
|
1.0
|
|
CG1
|
E:VAL18
|
3.9
|
41.0
|
1.0
|
|
O
|
E:ASP17
|
3.9
|
47.3
|
1.0
|
|
CB
|
E:VAL18
|
3.9
|
39.2
|
1.0
|
|
CG1
|
A:VAL76
|
3.9
|
44.0
|
1.0
|
|
C16
|
E:5VU1207
|
4.0
|
20.0
|
1.0
|
|
CB
|
A:GLN3
|
4.0
|
78.8
|
1.0
|
|
CG
|
A:GLN3
|
4.1
|
91.9
|
1.0
|
|
C04
|
A:5VU1207
|
4.1
|
74.3
|
1.0
|
|
CB
|
A:VAL76
|
4.2
|
40.0
|
1.0
|
|
O
|
A:GLN3
|
4.5
|
59.0
|
1.0
|
|
CD
|
A:GLN3
|
4.5
|
0.4
|
1.0
|
|
NE2
|
A:GLN3
|
4.5
|
0.1
|
1.0
|
|
C
|
E:ASP17
|
4.6
|
47.7
|
1.0
|
|
N
|
E:VAL18
|
4.6
|
44.6
|
1.0
|
|
O
|
A:SER77
|
4.6
|
38.2
|
1.0
|
|
N
|
E:ILE19
|
4.7
|
39.5
|
1.0
|
|
F11
|
A:5VU1207
|
4.7
|
98.0
|
1.0
|
|
C
|
E:VAL18
|
4.8
|
45.6
|
1.0
|
|
C
|
A:GLN3
|
4.9
|
61.8
|
1.0
|
|
CA
|
A:GLN3
|
4.9
|
69.6
|
1.0
|
|
N03
|
E:5VU1207
|
4.9
|
20.0
|
1.0
|
|
N
|
A:SER77
|
5.0
|
39.6
|
1.0
|
|
CA
|
A:VAL76
|
5.0
|
34.7
|
1.0
|
|
Fluorine binding site 2 out
of 12 in 5afk
Go back to
Fluorine Binding Sites List in 5afk
Fluorine binding site 2 out
of 12 in the ALPHA7-Achbp in Complex with Lobeline and Fragment 2
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of ALPHA7-Achbp in Complex with Lobeline and Fragment 2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1207
b:98.0
occ:1.00
|
F11
|
A:5VU1207
|
0.0
|
98.0
|
1.0
|
|
C10
|
A:5VU1207
|
1.3
|
84.0
|
1.0
|
|
C04
|
A:5VU1207
|
2.3
|
74.3
|
1.0
|
|
C09
|
A:5VU1207
|
2.4
|
72.6
|
1.0
|
|
N03
|
A:5VU1207
|
2.7
|
67.4
|
1.0
|
|
CA
|
A:TYR7
|
3.2
|
53.7
|
1.0
|
|
N
|
A:TYR7
|
3.3
|
52.7
|
1.0
|
|
CD1
|
A:LEU10
|
3.3
|
61.0
|
1.0
|
|
C
|
A:LEU6
|
3.6
|
54.8
|
1.0
|
|
C05
|
A:5VU1207
|
3.6
|
72.7
|
1.0
|
|
C07
|
A:5VU1207
|
3.6
|
70.2
|
1.0
|
|
CG
|
A:LEU6
|
3.6
|
56.2
|
1.0
|
|
CB
|
A:TYR7
|
3.6
|
51.9
|
1.0
|
|
O
|
A:LEU6
|
3.8
|
60.7
|
1.0
|
|
CB
|
A:LEU6
|
4.1
|
54.6
|
1.0
|
|
CD2
|
A:LEU6
|
4.1
|
54.1
|
1.0
|
|
C02
|
A:5VU1207
|
4.1
|
58.5
|
1.0
|
|
C06
|
A:5VU1207
|
4.1
|
69.3
|
1.0
|
|
O
|
A:GLN3
|
4.3
|
59.0
|
1.0
|
|
CG
|
A:LEU10
|
4.4
|
67.1
|
1.0
|
|
CG2
|
A:VAL76
|
4.4
|
33.2
|
1.0
|
|
CD2
|
A:TYR7
|
4.4
|
67.8
|
1.0
|
|
CG1
|
A:VAL76
|
4.5
|
44.0
|
1.0
|
|
C
|
A:TYR7
|
4.5
|
60.9
|
1.0
|
|
CG
|
A:TYR7
|
4.5
|
61.0
|
1.0
|
|
CA
|
A:LEU6
|
4.5
|
56.4
|
1.0
|
|
CB
|
A:LEU10
|
4.6
|
61.9
|
1.0
|
|
CB
|
A:VAL76
|
4.7
|
40.0
|
1.0
|
|
F08
|
A:5VU1207
|
4.7
|
77.5
|
1.0
|
|
CD1
|
A:LEU6
|
4.8
|
58.7
|
1.0
|
|
O
|
A:TYR7
|
4.8
|
64.9
|
1.0
|
|
O01
|
A:5VU1207
|
4.9
|
57.4
|
1.0
|
|
N12
|
A:5VU1207
|
5.0
|
58.7
|
1.0
|
|
C16
|
A:5VU1207
|
5.0
|
62.0
|
1.0
|
|
Fluorine binding site 3 out
of 12 in 5afk
Go back to
Fluorine Binding Sites List in 5afk
Fluorine binding site 3 out
of 12 in the ALPHA7-Achbp in Complex with Lobeline and Fragment 2
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of ALPHA7-Achbp in Complex with Lobeline and Fragment 2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1207
b:95.6
occ:1.00
|
F08
|
B:5VU1207
|
0.0
|
95.6
|
1.0
|
|
C07
|
B:5VU1207
|
1.3
|
91.3
|
1.0
|
|
C09
|
B:5VU1207
|
2.3
|
96.5
|
1.0
|
|
C06
|
B:5VU1207
|
2.4
|
83.4
|
1.0
|
|
CB
|
B:GLN3
|
3.4
|
79.2
|
1.0
|
|
CG2
|
A:VAL18
|
3.4
|
52.3
|
1.0
|
|
C10
|
B:5VU1207
|
3.6
|
98.2
|
1.0
|
|
C05
|
B:5VU1207
|
3.6
|
79.0
|
1.0
|
|
CG
|
B:GLN3
|
3.7
|
85.1
|
1.0
|
|
CA
|
A:VAL18
|
3.8
|
48.0
|
1.0
|
|
CG1
|
A:VAL18
|
3.8
|
54.6
|
1.0
|
|
CG1
|
B:VAL76
|
3.9
|
53.4
|
1.0
|
|
CB
|
A:VAL18
|
3.9
|
50.7
|
1.0
|
|
O
|
A:ASP17
|
4.0
|
58.8
|
1.0
|
|
C04
|
B:5VU1207
|
4.1
|
82.8
|
1.0
|
|
CB
|
B:VAL76
|
4.3
|
48.4
|
1.0
|
|
O
|
A:HOH2009
|
4.3
|
60.1
|
1.0
|
|
O
|
B:GLN3
|
4.4
|
76.2
|
1.0
|
|
CA
|
B:GLN3
|
4.4
|
74.7
|
1.0
|
|
C
|
B:GLN3
|
4.6
|
73.8
|
1.0
|
|
N
|
A:VAL18
|
4.6
|
44.9
|
1.0
|
|
C
|
A:ASP17
|
4.6
|
51.8
|
1.0
|
|
N
|
A:ILE19
|
4.7
|
56.0
|
1.0
|
|
F11
|
B:5VU1207
|
4.7
|
0.1
|
1.0
|
|
C
|
A:VAL18
|
4.8
|
55.0
|
1.0
|
|
O
|
B:SER77
|
4.9
|
45.8
|
1.0
|
|
Fluorine binding site 4 out
of 12 in 5afk
Go back to
Fluorine Binding Sites List in 5afk
Fluorine binding site 4 out
of 12 in the ALPHA7-Achbp in Complex with Lobeline and Fragment 2
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of ALPHA7-Achbp in Complex with Lobeline and Fragment 2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1207
b:0.1
occ:1.00
|
F11
|
B:5VU1207
|
0.0
|
0.1
|
1.0
|
|
C10
|
B:5VU1207
|
1.3
|
98.2
|
1.0
|
|
C09
|
B:5VU1207
|
2.4
|
96.5
|
1.0
|
|
C04
|
B:5VU1207
|
2.4
|
82.8
|
1.0
|
|
N03
|
B:5VU1207
|
2.7
|
71.1
|
1.0
|
|
CA
|
B:TYR7
|
3.0
|
65.7
|
1.0
|
|
N
|
B:TYR7
|
3.0
|
66.7
|
1.0
|
|
C
|
B:LEU6
|
3.4
|
70.0
|
1.0
|
|
CB
|
B:TYR7
|
3.6
|
67.4
|
1.0
|
|
C07
|
B:5VU1207
|
3.6
|
91.3
|
1.0
|
|
C05
|
B:5VU1207
|
3.6
|
79.0
|
1.0
|
|
CG
|
B:LEU6
|
3.7
|
61.5
|
1.0
|
|
O
|
B:LEU6
|
3.7
|
72.6
|
1.0
|
|
CD1
|
B:LEU10
|
3.7
|
64.5
|
1.0
|
|
CB
|
B:LEU6
|
3.9
|
65.0
|
1.0
|
|
O
|
B:GLN3
|
4.1
|
76.2
|
1.0
|
|
C06
|
B:5VU1207
|
4.1
|
83.4
|
1.0
|
|
C02
|
B:5VU1207
|
4.1
|
69.4
|
1.0
|
|
CD2
|
B:LEU6
|
4.2
|
54.1
|
1.0
|
|
CA
|
B:LEU6
|
4.3
|
69.4
|
1.0
|
|
C
|
B:TYR7
|
4.3
|
75.9
|
1.0
|
|
CG1
|
B:VAL76
|
4.5
|
53.4
|
1.0
|
|
CG
|
B:TYR7
|
4.5
|
73.6
|
1.0
|
|
CD2
|
B:TYR7
|
4.5
|
77.4
|
1.0
|
|
CG
|
B:LEU10
|
4.5
|
74.8
|
1.0
|
|
CG2
|
B:VAL76
|
4.5
|
46.5
|
1.0
|
|
CB
|
B:LEU10
|
4.5
|
76.8
|
1.0
|
|
F08
|
B:5VU1207
|
4.7
|
95.6
|
1.0
|
|
CB
|
B:VAL76
|
4.7
|
48.4
|
1.0
|
|
O
|
B:TYR7
|
4.8
|
79.4
|
1.0
|
|
CD1
|
B:LEU6
|
4.8
|
57.1
|
1.0
|
|
C16
|
B:5VU1207
|
4.8
|
61.8
|
1.0
|
|
O01
|
B:5VU1207
|
4.9
|
77.2
|
1.0
|
|
N12
|
B:5VU1207
|
4.9
|
64.0
|
1.0
|
|
Fluorine binding site 5 out
of 12 in 5afk
Go back to
Fluorine Binding Sites List in 5afk
Fluorine binding site 5 out
of 12 in the ALPHA7-Achbp in Complex with Lobeline and Fragment 2
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of ALPHA7-Achbp in Complex with Lobeline and Fragment 2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F1208
b:97.7
occ:1.00
|
F08
|
C:5VU1208
|
0.0
|
97.7
|
1.0
|
|
C07
|
C:5VU1208
|
1.3
|
0.0
|
1.0
|
|
C09
|
C:5VU1208
|
2.3
|
0.3
|
1.0
|
|
C06
|
C:5VU1208
|
2.4
|
0.7
|
1.0
|
|
CG2
|
B:VAL18
|
3.3
|
58.5
|
1.0
|
|
CA
|
B:VAL18
|
3.5
|
58.8
|
1.0
|
|
C10
|
C:5VU1208
|
3.6
|
0.1
|
1.0
|
|
CB
|
B:VAL18
|
3.6
|
65.1
|
1.0
|
|
C05
|
C:5VU1208
|
3.6
|
0.6
|
1.0
|
|
CG1
|
B:VAL18
|
3.7
|
46.5
|
1.0
|
|
O
|
C:HOH2019
|
3.8
|
54.3
|
1.0
|
|
O
|
B:ASP17
|
3.8
|
55.8
|
1.0
|
|
CB
|
C:GLN3
|
3.9
|
70.6
|
1.0
|
|
CG1
|
C:VAL76
|
4.1
|
63.3
|
1.0
|
|
CG
|
C:GLN3
|
4.1
|
86.8
|
1.0
|
|
C04
|
C:5VU1208
|
4.1
|
0.4
|
1.0
|
|
CB
|
C:VAL76
|
4.3
|
59.0
|
1.0
|
|
N
|
B:VAL18
|
4.3
|
49.4
|
1.0
|
|
N
|
B:ILE19
|
4.4
|
49.5
|
1.0
|
|
C
|
B:ASP17
|
4.4
|
56.2
|
1.0
|
|
C
|
B:VAL18
|
4.4
|
49.8
|
1.0
|
|
F11
|
C:5VU1208
|
4.7
|
0.0
|
1.0
|
|
O
|
C:GLN3
|
4.8
|
50.8
|
1.0
|
|
O
|
C:SER77
|
4.8
|
43.2
|
1.0
|
|
CA
|
C:GLN3
|
4.8
|
64.5
|
1.0
|
|
C
|
C:GLN3
|
4.9
|
63.6
|
1.0
|
|
Fluorine binding site 6 out
of 12 in 5afk
Go back to
Fluorine Binding Sites List in 5afk
Fluorine binding site 6 out
of 12 in the ALPHA7-Achbp in Complex with Lobeline and Fragment 2
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of ALPHA7-Achbp in Complex with Lobeline and Fragment 2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F1208
b:0.0
occ:1.00
|
F11
|
C:5VU1208
|
0.0
|
0.0
|
1.0
|
|
C10
|
C:5VU1208
|
1.3
|
0.1
|
1.0
|
|
C09
|
C:5VU1208
|
2.3
|
0.3
|
1.0
|
|
C04
|
C:5VU1208
|
2.4
|
0.4
|
1.0
|
|
N03
|
C:5VU1208
|
2.8
|
0.7
|
1.0
|
|
CA
|
C:TYR7
|
3.1
|
59.8
|
1.0
|
|
N
|
C:TYR7
|
3.1
|
54.0
|
1.0
|
|
C
|
C:LEU6
|
3.6
|
61.0
|
1.0
|
|
C07
|
C:5VU1208
|
3.6
|
0.0
|
1.0
|
|
C05
|
C:5VU1208
|
3.6
|
0.6
|
1.0
|
|
CB
|
C:TYR7
|
3.7
|
64.2
|
1.0
|
|
CD1
|
C:LEU10
|
3.8
|
47.0
|
1.0
|
|
O
|
C:HOH2001
|
3.9
|
0.4
|
1.0
|
|
O
|
C:LEU6
|
3.9
|
65.6
|
1.0
|
|
CG
|
C:LEU6
|
3.9
|
53.9
|
1.0
|
|
O
|
C:GLN3
|
3.9
|
50.8
|
1.0
|
|
CB
|
C:LEU6
|
4.1
|
52.8
|
1.0
|
|
C06
|
C:5VU1208
|
4.1
|
0.7
|
1.0
|
|
C02
|
C:5VU1208
|
4.1
|
90.8
|
1.0
|
|
CD2
|
C:LEU6
|
4.3
|
56.6
|
1.0
|
|
CG2
|
C:VAL76
|
4.3
|
57.9
|
1.0
|
|
CG
|
C:LEU10
|
4.3
|
62.1
|
1.0
|
|
C
|
C:TYR7
|
4.3
|
64.1
|
1.0
|
|
CD2
|
C:TYR7
|
4.4
|
76.0
|
1.0
|
|
CG1
|
C:VAL76
|
4.4
|
63.3
|
1.0
|
|
CA
|
C:LEU6
|
4.5
|
59.1
|
1.0
|
|
CG
|
C:TYR7
|
4.5
|
73.5
|
1.0
|
|
CB
|
C:VAL76
|
4.6
|
59.0
|
1.0
|
|
O
|
C:TYR7
|
4.6
|
65.0
|
1.0
|
|
CB
|
C:LEU10
|
4.7
|
56.0
|
1.0
|
|
F08
|
C:5VU1208
|
4.7
|
97.7
|
1.0
|
|
O01
|
C:5VU1208
|
4.9
|
88.3
|
1.0
|
|
Fluorine binding site 7 out
of 12 in 5afk
Go back to
Fluorine Binding Sites List in 5afk
Fluorine binding site 7 out
of 12 in the ALPHA7-Achbp in Complex with Lobeline and Fragment 2
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of ALPHA7-Achbp in Complex with Lobeline and Fragment 2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F1206
b:81.8
occ:1.00
|
F08
|
D:5VU1206
|
0.0
|
81.8
|
1.0
|
|
C07
|
D:5VU1206
|
1.3
|
82.3
|
1.0
|
|
C09
|
D:5VU1206
|
2.3
|
87.5
|
1.0
|
|
C06
|
D:5VU1206
|
2.4
|
81.8
|
1.0
|
|
CB
|
D:GLN3
|
3.5
|
61.9
|
1.0
|
|
C10
|
D:5VU1206
|
3.6
|
95.0
|
1.0
|
|
CG1
|
D:VAL76
|
3.6
|
48.2
|
1.0
|
|
C05
|
D:5VU1206
|
3.6
|
86.6
|
1.0
|
|
CG2
|
C:VAL18
|
3.9
|
64.8
|
1.0
|
|
CB
|
D:VAL76
|
3.9
|
45.2
|
1.0
|
|
CG
|
D:GLN3
|
4.1
|
73.2
|
1.0
|
|
CG1
|
C:VAL18
|
4.1
|
73.5
|
1.0
|
|
CA
|
C:VAL18
|
4.1
|
61.9
|
1.0
|
|
C04
|
D:5VU1206
|
4.1
|
89.1
|
1.0
|
|
O
|
C:ASP17
|
4.1
|
65.9
|
1.0
|
|
CB
|
C:VAL18
|
4.2
|
67.5
|
1.0
|
|
O
|
C:HOH2035
|
4.3
|
60.2
|
1.0
|
|
O
|
D:GLN3
|
4.5
|
58.1
|
1.0
|
|
CA
|
D:GLN3
|
4.5
|
57.0
|
1.0
|
|
C
|
D:GLN3
|
4.7
|
57.7
|
1.0
|
|
F11
|
D:5VU1206
|
4.7
|
0.8
|
1.0
|
|
N
|
C:ILE19
|
4.7
|
50.2
|
1.0
|
|
C
|
C:ASP17
|
4.9
|
63.0
|
1.0
|
|
CA
|
D:VAL76
|
4.9
|
49.6
|
1.0
|
|
CG2
|
D:VAL76
|
4.9
|
43.8
|
1.0
|
|
N
|
D:SER77
|
4.9
|
48.4
|
1.0
|
|
N
|
C:VAL18
|
5.0
|
60.1
|
1.0
|
|
C
|
C:VAL18
|
5.0
|
55.0
|
1.0
|
|
O
|
D:SER77
|
5.0
|
51.3
|
1.0
|
|
Fluorine binding site 8 out
of 12 in 5afk
Go back to
Fluorine Binding Sites List in 5afk
Fluorine binding site 8 out
of 12 in the ALPHA7-Achbp in Complex with Lobeline and Fragment 2
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of ALPHA7-Achbp in Complex with Lobeline and Fragment 2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F1206
b:0.8
occ:1.00
|
F11
|
D:5VU1206
|
0.0
|
0.8
|
1.0
|
|
C10
|
D:5VU1206
|
1.3
|
95.0
|
1.0
|
|
C09
|
D:5VU1206
|
2.3
|
87.5
|
1.0
|
|
C04
|
D:5VU1206
|
2.4
|
89.1
|
1.0
|
|
N03
|
D:5VU1206
|
2.8
|
85.4
|
1.0
|
|
CA
|
D:TYR7
|
3.0
|
57.0
|
1.0
|
|
N
|
D:TYR7
|
3.3
|
60.4
|
1.0
|
|
CB
|
D:TYR7
|
3.4
|
53.3
|
1.0
|
|
C05
|
D:5VU1206
|
3.6
|
86.6
|
1.0
|
|
C07
|
D:5VU1206
|
3.6
|
82.3
|
1.0
|
|
C
|
D:LEU6
|
3.7
|
63.9
|
1.0
|
|
O
|
D:LEU6
|
3.8
|
69.1
|
1.0
|
|
C02
|
D:5VU1206
|
4.0
|
83.3
|
1.0
|
|
CG
|
D:LEU6
|
4.0
|
61.0
|
1.0
|
|
CD2
|
D:TYR7
|
4.0
|
52.4
|
1.0
|
|
C06
|
D:5VU1206
|
4.1
|
81.8
|
1.0
|
|
O
|
D:GLN3
|
4.1
|
58.1
|
1.0
|
|
CD1
|
D:LEU10
|
4.1
|
46.6
|
1.0
|
|
CG
|
D:TYR7
|
4.1
|
52.4
|
1.0
|
|
CD2
|
D:LEU6
|
4.3
|
58.2
|
1.0
|
|
C
|
D:TYR7
|
4.3
|
56.5
|
1.0
|
|
CB
|
D:LEU6
|
4.4
|
53.0
|
1.0
|
|
CG2
|
D:VAL76
|
4.6
|
43.8
|
1.0
|
|
O
|
D:TYR7
|
4.6
|
56.6
|
1.0
|
|
CG
|
D:LEU10
|
4.7
|
51.2
|
1.0
|
|
CA
|
D:LEU6
|
4.7
|
68.3
|
1.0
|
|
F08
|
D:5VU1206
|
4.7
|
81.8
|
1.0
|
|
O01
|
D:5VU1206
|
4.7
|
84.3
|
1.0
|
|
CB
|
D:LEU10
|
4.8
|
46.1
|
1.0
|
|
N12
|
D:5VU1206
|
4.8
|
79.1
|
1.0
|
|
C16
|
D:5VU1206
|
4.8
|
71.3
|
1.0
|
|
Fluorine binding site 9 out
of 12 in 5afk
Go back to
Fluorine Binding Sites List in 5afk
Fluorine binding site 9 out
of 12 in the ALPHA7-Achbp in Complex with Lobeline and Fragment 2
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of ALPHA7-Achbp in Complex with Lobeline and Fragment 2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F1207
b:20.0
occ:1.00
|
F08
|
E:5VU1207
|
0.0
|
20.0
|
1.0
|
|
C07
|
E:5VU1207
|
1.3
|
20.0
|
1.0
|
|
C09
|
E:5VU1207
|
2.3
|
20.0
|
1.0
|
|
C06
|
E:5VU1207
|
2.4
|
20.0
|
1.0
|
|
O
|
E:VAL85
|
2.7
|
32.6
|
1.0
|
|
O
|
E:HOH2014
|
3.2
|
46.0
|
1.0
|
|
C10
|
E:5VU1207
|
3.6
|
20.0
|
1.0
|
|
C05
|
E:5VU1207
|
3.6
|
20.0
|
1.0
|
|
CB
|
E:ASP87
|
3.6
|
26.9
|
1.0
|
|
N
|
E:ASP87
|
3.8
|
26.3
|
1.0
|
|
C
|
E:VAL85
|
3.9
|
36.6
|
1.0
|
|
O
|
E:HOH2045
|
4.0
|
44.8
|
1.0
|
|
CA
|
E:ASP87
|
4.0
|
34.0
|
1.0
|
|
C04
|
E:5VU1207
|
4.1
|
20.0
|
1.0
|
|
NE1
|
E:TRP84
|
4.1
|
42.1
|
1.0
|
|
C
|
E:PRO86
|
4.2
|
39.8
|
1.0
|
|
CD1
|
A:LEU104
|
4.3
|
32.3
|
1.0
|
|
CG2
|
E:VAL85
|
4.5
|
40.7
|
1.0
|
|
CD1
|
E:TRP84
|
4.5
|
41.3
|
1.0
|
|
N
|
E:VAL85
|
4.5
|
31.2
|
1.0
|
|
CG
|
E:ASP87
|
4.5
|
40.9
|
1.0
|
|
O
|
E:PRO86
|
4.6
|
28.7
|
1.0
|
|
CE2
|
E:TRP84
|
4.6
|
40.6
|
1.0
|
|
F11
|
E:5VU1207
|
4.6
|
20.0
|
1.0
|
|
CA
|
E:PRO86
|
4.7
|
28.2
|
1.0
|
|
CA
|
E:VAL85
|
4.8
|
41.3
|
1.0
|
|
N
|
E:PRO86
|
4.8
|
39.0
|
1.0
|
|
OD1
|
E:ASP87
|
5.0
|
30.4
|
1.0
|
|
Fluorine binding site 10 out
of 12 in 5afk
Go back to
Fluorine Binding Sites List in 5afk
Fluorine binding site 10 out
of 12 in the ALPHA7-Achbp in Complex with Lobeline and Fragment 2
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of ALPHA7-Achbp in Complex with Lobeline and Fragment 2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F1207
b:20.0
occ:1.00
|
F11
|
E:5VU1207
|
0.0
|
20.0
|
1.0
|
|
C10
|
E:5VU1207
|
1.3
|
20.0
|
1.0
|
|
NE2
|
E:HIS147
|
1.8
|
40.2
|
1.0
|
|
C04
|
E:5VU1207
|
2.3
|
20.0
|
1.0
|
|
C09
|
E:5VU1207
|
2.3
|
20.0
|
1.0
|
|
N03
|
E:5VU1207
|
2.6
|
20.0
|
1.0
|
|
CE1
|
E:HIS147
|
2.6
|
32.8
|
1.0
|
|
CD2
|
E:HIS147
|
2.6
|
30.9
|
1.0
|
|
NE1
|
E:TRP84
|
2.7
|
42.1
|
1.0
|
|
CB
|
E:ILE19
|
3.2
|
35.6
|
1.0
|
|
C02
|
E:5VU1207
|
3.3
|
20.0
|
1.0
|
|
CE2
|
E:TRP84
|
3.3
|
40.6
|
1.0
|
|
CZ2
|
E:TRP84
|
3.3
|
37.2
|
1.0
|
|
C05
|
E:5VU1207
|
3.5
|
20.0
|
1.0
|
|
O01
|
E:5VU1207
|
3.6
|
20.0
|
1.0
|
|
C07
|
E:5VU1207
|
3.6
|
20.0
|
1.0
|
|
ND1
|
E:HIS147
|
3.6
|
37.5
|
1.0
|
|
CG
|
E:HIS147
|
3.6
|
36.1
|
1.0
|
|
CD1
|
E:ILE19
|
3.8
|
34.5
|
1.0
|
|
CG1
|
E:ILE19
|
3.8
|
33.9
|
1.0
|
|
CD1
|
E:TRP84
|
3.9
|
41.3
|
1.0
|
|
CG2
|
E:ILE19
|
4.0
|
34.0
|
1.0
|
|
CA
|
E:ILE19
|
4.0
|
34.6
|
1.0
|
|
C06
|
E:5VU1207
|
4.0
|
20.0
|
1.0
|
|
N
|
E:ILE19
|
4.2
|
39.5
|
1.0
|
|
N12
|
E:5VU1207
|
4.3
|
20.0
|
1.0
|
|
F08
|
E:5VU1207
|
4.6
|
20.0
|
1.0
|
|
CD2
|
E:TRP84
|
4.6
|
43.4
|
1.0
|
|
CH2
|
E:TRP84
|
4.7
|
36.5
|
1.0
|
|
C16
|
E:5VU1207
|
4.7
|
20.0
|
1.0
|
|
OG
|
A:SER77
|
4.8
|
56.2
|
1.0
|
|
CB
|
A:SER77
|
4.9
|
31.1
|
1.0
|
|
CG
|
E:TRP84
|
4.9
|
46.5
|
1.0
|
|
OD1
|
E:ASP87
|
5.0
|
30.4
|
1.0
|
|
CB
|
E:HIS147
|
5.0
|
32.9
|
1.0
|
|
Reference:
R.Spurny,
S.Debaveye,
A.Farinha,
K.Veys,
A.M.Vos,
T.Gossas,
J.Atack,
S.Bertrand,
D.Bertrand,
U.H.Danielson,
G.Tresadern,
C.Ulens.
Molecular Blueprint of Allosteric Binding Sites in A Homologue of the Agonist-Binding Domain of the ALPHA7 Nicotinic Acetylcholine Receptor. Proc.Natl.Acad.Sci.Usa 2015.
ISSN: ESSN 1091-6490
PubMed: 25918415
DOI: 10.1073/PNAS.1418289112
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