Chlorine in PDB 3wtn: Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid
Protein crystallography data
The structure of Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid, PDB code: 3wtn
was solved by
T.Okajima,
M.Ihara,
A.Yamashita,
T.Oda,
K.Matsuda,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
47.84 /
2.09
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
77.006,
118.401,
243.591,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
21.3 /
26.2
|
Other elements in 3wtn:
The structure of Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid also contains other interesting chemical elements:
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
15;
Binding sites:
The binding sites of Chlorine atom in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid
(pdb code 3wtn). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 15 binding sites of Chlorine where determined in the
Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid, PDB code: 3wtn:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 15 in 3wtn
Go back to
Chlorine Binding Sites List in 3wtn
Chlorine binding site 1 out
of 15 in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl301
b:2.0
occ:1.00
|
CL1
|
A:N2Y301
|
0.0
|
2.0
|
1.0
|
|
C4
|
A:N2Y301
|
1.7
|
19.0
|
1.0
|
|
N6
|
A:N2Y301
|
2.7
|
20.6
|
1.0
|
|
C8
|
A:N2Y301
|
2.7
|
21.4
|
1.0
|
|
O
|
B:LEU112
|
3.0
|
19.7
|
1.0
|
|
O
|
B:HOH413
|
3.2
|
18.6
|
1.0
|
|
N
|
B:ARG104
|
3.5
|
21.2
|
1.0
|
|
CB
|
B:ARG104
|
3.7
|
24.5
|
1.0
|
|
C
|
B:LEU112
|
3.7
|
21.1
|
1.0
|
|
O
|
B:LEU102
|
3.8
|
19.4
|
1.0
|
|
CG
|
B:LEU112
|
3.9
|
26.8
|
1.0
|
|
C
|
B:ALA103
|
3.9
|
22.7
|
1.0
|
|
C5
|
A:N2Y301
|
3.9
|
22.9
|
1.0
|
|
N
|
B:MET114
|
4.0
|
19.0
|
1.0
|
|
CA
|
B:TYR113
|
4.0
|
20.4
|
1.0
|
|
CA
|
B:ALA103
|
4.0
|
20.5
|
1.0
|
|
C7
|
A:N2Y301
|
4.0
|
22.3
|
1.0
|
|
CD2
|
B:LEU112
|
4.1
|
27.9
|
1.0
|
|
N
|
B:TYR113
|
4.2
|
19.1
|
1.0
|
|
CA
|
B:ARG104
|
4.2
|
23.8
|
1.0
|
|
CG2
|
A:THR144
|
4.2
|
19.9
|
1.0
|
|
CB
|
B:LEU112
|
4.3
|
22.8
|
1.0
|
|
C
|
B:TYR113
|
4.4
|
19.6
|
1.0
|
|
C6
|
A:N2Y301
|
4.5
|
24.6
|
1.0
|
|
C
|
B:LEU102
|
4.6
|
20.1
|
1.0
|
|
CA
|
B:LEU112
|
4.7
|
21.3
|
1.0
|
|
CB
|
A:THR144
|
4.7
|
23.8
|
1.0
|
|
N
|
B:ALA103
|
4.8
|
21.6
|
1.0
|
|
O
|
B:ALA103
|
4.8
|
24.2
|
1.0
|
|
CB
|
B:MET114
|
4.8
|
24.1
|
1.0
|
|
CG
|
B:ARG104
|
4.9
|
28.9
|
1.0
|
|
CA
|
B:MET114
|
5.0
|
20.2
|
1.0
|
|
Chlorine binding site 2 out
of 15 in 3wtn
Go back to
Chlorine Binding Sites List in 3wtn
Chlorine binding site 2 out
of 15 in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl301
b:2.9
occ:0.55
|
CL1
|
B:N2Y301
|
0.0
|
2.9
|
0.6
|
|
CL1
|
B:N2Y301
|
0.4
|
1.6
|
0.5
|
|
C4
|
B:N2Y301
|
1.7
|
15.1
|
0.5
|
|
C4
|
B:N2Y301
|
1.8
|
18.4
|
0.6
|
|
N6
|
B:N2Y301
|
2.4
|
16.1
|
0.5
|
|
N6
|
B:N2Y301
|
2.7
|
17.4
|
0.6
|
|
C8
|
B:N2Y301
|
2.7
|
19.3
|
0.6
|
|
C8
|
B:N2Y301
|
2.8
|
13.9
|
0.5
|
|
O
|
C:LEU112
|
3.2
|
19.4
|
1.0
|
|
O
|
B:HOH410
|
3.3
|
18.1
|
1.0
|
|
N
|
C:ARG104
|
3.5
|
19.5
|
1.0
|
|
C5
|
B:N2Y301
|
3.7
|
19.3
|
0.5
|
|
O
|
C:LEU102
|
3.7
|
20.8
|
1.0
|
|
CB
|
C:ARG104
|
3.8
|
20.8
|
1.0
|
|
C
|
C:LEU112
|
3.9
|
21.9
|
1.0
|
|
CG
|
C:LEU112
|
3.9
|
23.5
|
1.0
|
|
CG2
|
B:THR144
|
4.0
|
18.6
|
1.0
|
|
C5
|
B:N2Y301
|
4.0
|
22.1
|
0.6
|
|
C
|
C:ALA103
|
4.0
|
20.6
|
1.0
|
|
C7
|
B:N2Y301
|
4.0
|
24.5
|
0.6
|
|
C7
|
B:N2Y301
|
4.1
|
18.4
|
0.5
|
|
CA
|
C:ALA103
|
4.1
|
20.6
|
1.0
|
|
CD2
|
C:LEU112
|
4.1
|
24.9
|
1.0
|
|
N
|
C:MET114
|
4.1
|
19.7
|
1.0
|
|
CA
|
C:TYR113
|
4.2
|
20.8
|
1.0
|
|
CA
|
C:ARG104
|
4.3
|
21.3
|
1.0
|
|
N
|
C:TYR113
|
4.4
|
21.2
|
1.0
|
|
C6
|
B:N2Y301
|
4.4
|
19.3
|
0.5
|
|
CB
|
C:LEU112
|
4.5
|
20.5
|
1.0
|
|
CB
|
B:THR144
|
4.5
|
18.8
|
1.0
|
|
C6
|
B:N2Y301
|
4.6
|
26.4
|
0.6
|
|
C
|
C:TYR113
|
4.6
|
20.8
|
1.0
|
|
C
|
C:LEU102
|
4.6
|
21.4
|
1.0
|
|
N
|
C:ALA103
|
4.8
|
20.2
|
1.0
|
|
CA
|
C:LEU112
|
4.8
|
20.2
|
1.0
|
|
CB
|
C:MET114
|
4.9
|
20.3
|
1.0
|
|
O
|
C:ALA103
|
4.9
|
24.5
|
1.0
|
|
Chlorine binding site 3 out
of 15 in 3wtn
Go back to
Chlorine Binding Sites List in 3wtn
Chlorine binding site 3 out
of 15 in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl301
b:1.6
occ:0.45
|
CL1
|
B:N2Y301
|
0.0
|
1.6
|
0.5
|
|
CL1
|
B:N2Y301
|
0.4
|
2.9
|
0.6
|
|
C4
|
B:N2Y301
|
1.7
|
18.4
|
0.6
|
|
C4
|
B:N2Y301
|
1.7
|
15.1
|
0.5
|
|
C8
|
B:N2Y301
|
2.5
|
19.3
|
0.6
|
|
N6
|
B:N2Y301
|
2.7
|
16.1
|
0.5
|
|
C8
|
B:N2Y301
|
2.8
|
13.9
|
0.5
|
|
N6
|
B:N2Y301
|
2.8
|
17.4
|
0.6
|
|
O
|
C:LEU112
|
3.2
|
19.4
|
1.0
|
|
N
|
C:ARG104
|
3.4
|
19.5
|
1.0
|
|
CB
|
C:ARG104
|
3.4
|
20.8
|
1.0
|
|
O
|
B:HOH410
|
3.7
|
18.1
|
1.0
|
|
CG
|
C:LEU112
|
3.8
|
23.5
|
1.0
|
|
C7
|
B:N2Y301
|
3.9
|
24.5
|
0.6
|
|
C
|
C:LEU112
|
3.9
|
21.9
|
1.0
|
|
C5
|
B:N2Y301
|
3.9
|
19.3
|
0.5
|
|
CD2
|
C:LEU112
|
3.9
|
24.9
|
1.0
|
|
C
|
C:ALA103
|
4.0
|
20.6
|
1.0
|
|
CA
|
C:ARG104
|
4.0
|
21.3
|
1.0
|
|
O
|
C:LEU102
|
4.0
|
20.8
|
1.0
|
|
C5
|
B:N2Y301
|
4.0
|
22.1
|
0.6
|
|
CG2
|
B:THR144
|
4.1
|
18.6
|
1.0
|
|
C7
|
B:N2Y301
|
4.1
|
18.4
|
0.5
|
|
CA
|
C:ALA103
|
4.2
|
20.6
|
1.0
|
|
CB
|
C:LEU112
|
4.3
|
20.5
|
1.0
|
|
N
|
C:MET114
|
4.4
|
19.7
|
1.0
|
|
CA
|
C:TYR113
|
4.4
|
20.8
|
1.0
|
|
CB
|
B:THR144
|
4.5
|
18.8
|
1.0
|
|
N
|
C:TYR113
|
4.5
|
21.2
|
1.0
|
|
C6
|
B:N2Y301
|
4.5
|
26.4
|
0.6
|
|
C6
|
B:N2Y301
|
4.5
|
19.3
|
0.5
|
|
CG
|
C:ARG104
|
4.7
|
23.4
|
1.0
|
|
CA
|
C:LEU112
|
4.8
|
20.2
|
1.0
|
|
C
|
C:LEU102
|
4.8
|
21.4
|
1.0
|
|
O
|
C:ALA103
|
4.8
|
24.5
|
1.0
|
|
C
|
C:TYR113
|
4.9
|
20.8
|
1.0
|
|
N
|
C:ALA103
|
5.0
|
20.2
|
1.0
|
|
Chlorine binding site 4 out
of 15 in 3wtn
Go back to
Chlorine Binding Sites List in 3wtn
Chlorine binding site 4 out
of 15 in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl301
b:1.7
occ:0.51
|
CL1
|
C:N2Y301
|
0.0
|
1.7
|
0.5
|
|
CL1
|
C:N2Y301
|
0.6
|
29.0
|
0.5
|
|
C4
|
C:N2Y301
|
1.6
|
32.4
|
0.5
|
|
C4
|
C:N2Y301
|
1.7
|
17.3
|
0.5
|
|
N6
|
C:N2Y301
|
2.3
|
31.4
|
0.5
|
|
N6
|
C:N2Y301
|
2.7
|
16.4
|
0.5
|
|
C8
|
C:N2Y301
|
2.7
|
17.5
|
0.5
|
|
C8
|
C:N2Y301
|
2.8
|
31.8
|
0.5
|
|
O
|
D:LEU112
|
3.1
|
24.9
|
1.0
|
|
O
|
C:HOH414
|
3.2
|
22.9
|
1.0
|
|
N
|
D:ARG104
|
3.4
|
24.4
|
1.0
|
|
C5
|
C:N2Y301
|
3.6
|
32.3
|
0.5
|
|
CB
|
D:ARG104
|
3.7
|
25.6
|
1.0
|
|
O
|
D:LEU102
|
3.8
|
22.3
|
1.0
|
|
C
|
D:LEU112
|
3.8
|
25.5
|
1.0
|
|
C
|
D:ALA103
|
3.9
|
24.3
|
1.0
|
|
CA
|
D:ALA103
|
3.9
|
22.4
|
1.0
|
|
CG
|
D:LEU112
|
3.9
|
27.9
|
1.0
|
|
C5
|
C:N2Y301
|
4.0
|
21.2
|
0.5
|
|
C7
|
C:N2Y301
|
4.0
|
33.4
|
0.5
|
|
C7
|
C:N2Y301
|
4.0
|
21.6
|
0.5
|
|
N
|
D:MET114
|
4.1
|
22.6
|
1.0
|
|
CA
|
D:ARG104
|
4.1
|
25.4
|
1.0
|
|
CG2
|
C:THR144
|
4.2
|
23.8
|
1.0
|
|
CA
|
D:TYR113
|
4.2
|
24.2
|
1.0
|
|
N
|
D:TYR113
|
4.3
|
24.7
|
1.0
|
|
CD2
|
D:LEU112
|
4.3
|
30.1
|
1.0
|
|
C6
|
C:N2Y301
|
4.4
|
34.4
|
0.5
|
|
CB
|
D:LEU112
|
4.5
|
24.3
|
1.0
|
|
C6
|
C:N2Y301
|
4.5
|
23.5
|
0.5
|
|
C
|
D:TYR113
|
4.6
|
23.5
|
1.0
|
|
C
|
D:LEU102
|
4.6
|
21.8
|
1.0
|
|
CB
|
C:THR144
|
4.7
|
22.0
|
1.0
|
|
N
|
D:ALA103
|
4.7
|
21.7
|
1.0
|
|
CA
|
D:LEU112
|
4.8
|
24.1
|
1.0
|
|
O
|
D:ALA103
|
4.9
|
24.0
|
1.0
|
|
CB
|
D:MET114
|
4.9
|
26.9
|
1.0
|
|
CG
|
D:ARG104
|
4.9
|
30.7
|
1.0
|
|
Chlorine binding site 5 out
of 15 in 3wtn
Go back to
Chlorine Binding Sites List in 3wtn
Chlorine binding site 5 out
of 15 in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl301
b:29.0
occ:0.49
|
CL1
|
C:N2Y301
|
0.0
|
29.0
|
0.5
|
|
CL1
|
C:N2Y301
|
0.6
|
1.7
|
0.5
|
|
C4
|
C:N2Y301
|
1.7
|
32.4
|
0.5
|
|
C4
|
C:N2Y301
|
1.8
|
17.3
|
0.5
|
|
C8
|
C:N2Y301
|
2.5
|
17.5
|
0.5
|
|
N6
|
C:N2Y301
|
2.7
|
31.4
|
0.5
|
|
C8
|
C:N2Y301
|
2.7
|
31.8
|
0.5
|
|
N6
|
C:N2Y301
|
2.9
|
16.4
|
0.5
|
|
O
|
D:LEU112
|
3.0
|
24.9
|
1.0
|
|
N
|
D:ARG104
|
3.2
|
24.4
|
1.0
|
|
CB
|
D:ARG104
|
3.3
|
25.6
|
1.0
|
|
CG
|
D:LEU112
|
3.6
|
27.9
|
1.0
|
|
C
|
D:LEU112
|
3.6
|
25.5
|
1.0
|
|
O
|
C:HOH414
|
3.8
|
22.9
|
1.0
|
|
CA
|
D:ARG104
|
3.8
|
25.4
|
1.0
|
|
C7
|
C:N2Y301
|
3.9
|
21.6
|
0.5
|
|
CD2
|
D:LEU112
|
3.9
|
30.1
|
1.0
|
|
C5
|
C:N2Y301
|
3.9
|
32.3
|
0.5
|
|
C
|
D:ALA103
|
3.9
|
24.3
|
1.0
|
|
C7
|
C:N2Y301
|
4.0
|
33.4
|
0.5
|
|
CB
|
D:LEU112
|
4.0
|
24.3
|
1.0
|
|
C5
|
C:N2Y301
|
4.1
|
21.2
|
0.5
|
|
CA
|
D:ALA103
|
4.1
|
22.4
|
1.0
|
|
O
|
D:LEU102
|
4.2
|
22.3
|
1.0
|
|
N
|
D:TYR113
|
4.3
|
24.7
|
1.0
|
|
CA
|
D:TYR113
|
4.3
|
24.2
|
1.0
|
|
N
|
D:MET114
|
4.4
|
22.6
|
1.0
|
|
CA
|
D:LEU112
|
4.5
|
24.1
|
1.0
|
|
CG2
|
C:THR144
|
4.5
|
23.8
|
1.0
|
|
C6
|
C:N2Y301
|
4.5
|
23.5
|
0.5
|
|
CG
|
D:ARG104
|
4.5
|
30.7
|
1.0
|
|
C6
|
C:N2Y301
|
4.5
|
34.4
|
0.5
|
|
C
|
D:TYR113
|
4.8
|
23.5
|
1.0
|
|
CD1
|
D:LEU112
|
4.8
|
27.0
|
1.0
|
|
CB
|
C:THR144
|
4.9
|
22.0
|
1.0
|
|
O
|
D:ALA103
|
4.9
|
24.0
|
1.0
|
|
C
|
D:ARG104
|
5.0
|
24.2
|
1.0
|
|
O
|
D:ARG104
|
5.0
|
23.0
|
1.0
|
|
C
|
D:LEU102
|
5.0
|
21.8
|
1.0
|
|
Chlorine binding site 6 out
of 15 in 3wtn
Go back to
Chlorine Binding Sites List in 3wtn
Chlorine binding site 6 out
of 15 in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl301
b:3.2
occ:1.00
|
CL1
|
D:N2Y301
|
0.0
|
3.2
|
1.0
|
|
C4
|
D:N2Y301
|
1.7
|
18.1
|
1.0
|
|
N6
|
D:N2Y301
|
2.7
|
22.2
|
1.0
|
|
C8
|
D:N2Y301
|
2.7
|
18.3
|
1.0
|
|
O
|
E:LEU112
|
3.0
|
25.5
|
1.0
|
|
N
|
E:ARG104
|
3.4
|
21.5
|
1.0
|
|
O
|
E:HOH409
|
3.5
|
21.4
|
1.0
|
|
CB
|
E:ARG104
|
3.6
|
20.5
|
1.0
|
|
O
|
E:LEU102
|
3.7
|
19.1
|
1.0
|
|
C
|
E:LEU112
|
3.8
|
25.4
|
1.0
|
|
CG2
|
D:THR144
|
3.9
|
19.4
|
1.0
|
|
C
|
E:ALA103
|
3.9
|
23.5
|
1.0
|
|
CA
|
E:ALA103
|
3.9
|
21.9
|
1.0
|
|
CG
|
E:LEU112
|
3.9
|
26.1
|
1.0
|
|
C5
|
D:N2Y301
|
4.0
|
22.6
|
1.0
|
|
C7
|
D:N2Y301
|
4.0
|
22.3
|
1.0
|
|
N
|
E:MET114
|
4.0
|
21.8
|
1.0
|
|
CA
|
E:TYR113
|
4.1
|
24.4
|
1.0
|
|
CA
|
E:ARG104
|
4.2
|
21.7
|
1.0
|
|
CD2
|
E:LEU112
|
4.2
|
28.8
|
1.0
|
|
N
|
E:TYR113
|
4.3
|
25.0
|
1.0
|
|
CB
|
E:LEU112
|
4.4
|
24.9
|
1.0
|
|
C
|
E:TYR113
|
4.5
|
23.9
|
1.0
|
|
CB
|
D:THR144
|
4.5
|
23.6
|
1.0
|
|
C6
|
D:N2Y301
|
4.5
|
23.7
|
1.0
|
|
C
|
E:LEU102
|
4.5
|
21.0
|
1.0
|
|
CB
|
E:MET114
|
4.6
|
25.2
|
1.0
|
|
N
|
E:ALA103
|
4.7
|
18.7
|
1.0
|
|
CA
|
E:LEU112
|
4.7
|
23.6
|
1.0
|
|
O
|
E:ALA103
|
4.8
|
26.0
|
1.0
|
|
CG
|
E:ARG104
|
4.9
|
24.4
|
1.0
|
|
CA
|
E:MET114
|
5.0
|
24.1
|
1.0
|
|
Chlorine binding site 7 out
of 15 in 3wtn
Go back to
Chlorine Binding Sites List in 3wtn
Chlorine binding site 7 out
of 15 in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl301
b:26.1
occ:0.53
|
CL1
|
E:N2Y301
|
0.0
|
26.1
|
0.5
|
|
CL1
|
E:N2Y301
|
0.5
|
6.3
|
0.5
|
|
C4
|
E:N2Y301
|
1.7
|
31.2
|
0.5
|
|
C4
|
E:N2Y301
|
2.0
|
22.1
|
0.5
|
|
N6
|
E:N2Y301
|
2.7
|
31.5
|
0.5
|
|
C8
|
E:N2Y301
|
2.7
|
22.6
|
0.5
|
|
C8
|
E:N2Y301
|
2.8
|
31.8
|
0.5
|
|
O
|
A:LEU112
|
3.0
|
22.7
|
1.0
|
|
N6
|
E:N2Y301
|
3.1
|
22.2
|
0.5
|
|
N
|
A:ARG104
|
3.2
|
23.8
|
1.0
|
|
CB
|
A:ARG104
|
3.3
|
25.2
|
1.0
|
|
C
|
A:LEU112
|
3.8
|
25.7
|
1.0
|
|
O
|
E:HOH405
|
3.8
|
25.0
|
1.0
|
|
CG
|
A:LEU112
|
3.8
|
30.7
|
1.0
|
|
C
|
A:ALA103
|
3.8
|
23.9
|
1.0
|
|
CA
|
A:ARG104
|
3.8
|
25.2
|
1.0
|
|
C5
|
E:N2Y301
|
3.9
|
33.0
|
0.5
|
|
CA
|
A:ALA103
|
4.0
|
21.6
|
1.0
|
|
C7
|
E:N2Y301
|
4.0
|
27.2
|
0.5
|
|
C7
|
E:N2Y301
|
4.1
|
32.9
|
0.5
|
|
CD2
|
A:LEU112
|
4.1
|
31.4
|
1.0
|
|
O
|
A:LEU102
|
4.1
|
20.8
|
1.0
|
|
CG2
|
E:THR144
|
4.2
|
22.6
|
1.0
|
|
CB
|
A:LEU112
|
4.2
|
28.5
|
1.0
|
|
C5
|
E:N2Y301
|
4.3
|
26.2
|
0.5
|
|
CA
|
A:TYR113
|
4.3
|
24.3
|
1.0
|
|
N
|
A:TYR113
|
4.4
|
23.9
|
1.0
|
|
N
|
A:MET114
|
4.4
|
24.2
|
1.0
|
|
CG
|
A:ARG104
|
4.5
|
31.3
|
1.0
|
|
C6
|
E:N2Y301
|
4.5
|
33.6
|
0.5
|
|
CB
|
E:THR144
|
4.6
|
22.7
|
1.0
|
|
CA
|
A:LEU112
|
4.7
|
26.0
|
1.0
|
|
C6
|
E:N2Y301
|
4.7
|
28.2
|
0.5
|
|
O
|
A:ALA103
|
4.7
|
24.9
|
1.0
|
|
C
|
A:TYR113
|
4.8
|
24.4
|
1.0
|
|
C
|
A:LEU102
|
4.8
|
19.9
|
1.0
|
|
N
|
A:ALA103
|
4.8
|
18.8
|
1.0
|
|
Chlorine binding site 8 out
of 15 in 3wtn
Go back to
Chlorine Binding Sites List in 3wtn
Chlorine binding site 8 out
of 15 in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl301
b:6.3
occ:0.47
|
CL1
|
E:N2Y301
|
0.0
|
6.3
|
0.5
|
|
CL1
|
E:N2Y301
|
0.5
|
26.1
|
0.5
|
|
C4
|
E:N2Y301
|
1.5
|
31.2
|
0.5
|
|
C4
|
E:N2Y301
|
1.8
|
22.1
|
0.5
|
|
N6
|
E:N2Y301
|
2.2
|
31.5
|
0.5
|
|
C8
|
E:N2Y301
|
2.7
|
31.8
|
0.5
|
|
N6
|
E:N2Y301
|
2.7
|
22.2
|
0.5
|
|
C8
|
E:N2Y301
|
2.7
|
22.6
|
0.5
|
|
O
|
E:HOH405
|
3.3
|
25.0
|
1.0
|
|
O
|
A:LEU112
|
3.3
|
22.7
|
1.0
|
|
C5
|
E:N2Y301
|
3.5
|
33.0
|
0.5
|
|
N
|
A:ARG104
|
3.5
|
23.8
|
1.0
|
|
O
|
A:LEU102
|
3.8
|
20.8
|
1.0
|
|
CB
|
A:ARG104
|
3.8
|
25.2
|
1.0
|
|
C7
|
E:N2Y301
|
3.9
|
32.9
|
0.5
|
|
CG2
|
E:THR144
|
4.0
|
22.6
|
1.0
|
|
C5
|
E:N2Y301
|
4.0
|
26.2
|
0.5
|
|
C
|
A:LEU112
|
4.0
|
25.7
|
1.0
|
|
CG
|
A:LEU112
|
4.0
|
30.7
|
1.0
|
|
C
|
A:ALA103
|
4.0
|
23.9
|
1.0
|
|
CA
|
A:ALA103
|
4.0
|
21.6
|
1.0
|
|
C7
|
E:N2Y301
|
4.0
|
27.2
|
0.5
|
|
N
|
A:MET114
|
4.1
|
24.2
|
1.0
|
|
C6
|
E:N2Y301
|
4.2
|
33.6
|
0.5
|
|
CA
|
A:TYR113
|
4.2
|
24.3
|
1.0
|
|
CA
|
A:ARG104
|
4.3
|
25.2
|
1.0
|
|
CD2
|
A:LEU112
|
4.3
|
31.4
|
1.0
|
|
N
|
A:TYR113
|
4.4
|
23.9
|
1.0
|
|
CB
|
E:THR144
|
4.5
|
22.7
|
1.0
|
|
C6
|
E:N2Y301
|
4.6
|
28.2
|
0.5
|
|
C
|
A:TYR113
|
4.6
|
24.4
|
1.0
|
|
CB
|
A:LEU112
|
4.6
|
28.5
|
1.0
|
|
C
|
A:LEU102
|
4.6
|
19.9
|
1.0
|
|
CB
|
A:MET114
|
4.8
|
25.9
|
1.0
|
|
N
|
A:ALA103
|
4.8
|
18.8
|
1.0
|
|
O
|
A:ALA103
|
5.0
|
24.9
|
1.0
|
|
CA
|
A:LEU112
|
5.0
|
26.0
|
1.0
|
|
CA
|
A:MET114
|
5.0
|
25.1
|
1.0
|
|
Chlorine binding site 9 out
of 15 in 3wtn
Go back to
Chlorine Binding Sites List in 3wtn
Chlorine binding site 9 out
of 15 in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cl301
b:7.9
occ:0.55
|
CL1
|
F:N2Y301
|
0.0
|
7.9
|
0.6
|
|
CL1
|
F:N2Y301
|
0.5
|
34.3
|
0.5
|
|
C4
|
F:N2Y301
|
1.4
|
35.2
|
0.5
|
|
C4
|
F:N2Y301
|
1.8
|
23.3
|
0.6
|
|
N6
|
F:N2Y301
|
2.2
|
34.5
|
0.5
|
|
C8
|
F:N2Y301
|
2.6
|
35.0
|
0.5
|
|
N6
|
F:N2Y301
|
2.7
|
23.8
|
0.6
|
|
C8
|
F:N2Y301
|
2.8
|
25.0
|
0.6
|
|
O
|
G:LEU112
|
3.2
|
25.3
|
1.0
|
|
O
|
F:HOH418
|
3.4
|
26.8
|
1.0
|
|
N
|
G:ARG104
|
3.5
|
26.6
|
1.0
|
|
C5
|
F:N2Y301
|
3.5
|
35.4
|
0.5
|
|
CB
|
G:ARG104
|
3.7
|
30.7
|
1.0
|
|
C7
|
F:N2Y301
|
3.8
|
35.9
|
0.5
|
|
C
|
G:LEU112
|
3.9
|
24.6
|
1.0
|
|
O
|
G:LEU102
|
3.9
|
25.4
|
1.0
|
|
CA
|
G:ALA103
|
4.0
|
28.0
|
1.0
|
|
C5
|
F:N2Y301
|
4.0
|
28.1
|
0.6
|
|
C
|
G:ALA103
|
4.0
|
28.4
|
1.0
|
|
CG
|
G:LEU112
|
4.0
|
29.5
|
1.0
|
|
CG2
|
F:THR144
|
4.0
|
25.4
|
1.0
|
|
CD2
|
G:LEU112
|
4.0
|
29.0
|
1.0
|
|
C7
|
F:N2Y301
|
4.1
|
29.9
|
0.6
|
|
C6
|
F:N2Y301
|
4.2
|
37.5
|
0.5
|
|
CA
|
G:ARG104
|
4.2
|
28.4
|
1.0
|
|
N
|
G:MET114
|
4.3
|
28.4
|
1.0
|
|
CA
|
G:TYR113
|
4.3
|
25.5
|
1.0
|
|
CB
|
F:THR144
|
4.4
|
28.7
|
1.0
|
|
N
|
G:TYR113
|
4.4
|
25.0
|
1.0
|
|
CB
|
G:LEU112
|
4.5
|
26.4
|
1.0
|
|
C6
|
F:N2Y301
|
4.6
|
30.3
|
0.6
|
|
C
|
G:LEU102
|
4.7
|
25.6
|
1.0
|
|
C
|
G:TYR113
|
4.7
|
27.4
|
1.0
|
|
N
|
G:ALA103
|
4.7
|
25.9
|
1.0
|
|
CA
|
G:LEU112
|
4.8
|
26.4
|
1.0
|
|
CB
|
G:MET114
|
4.9
|
31.0
|
1.0
|
|
O
|
G:ALA103
|
4.9
|
28.4
|
1.0
|
|
CG
|
G:ARG104
|
5.0
|
34.3
|
1.0
|
|
Chlorine binding site 10 out
of 15 in 3wtn
Go back to
Chlorine Binding Sites List in 3wtn
Chlorine binding site 10 out
of 15 in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein Complexed with Desnitro-Imidacloprid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cl301
b:34.3
occ:0.45
|
CL1
|
F:N2Y301
|
0.0
|
34.3
|
0.5
|
|
CL1
|
F:N2Y301
|
0.5
|
7.9
|
0.6
|
|
C4
|
F:N2Y301
|
1.7
|
35.2
|
0.5
|
|
C4
|
F:N2Y301
|
2.0
|
23.3
|
0.6
|
|
N6
|
F:N2Y301
|
2.7
|
34.5
|
0.5
|
|
C8
|
F:N2Y301
|
2.7
|
35.0
|
0.5
|
|
C8
|
F:N2Y301
|
2.8
|
25.0
|
0.6
|
|
O
|
G:LEU112
|
2.9
|
25.3
|
1.0
|
|
N6
|
F:N2Y301
|
3.1
|
23.8
|
0.6
|
|
N
|
G:ARG104
|
3.1
|
26.6
|
1.0
|
|
CB
|
G:ARG104
|
3.3
|
30.7
|
1.0
|
|
C
|
G:ALA103
|
3.7
|
28.4
|
1.0
|
|
C
|
G:LEU112
|
3.7
|
24.6
|
1.0
|
|
CA
|
G:ALA103
|
3.8
|
28.0
|
1.0
|
|
O
|
F:HOH418
|
3.8
|
26.8
|
1.0
|
|
CA
|
G:ARG104
|
3.8
|
28.4
|
1.0
|
|
CG
|
G:LEU112
|
3.9
|
29.5
|
1.0
|
|
CD2
|
G:LEU112
|
3.9
|
29.0
|
1.0
|
|
C5
|
F:N2Y301
|
3.9
|
35.4
|
0.5
|
|
C7
|
F:N2Y301
|
4.0
|
35.9
|
0.5
|
|
O
|
G:LEU102
|
4.1
|
25.4
|
1.0
|
|
C7
|
F:N2Y301
|
4.2
|
29.9
|
0.6
|
|
CB
|
G:LEU112
|
4.2
|
26.4
|
1.0
|
|
CG2
|
F:THR144
|
4.2
|
25.4
|
1.0
|
|
C5
|
F:N2Y301
|
4.3
|
28.1
|
0.6
|
|
CA
|
G:TYR113
|
4.4
|
25.5
|
1.0
|
|
N
|
G:TYR113
|
4.4
|
25.0
|
1.0
|
|
C6
|
F:N2Y301
|
4.5
|
37.5
|
0.5
|
|
N
|
G:MET114
|
4.5
|
28.4
|
1.0
|
|
CB
|
F:THR144
|
4.5
|
28.7
|
1.0
|
|
CA
|
G:LEU112
|
4.6
|
26.4
|
1.0
|
|
CG
|
G:ARG104
|
4.6
|
34.3
|
1.0
|
|
O
|
G:ALA103
|
4.6
|
28.4
|
1.0
|
|
N
|
G:ALA103
|
4.7
|
25.9
|
1.0
|
|
C
|
G:LEU102
|
4.7
|
25.6
|
1.0
|
|
C6
|
F:N2Y301
|
4.8
|
30.3
|
0.6
|
|
C
|
G:TYR113
|
4.9
|
27.4
|
1.0
|
|
CB
|
G:ALA103
|
4.9
|
26.1
|
1.0
|
|
C
|
G:ARG104
|
4.9
|
30.1
|
1.0
|
|
O
|
G:ARG104
|
5.0
|
31.0
|
1.0
|
|
Reference:
M.Ihara,
T.Okajima,
A.Yamashita,
T.Oda,
T.Asano,
M.Matsui,
D.B.Sattelle,
K.Matsuda.
Studies on An Acetylcholine Binding Protein Identify A Basic Residue in Loop G on the Beta 1 Strand As A New Structural Determinant of Neonicotinoid Actions Mol.Pharmacol. V. 86 736 2014.
ISSN: ISSN 0026-895X
PubMed: 25267717
DOI: 10.1124/MOL.114.094698
Page generated: Sun Jul 21 07:44:26 2024
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