Chlorine in PDB 6gnw: Crystal Structure of Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T)
Protein crystallography data
The structure of Crystal Structure of Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T), PDB code: 6gnw
was solved by
C.Grundstrom,
J.Zhang,
A.Olofsson,
P.L.Andersson,
A.E.Sauer-Eriksson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
47.00 /
1.75
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
72.061,
76.088,
107.456,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
15.9 /
19.5
|
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Chlorine atom in the Crystal Structure of Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T)
(pdb code 6gnw). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the
Crystal Structure of Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T), PDB code: 6gnw:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 12 in 6gnw
Go back to
Chlorine Binding Sites List in 6gnw
Chlorine binding site 1 out
of 12 in the Crystal Structure of Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T)
 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 Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl201
b:24.6
occ:0.47
|
CL1
|
C:F52201
|
0.0
|
24.6
|
0.5
|
|
CL3
|
C:F52201
|
0.3
|
25.2
|
0.5
|
|
C08
|
C:F52201
|
1.7
|
21.7
|
0.5
|
|
C13
|
C:F52201
|
2.0
|
19.9
|
0.5
|
|
C07
|
C:F52201
|
2.7
|
19.1
|
0.5
|
|
C10
|
C:F52201
|
2.7
|
19.2
|
0.5
|
|
C06
|
C:F52201
|
2.9
|
21.4
|
0.5
|
|
C12
|
C:F52201
|
3.0
|
21.2
|
0.5
|
|
O05
|
C:F52201
|
3.0
|
30.9
|
0.5
|
|
O
|
C:LEU109
|
3.0
|
12.8
|
1.0
|
|
N
|
C:LEU109
|
3.2
|
11.4
|
1.0
|
|
C
|
C:LEU109
|
3.2
|
11.4
|
1.0
|
|
CL2
|
C:F52201
|
3.2
|
24.6
|
0.5
|
|
N
|
C:LEU110
|
3.6
|
9.3
|
1.0
|
|
O
|
C:LYS15
|
3.6
|
13.4
|
1.0
|
|
C04
|
C:F52201
|
3.7
|
35.4
|
0.5
|
|
CB
|
C:ALA108
|
3.7
|
15.7
|
1.0
|
|
CA
|
C:LEU109
|
3.8
|
6.5
|
1.0
|
|
C
|
C:ALA108
|
3.8
|
12.9
|
1.0
|
|
CG
|
C:LEU17
|
3.9
|
14.2
|
1.0
|
|
C06
|
C:F52201
|
4.0
|
17.2
|
0.5
|
|
CA
|
C:LEU110
|
4.0
|
10.6
|
1.0
|
|
C12
|
C:F52201
|
4.0
|
19.3
|
0.5
|
|
CB
|
C:LEU110
|
4.1
|
9.9
|
1.0
|
|
CA
|
C:ALA108
|
4.1
|
12.8
|
1.0
|
|
CD1
|
C:LEU17
|
4.1
|
15.7
|
1.0
|
|
CB
|
C:LEU17
|
4.2
|
11.6
|
1.0
|
|
C07
|
C:F52201
|
4.2
|
18.8
|
0.5
|
|
N
|
C:LEU17
|
4.2
|
8.4
|
1.0
|
|
C10
|
C:F52201
|
4.3
|
17.3
|
0.5
|
|
O03
|
C:F52201
|
4.4
|
23.5
|
0.5
|
|
C13
|
C:F52201
|
4.5
|
18.9
|
0.5
|
|
C
|
C:LYS15
|
4.6
|
12.3
|
1.0
|
|
O
|
C:ALA108
|
4.7
|
13.4
|
1.0
|
|
C08
|
C:F52201
|
4.8
|
23.4
|
0.5
|
|
CA
|
C:LEU17
|
4.8
|
9.4
|
1.0
|
|
CA
|
C:ILE16
|
4.9
|
11.3
|
1.0
|
|
C
|
C:ILE16
|
4.9
|
11.7
|
1.0
|
|
CD1
|
C:LEU110
|
4.9
|
10.9
|
1.0
|
|
Chlorine binding site 2 out
of 12 in 6gnw
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Chlorine Binding Sites List in 6gnw
Chlorine binding site 2 out
of 12 in the Crystal Structure of Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T)
 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 Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl201
b:21.9
occ:0.53
|
CL1
|
C:F52201
|
0.0
|
21.9
|
0.5
|
|
CL3
|
C:F52201
|
0.4
|
30.0
|
0.5
|
|
C08
|
C:F52201
|
1.7
|
23.4
|
0.5
|
|
C13
|
C:F52201
|
2.0
|
18.9
|
0.5
|
|
C07
|
C:F52201
|
2.7
|
18.8
|
0.5
|
|
C10
|
C:F52201
|
2.7
|
17.3
|
0.5
|
|
C06
|
C:F52201
|
2.9
|
17.2
|
0.5
|
|
O05
|
C:F52201
|
2.9
|
26.4
|
0.5
|
|
C12
|
C:F52201
|
3.0
|
19.3
|
0.5
|
|
O
|
A:LEU109
|
3.1
|
10.9
|
1.0
|
|
CL2
|
C:F52201
|
3.2
|
21.7
|
0.5
|
|
N
|
A:LEU109
|
3.2
|
9.6
|
1.0
|
|
C
|
A:LEU109
|
3.2
|
9.0
|
1.0
|
|
O
|
A:LYS15
|
3.5
|
11.7
|
1.0
|
|
C04
|
C:F52201
|
3.6
|
23.6
|
0.5
|
|
N
|
A:LEU110
|
3.7
|
8.3
|
1.0
|
|
CB
|
A:ALA108
|
3.7
|
14.3
|
1.0
|
|
CA
|
A:LEU109
|
3.8
|
8.5
|
1.0
|
|
C
|
A:ALA108
|
3.8
|
9.8
|
1.0
|
|
CG
|
A:LEU17
|
3.9
|
17.5
|
1.0
|
|
C06
|
C:F52201
|
4.0
|
21.4
|
0.5
|
|
C12
|
C:F52201
|
4.0
|
21.2
|
0.5
|
|
CA
|
A:ALA108
|
4.1
|
10.6
|
1.0
|
|
CD1
|
A:LEU17
|
4.1
|
15.1
|
1.0
|
|
CA
|
A:LEU110
|
4.1
|
8.2
|
1.0
|
|
CB
|
A:LEU110
|
4.1
|
10.6
|
1.0
|
|
C07
|
C:F52201
|
4.2
|
19.1
|
0.5
|
|
CB
|
A:LEU17
|
4.3
|
13.4
|
1.0
|
|
N
|
A:LEU17
|
4.3
|
10.0
|
1.0
|
|
C10
|
C:F52201
|
4.3
|
19.2
|
0.5
|
|
C
|
A:LYS15
|
4.5
|
11.7
|
1.0
|
|
C13
|
C:F52201
|
4.5
|
19.9
|
0.5
|
|
O
|
A:ALA108
|
4.7
|
11.7
|
1.0
|
|
C08
|
C:F52201
|
4.8
|
21.7
|
0.5
|
|
CA
|
A:ILE16
|
4.8
|
8.8
|
1.0
|
|
C02
|
C:F52201
|
4.9
|
30.4
|
0.5
|
|
C
|
A:ILE16
|
4.9
|
11.2
|
1.0
|
|
CA
|
A:LEU17
|
4.9
|
9.0
|
1.0
|
|
Chlorine binding site 3 out
of 12 in 6gnw
Go back to
Chlorine Binding Sites List in 6gnw
Chlorine binding site 3 out
of 12 in the Crystal Structure of Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T)
 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 Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl201
b:24.6
occ:0.47
|
CL2
|
C:F52201
|
0.0
|
24.6
|
0.5
|
|
C10
|
C:F52201
|
1.7
|
19.2
|
0.5
|
|
C12
|
C:F52201
|
2.7
|
19.3
|
0.5
|
|
C08
|
C:F52201
|
2.7
|
21.7
|
0.5
|
|
C12
|
C:F52201
|
2.8
|
21.2
|
0.5
|
|
C13
|
C:F52201
|
2.9
|
19.9
|
0.5
|
|
CL3
|
C:F52201
|
3.2
|
25.2
|
0.5
|
|
CL1
|
C:F52201
|
3.2
|
24.6
|
0.5
|
|
OG1
|
C:THR119
|
3.5
|
20.7
|
0.4
|
|
C10
|
C:F52201
|
3.6
|
17.3
|
0.5
|
|
O
|
C:THR117
|
3.6
|
12.8
|
1.0
|
|
C06
|
C:F52201
|
3.8
|
21.4
|
0.5
|
|
CB
|
C:LEU110
|
3.8
|
9.9
|
1.0
|
|
N
|
C:LEU110
|
3.9
|
9.3
|
1.0
|
|
CG2
|
C:THR117
|
4.0
|
13.8
|
1.0
|
|
C13
|
C:F52201
|
4.0
|
18.9
|
0.5
|
|
C07
|
C:F52201
|
4.0
|
19.1
|
0.5
|
|
CB
|
C:ALA108
|
4.0
|
15.7
|
1.0
|
|
C
|
C:ALA108
|
4.1
|
12.9
|
1.0
|
|
O
|
C:ALA108
|
4.1
|
13.4
|
1.0
|
|
N
|
C:LEU109
|
4.2
|
11.4
|
1.0
|
|
C
|
C:THR117
|
4.2
|
9.0
|
1.0
|
|
C
|
C:LEU109
|
4.3
|
11.4
|
1.0
|
|
CG2
|
C:THR119
|
4.3
|
7.7
|
0.6
|
|
C08
|
C:F52201
|
4.3
|
23.4
|
0.5
|
|
CB
|
C:THR117
|
4.4
|
12.0
|
1.0
|
|
C07
|
C:F52201
|
4.4
|
18.8
|
0.5
|
|
CA
|
C:LEU109
|
4.4
|
6.5
|
1.0
|
|
CB
|
C:THR119
|
4.4
|
14.0
|
0.4
|
|
CL2
|
C:F52201
|
4.5
|
21.7
|
0.5
|
|
CA
|
C:LEU110
|
4.5
|
10.6
|
1.0
|
|
N
|
C:THR119
|
4.5
|
9.2
|
0.4
|
|
O05
|
C:F52201
|
4.5
|
30.9
|
0.5
|
|
CD2
|
A:LEU110
|
4.5
|
19.2
|
1.0
|
|
C06
|
C:F52201
|
4.5
|
17.2
|
0.5
|
|
N
|
C:THR119
|
4.6
|
9.2
|
0.6
|
|
CA
|
C:THR118
|
4.7
|
13.5
|
0.4
|
|
CA
|
C:ALA108
|
4.7
|
12.8
|
1.0
|
|
N
|
C:THR118
|
4.8
|
10.2
|
0.4
|
|
N
|
C:THR118
|
4.8
|
10.2
|
0.6
|
|
CA
|
C:THR118
|
4.8
|
13.0
|
0.6
|
|
CD2
|
C:LEU110
|
4.9
|
13.5
|
1.0
|
|
C
|
C:THR118
|
4.9
|
14.2
|
0.6
|
|
C
|
C:THR118
|
4.9
|
13.9
|
0.4
|
|
CB
|
C:THR119
|
5.0
|
12.6
|
0.6
|
|
CA
|
C:THR117
|
5.0
|
8.2
|
1.0
|
|
O
|
C:LEU109
|
5.0
|
12.8
|
1.0
|
|
CG
|
C:LEU110
|
5.0
|
9.6
|
1.0
|
|
Chlorine binding site 4 out
of 12 in 6gnw
Go back to
Chlorine Binding Sites List in 6gnw
Chlorine binding site 4 out
of 12 in the Crystal Structure of Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T)
 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 Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl201
b:21.7
occ:0.53
|
CL2
|
C:F52201
|
0.0
|
21.7
|
0.5
|
|
C10
|
C:F52201
|
1.7
|
17.3
|
0.5
|
|
C12
|
C:F52201
|
2.7
|
21.2
|
0.5
|
|
C08
|
C:F52201
|
2.7
|
23.4
|
0.5
|
|
C12
|
C:F52201
|
2.8
|
19.3
|
0.5
|
|
C13
|
C:F52201
|
2.9
|
18.9
|
0.5
|
|
CL3
|
C:F52201
|
3.2
|
30.0
|
0.5
|
|
CL1
|
C:F52201
|
3.2
|
21.9
|
0.5
|
|
C10
|
C:F52201
|
3.6
|
19.2
|
0.5
|
|
O
|
A:THR117
|
3.7
|
9.9
|
1.0
|
|
C06
|
C:F52201
|
3.7
|
17.2
|
0.5
|
|
CB
|
A:LEU110
|
3.9
|
10.6
|
1.0
|
|
CG2
|
A:THR119
|
4.0
|
17.8
|
1.0
|
|
CB
|
A:ALA108
|
4.0
|
14.3
|
1.0
|
|
CG2
|
A:THR117
|
4.0
|
12.7
|
1.0
|
|
C13
|
C:F52201
|
4.0
|
19.9
|
0.5
|
|
C07
|
C:F52201
|
4.0
|
18.8
|
0.5
|
|
N
|
A:LEU110
|
4.0
|
8.3
|
1.0
|
|
C
|
A:ALA108
|
4.1
|
9.8
|
1.0
|
|
O
|
A:ALA108
|
4.2
|
11.7
|
1.0
|
|
N
|
A:LEU109
|
4.2
|
9.6
|
1.0
|
|
C08
|
C:F52201
|
4.3
|
21.7
|
0.5
|
|
C07
|
C:F52201
|
4.3
|
19.1
|
0.5
|
|
C
|
A:LEU109
|
4.3
|
9.0
|
1.0
|
|
C
|
A:THR117
|
4.3
|
15.0
|
1.0
|
|
CB
|
A:THR117
|
4.4
|
11.8
|
1.0
|
|
CA
|
A:LEU109
|
4.4
|
8.5
|
1.0
|
|
O05
|
C:F52201
|
4.5
|
26.4
|
0.5
|
|
CL2
|
C:F52201
|
4.5
|
24.6
|
0.5
|
|
CD2
|
C:LEU110
|
4.5
|
13.5
|
1.0
|
|
C06
|
C:F52201
|
4.5
|
21.4
|
0.5
|
|
N
|
A:THR119
|
4.5
|
10.9
|
1.0
|
|
CA
|
A:LEU110
|
4.6
|
8.2
|
1.0
|
|
CA
|
A:ALA108
|
4.7
|
10.6
|
1.0
|
|
CB
|
A:THR119
|
4.7
|
14.5
|
1.0
|
|
CA
|
A:THR118
|
4.7
|
13.9
|
0.6
|
|
C
|
A:THR118
|
4.9
|
14.0
|
0.4
|
|
N
|
A:THR118
|
4.9
|
13.3
|
0.6
|
|
N
|
A:THR118
|
4.9
|
13.3
|
0.4
|
|
CA
|
A:THR118
|
4.9
|
13.8
|
0.4
|
|
CD2
|
A:LEU110
|
4.9
|
19.2
|
1.0
|
|
C
|
A:THR118
|
5.0
|
14.1
|
0.6
|
|
Chlorine binding site 5 out
of 12 in 6gnw
Go back to
Chlorine Binding Sites List in 6gnw
Chlorine binding site 5 out
of 12 in the Crystal Structure of Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T)
 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 Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl201
b:30.0
occ:0.47
|
CL3
|
C:F52201
|
0.0
|
30.0
|
0.5
|
|
CL1
|
C:F52201
|
0.4
|
21.9
|
0.5
|
|
C08
|
C:F52201
|
1.5
|
23.4
|
0.5
|
|
C13
|
C:F52201
|
1.7
|
18.9
|
0.5
|
|
C07
|
C:F52201
|
2.4
|
18.8
|
0.5
|
|
C10
|
C:F52201
|
2.6
|
17.3
|
0.5
|
|
C06
|
C:F52201
|
2.7
|
17.2
|
0.5
|
|
C12
|
C:F52201
|
2.7
|
19.3
|
0.5
|
|
O05
|
C:F52201
|
2.9
|
26.4
|
0.5
|
|
CL2
|
C:F52201
|
3.2
|
21.7
|
0.5
|
|
O
|
A:LEU109
|
3.3
|
10.9
|
1.0
|
|
C
|
A:LEU109
|
3.5
|
9.0
|
1.0
|
|
N
|
A:LEU109
|
3.6
|
9.6
|
1.0
|
|
C04
|
C:F52201
|
3.6
|
23.6
|
0.5
|
|
CG
|
A:LEU17
|
3.7
|
17.5
|
1.0
|
|
C06
|
C:F52201
|
3.7
|
21.4
|
0.5
|
|
CD1
|
A:LEU17
|
3.8
|
15.1
|
1.0
|
|
O
|
A:LYS15
|
3.8
|
11.7
|
1.0
|
|
C12
|
C:F52201
|
3.8
|
21.2
|
0.5
|
|
N
|
A:LEU110
|
3.8
|
8.3
|
1.0
|
|
CB
|
A:ALA108
|
4.0
|
14.3
|
1.0
|
|
C07
|
C:F52201
|
4.0
|
19.1
|
0.5
|
|
C10
|
C:F52201
|
4.0
|
19.2
|
0.5
|
|
CB
|
A:LEU110
|
4.0
|
10.6
|
1.0
|
|
CB
|
A:LEU17
|
4.1
|
13.4
|
1.0
|
|
CA
|
A:LEU110
|
4.1
|
8.2
|
1.0
|
|
CA
|
A:LEU109
|
4.1
|
8.5
|
1.0
|
|
C
|
A:ALA108
|
4.2
|
9.8
|
1.0
|
|
C13
|
C:F52201
|
4.3
|
19.9
|
0.5
|
|
N
|
A:LEU17
|
4.4
|
10.0
|
1.0
|
|
CA
|
A:ALA108
|
4.4
|
10.6
|
1.0
|
|
C08
|
C:F52201
|
4.5
|
21.7
|
0.5
|
|
C02
|
C:F52201
|
4.7
|
30.4
|
0.5
|
|
C
|
A:LYS15
|
4.7
|
11.7
|
1.0
|
|
O05
|
C:F52201
|
4.8
|
30.9
|
0.5
|
|
O03
|
C:F52201
|
4.9
|
23.5
|
0.5
|
|
CA
|
A:LEU17
|
4.9
|
9.0
|
1.0
|
|
CD1
|
A:LEU110
|
4.9
|
13.8
|
1.0
|
|
Chlorine binding site 6 out
of 12 in 6gnw
Go back to
Chlorine Binding Sites List in 6gnw
Chlorine binding site 6 out
of 12 in the Crystal Structure of Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T)
 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 Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl201
b:25.2
occ:0.53
|
CL3
|
C:F52201
|
0.0
|
25.2
|
0.5
|
|
CL1
|
C:F52201
|
0.3
|
24.6
|
0.5
|
|
C08
|
C:F52201
|
1.5
|
21.7
|
0.5
|
|
C13
|
C:F52201
|
1.7
|
19.9
|
0.5
|
|
C07
|
C:F52201
|
2.4
|
19.1
|
0.5
|
|
C10
|
C:F52201
|
2.6
|
19.2
|
0.5
|
|
C12
|
C:F52201
|
2.7
|
21.2
|
0.5
|
|
C06
|
C:F52201
|
2.7
|
21.4
|
0.5
|
|
O05
|
C:F52201
|
2.9
|
30.9
|
0.5
|
|
CL2
|
C:F52201
|
3.2
|
24.6
|
0.5
|
|
O
|
C:LEU109
|
3.3
|
12.8
|
1.0
|
|
C
|
C:LEU109
|
3.4
|
11.4
|
1.0
|
|
N
|
C:LEU109
|
3.5
|
11.4
|
1.0
|
|
C04
|
C:F52201
|
3.6
|
35.4
|
0.5
|
|
C06
|
C:F52201
|
3.7
|
17.2
|
0.5
|
|
CG
|
C:LEU17
|
3.7
|
14.2
|
1.0
|
|
N
|
C:LEU110
|
3.8
|
9.3
|
1.0
|
|
CD1
|
C:LEU17
|
3.8
|
15.7
|
1.0
|
|
C12
|
C:F52201
|
3.8
|
19.3
|
0.5
|
|
CB
|
C:ALA108
|
3.9
|
15.7
|
1.0
|
|
O
|
C:LYS15
|
3.9
|
13.4
|
1.0
|
|
C07
|
C:F52201
|
4.0
|
18.8
|
0.5
|
|
C10
|
C:F52201
|
4.0
|
17.3
|
0.5
|
|
CB
|
C:LEU110
|
4.0
|
9.9
|
1.0
|
|
CA
|
C:LEU109
|
4.1
|
6.5
|
1.0
|
|
CB
|
C:LEU17
|
4.1
|
11.6
|
1.0
|
|
C
|
C:ALA108
|
4.1
|
12.9
|
1.0
|
|
CA
|
C:LEU110
|
4.1
|
10.6
|
1.0
|
|
O03
|
C:F52201
|
4.2
|
23.5
|
0.5
|
|
C13
|
C:F52201
|
4.3
|
18.9
|
0.5
|
|
CA
|
C:ALA108
|
4.3
|
12.8
|
1.0
|
|
N
|
C:LEU17
|
4.3
|
8.4
|
1.0
|
|
C08
|
C:F52201
|
4.5
|
23.4
|
0.5
|
|
C
|
C:LYS15
|
4.8
|
12.3
|
1.0
|
|
CD1
|
C:LEU110
|
4.8
|
10.9
|
1.0
|
|
O05
|
C:F52201
|
4.8
|
26.4
|
0.5
|
|
CA
|
C:LEU17
|
4.8
|
9.4
|
1.0
|
|
C02
|
C:F52201
|
4.8
|
31.1
|
0.5
|
|
C02
|
C:F52201
|
4.9
|
30.4
|
0.5
|
|
O
|
C:ALA108
|
4.9
|
13.4
|
1.0
|
|
Chlorine binding site 7 out
of 12 in 6gnw
Go back to
Chlorine Binding Sites List in 6gnw
Chlorine binding site 7 out
of 12 in the Crystal Structure of Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T)
 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 Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl201
b:31.1
occ:0.47
|
CL1
|
D:F52201
|
0.0
|
31.1
|
0.5
|
|
CL3
|
D:F52201
|
0.6
|
17.6
|
0.5
|
|
C08
|
D:F52201
|
1.7
|
23.1
|
0.5
|
|
C13
|
D:F52201
|
2.1
|
17.2
|
0.5
|
|
C07
|
D:F52201
|
2.7
|
25.1
|
0.5
|
|
C10
|
D:F52201
|
2.7
|
18.3
|
0.5
|
|
O
|
D:LEU109
|
2.9
|
11.7
|
1.0
|
|
C12
|
D:F52201
|
2.9
|
22.4
|
0.5
|
|
C
|
D:LEU109
|
3.1
|
8.2
|
1.0
|
|
C06
|
D:F52201
|
3.1
|
29.5
|
0.5
|
|
CL2
|
D:F52201
|
3.2
|
21.2
|
0.5
|
|
N
|
D:LEU109
|
3.2
|
12.3
|
1.0
|
|
O05
|
D:F52201
|
3.3
|
24.0
|
0.5
|
|
N
|
D:LEU110
|
3.5
|
7.8
|
1.0
|
|
CA
|
D:LEU109
|
3.7
|
9.0
|
1.0
|
|
O
|
D:LYS15
|
3.8
|
11.1
|
1.0
|
|
CA
|
D:LEU110
|
3.8
|
7.3
|
1.0
|
|
CB
|
D:LEU110
|
3.8
|
9.4
|
1.0
|
|
C
|
D:ALA108
|
3.9
|
11.2
|
1.0
|
|
CG
|
D:LEU17
|
3.9
|
12.1
|
1.0
|
|
CB
|
D:ALA108
|
3.9
|
14.3
|
1.0
|
|
C06
|
D:F52201
|
4.0
|
25.1
|
0.5
|
|
CD1
|
D:LEU17
|
4.0
|
17.2
|
1.0
|
|
C12
|
D:F52201
|
4.0
|
22.3
|
0.5
|
|
CB
|
D:LEU17
|
4.1
|
9.2
|
1.0
|
|
N
|
D:LEU17
|
4.2
|
9.0
|
1.0
|
|
CA
|
D:ALA108
|
4.2
|
12.5
|
1.0
|
|
C10
|
D:F52201
|
4.3
|
18.0
|
0.5
|
|
C07
|
D:F52201
|
4.4
|
19.4
|
0.5
|
|
C13
|
D:F52201
|
4.5
|
19.2
|
0.5
|
|
O01
|
D:F52201
|
4.6
|
24.7
|
0.5
|
|
C04
|
D:F52201
|
4.6
|
28.4
|
0.5
|
|
C
|
D:LYS15
|
4.7
|
14.0
|
1.0
|
|
O03
|
D:F52201
|
4.7
|
38.2
|
0.5
|
|
O
|
D:ALA108
|
4.8
|
13.8
|
1.0
|
|
CD1
|
D:LEU110
|
4.8
|
12.1
|
1.0
|
|
CA
|
D:LEU17
|
4.8
|
10.1
|
1.0
|
|
CA
|
D:ILE16
|
4.9
|
10.4
|
1.0
|
|
C08
|
D:F52201
|
4.9
|
23.6
|
0.5
|
|
CG
|
D:LEU110
|
4.9
|
12.6
|
1.0
|
|
C
|
D:ILE16
|
4.9
|
12.2
|
1.0
|
|
Chlorine binding site 8 out
of 12 in 6gnw
Go back to
Chlorine Binding Sites List in 6gnw
Chlorine binding site 8 out
of 12 in the Crystal Structure of Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T)
 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 Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl201
b:28.6
occ:0.53
|
CL1
|
D:F52201
|
0.0
|
28.6
|
0.5
|
|
CL3
|
D:F52201
|
0.5
|
19.7
|
0.5
|
|
C08
|
D:F52201
|
1.7
|
23.6
|
0.5
|
|
C13
|
D:F52201
|
2.1
|
19.2
|
0.5
|
|
C07
|
D:F52201
|
2.7
|
19.4
|
0.5
|
|
C10
|
D:F52201
|
2.7
|
18.0
|
0.5
|
|
C12
|
D:F52201
|
2.9
|
22.3
|
0.5
|
|
O
|
B:LEU109
|
3.0
|
12.8
|
1.0
|
|
C06
|
D:F52201
|
3.1
|
25.1
|
0.5
|
|
CL2
|
D:F52201
|
3.2
|
18.7
|
0.5
|
|
C
|
B:LEU109
|
3.3
|
9.6
|
1.0
|
|
O05
|
D:F52201
|
3.3
|
25.6
|
0.5
|
|
N
|
B:LEU109
|
3.4
|
8.2
|
1.0
|
|
O
|
B:LYS15
|
3.6
|
12.1
|
1.0
|
|
N
|
B:LEU110
|
3.7
|
8.3
|
1.0
|
|
CG
|
B:LEU17
|
3.7
|
11.5
|
1.0
|
|
CD1
|
B:LEU17
|
3.8
|
17.2
|
1.0
|
|
CB
|
B:ALA108
|
3.9
|
13.1
|
1.0
|
|
CA
|
B:LEU109
|
3.9
|
6.8
|
1.0
|
|
C
|
B:ALA108
|
4.0
|
10.9
|
1.0
|
|
C06
|
D:F52201
|
4.0
|
29.5
|
0.5
|
|
C12
|
D:F52201
|
4.0
|
22.4
|
0.5
|
|
CB
|
B:LEU17
|
4.0
|
8.8
|
1.0
|
|
CA
|
B:LEU110
|
4.0
|
9.9
|
1.0
|
|
CB
|
B:LEU110
|
4.1
|
9.6
|
1.0
|
|
N
|
B:LEU17
|
4.1
|
9.1
|
1.0
|
|
CA
|
B:ALA108
|
4.2
|
10.1
|
1.0
|
|
C10
|
D:F52201
|
4.3
|
18.3
|
0.5
|
|
C07
|
D:F52201
|
4.4
|
25.1
|
0.5
|
|
C13
|
D:F52201
|
4.5
|
17.2
|
0.5
|
|
C
|
B:LYS15
|
4.5
|
13.1
|
1.0
|
|
C04
|
D:F52201
|
4.6
|
26.4
|
0.5
|
|
CA
|
B:LEU17
|
4.7
|
9.2
|
1.0
|
|
C
|
B:ILE16
|
4.8
|
10.7
|
1.0
|
|
O
|
B:ALA108
|
4.8
|
11.0
|
1.0
|
|
CA
|
B:ILE16
|
4.8
|
9.1
|
1.0
|
|
C08
|
D:F52201
|
4.8
|
23.1
|
0.5
|
|
CD1
|
B:LEU110
|
4.9
|
13.9
|
1.0
|
|
O03
|
D:F52201
|
4.9
|
38.2
|
0.5
|
|
CG
|
B:LYS15
|
4.9
|
14.6
|
1.0
|
|
Chlorine binding site 9 out
of 12 in 6gnw
Go back to
Chlorine Binding Sites List in 6gnw
Chlorine binding site 9 out
of 12 in the Crystal Structure of Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T)
 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 Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl201
b:21.2
occ:0.47
|
CL2
|
D:F52201
|
0.0
|
21.2
|
0.5
|
|
C10
|
D:F52201
|
1.7
|
18.3
|
0.5
|
|
C12
|
D:F52201
|
2.7
|
22.3
|
0.5
|
|
C08
|
D:F52201
|
2.7
|
23.1
|
0.5
|
|
C12
|
D:F52201
|
2.9
|
22.4
|
0.5
|
|
C13
|
D:F52201
|
3.0
|
17.2
|
0.5
|
|
CL1
|
D:F52201
|
3.2
|
31.1
|
0.5
|
|
CL3
|
D:F52201
|
3.4
|
17.6
|
0.5
|
|
C10
|
D:F52201
|
3.6
|
18.0
|
0.5
|
|
O
|
D:THR117
|
3.7
|
13.6
|
1.0
|
|
C06
|
D:F52201
|
3.8
|
29.5
|
0.5
|
|
CB
|
D:LEU110
|
3.8
|
9.4
|
1.0
|
|
CG2
|
D:THR117
|
3.9
|
14.4
|
1.0
|
|
C13
|
D:F52201
|
4.0
|
19.2
|
0.5
|
|
C07
|
D:F52201
|
4.0
|
25.1
|
0.5
|
|
N
|
D:LEU110
|
4.1
|
7.8
|
1.0
|
|
CG2
|
D:THR119
|
4.1
|
15.9
|
1.0
|
|
CB
|
D:ALA108
|
4.1
|
14.3
|
1.0
|
|
C
|
D:ALA108
|
4.2
|
11.2
|
1.0
|
|
C08
|
D:F52201
|
4.2
|
23.6
|
0.5
|
|
O
|
D:ALA108
|
4.3
|
13.8
|
1.0
|
|
N
|
D:LEU109
|
4.3
|
12.3
|
1.0
|
|
C
|
D:THR117
|
4.3
|
13.1
|
1.0
|
|
C07
|
D:F52201
|
4.3
|
19.4
|
0.5
|
|
CB
|
D:THR117
|
4.4
|
12.1
|
1.0
|
|
CD2
|
B:LEU110
|
4.4
|
13.9
|
1.0
|
|
CL2
|
D:F52201
|
4.4
|
18.7
|
0.5
|
|
C
|
D:LEU109
|
4.4
|
8.2
|
1.0
|
|
C06
|
D:F52201
|
4.5
|
25.1
|
0.5
|
|
CA
|
D:LEU110
|
4.6
|
7.3
|
1.0
|
|
CA
|
D:LEU109
|
4.6
|
9.0
|
1.0
|
|
O05
|
D:F52201
|
4.6
|
24.0
|
0.5
|
|
N
|
D:THR119
|
4.6
|
12.9
|
1.0
|
|
CA
|
D:THR118
|
4.8
|
11.1
|
1.0
|
|
CB
|
D:THR119
|
4.8
|
18.0
|
1.0
|
|
CA
|
D:ALA108
|
4.8
|
12.5
|
1.0
|
|
N
|
D:THR118
|
4.8
|
11.0
|
1.0
|
|
C
|
D:THR118
|
4.9
|
15.6
|
1.0
|
|
CD2
|
D:LEU110
|
5.0
|
15.7
|
1.0
|
|
CG
|
D:LEU110
|
5.0
|
12.6
|
1.0
|
|
Chlorine binding site 10 out
of 12 in 6gnw
Go back to
Chlorine Binding Sites List in 6gnw
Chlorine binding site 10 out
of 12 in the Crystal Structure of Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T)
 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 Sea Bream Transthyretin in Complex with 2,4,5- Trichlorophenoxyacetic Acid (2,4,5-T) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl201
b:18.7
occ:0.53
|
CL2
|
D:F52201
|
0.0
|
18.7
|
0.5
|
|
C10
|
D:F52201
|
1.7
|
18.0
|
0.5
|
|
C12
|
D:F52201
|
2.7
|
22.4
|
0.5
|
|
C08
|
D:F52201
|
2.7
|
23.6
|
0.5
|
|
C12
|
D:F52201
|
2.8
|
22.3
|
0.5
|
|
C13
|
D:F52201
|
3.0
|
19.2
|
0.5
|
|
CL1
|
D:F52201
|
3.2
|
28.6
|
0.5
|
|
CL3
|
D:F52201
|
3.3
|
19.7
|
0.5
|
|
C10
|
D:F52201
|
3.5
|
18.3
|
0.5
|
|
C06
|
D:F52201
|
3.8
|
25.1
|
0.5
|
|
O
|
B:THR117
|
3.8
|
12.8
|
1.0
|
|
CB
|
B:ALA108
|
3.8
|
13.1
|
1.0
|
|
C
|
B:ALA108
|
3.9
|
10.9
|
1.0
|
|
CB
|
B:LEU110
|
4.0
|
9.6
|
1.0
|
|
CG2
|
B:THR119
|
4.0
|
15.9
|
1.0
|
|
O
|
B:ALA108
|
4.0
|
11.0
|
1.0
|
|
C13
|
D:F52201
|
4.0
|
17.2
|
0.5
|
|
C07
|
D:F52201
|
4.0
|
19.4
|
0.5
|
|
N
|
B:LEU110
|
4.0
|
8.3
|
1.0
|
|
N
|
B:LEU109
|
4.1
|
8.2
|
1.0
|
|
CG2
|
B:THR117
|
4.2
|
13.4
|
1.0
|
|
C08
|
D:F52201
|
4.2
|
23.1
|
0.5
|
|
C
|
B:LEU109
|
4.3
|
9.6
|
1.0
|
|
C07
|
D:F52201
|
4.3
|
25.1
|
0.5
|
|
C
|
B:THR117
|
4.4
|
13.7
|
1.0
|
|
CA
|
B:LEU109
|
4.4
|
6.8
|
1.0
|
|
CL2
|
D:F52201
|
4.4
|
21.2
|
0.5
|
|
N
|
B:THR119
|
4.5
|
9.6
|
1.0
|
|
O05
|
D:F52201
|
4.5
|
25.6
|
0.5
|
|
C06
|
D:F52201
|
4.5
|
29.5
|
0.5
|
|
CA
|
B:ALA108
|
4.5
|
10.1
|
1.0
|
|
CA
|
B:LEU110
|
4.6
|
9.9
|
1.0
|
|
CB
|
B:THR117
|
4.6
|
10.4
|
1.0
|
|
CA
|
B:THR118
|
4.7
|
12.9
|
1.0
|
|
CD2
|
D:LEU110
|
4.7
|
15.7
|
1.0
|
|
CB
|
B:THR119
|
4.7
|
13.9
|
1.0
|
|
C
|
B:THR118
|
4.8
|
15.7
|
1.0
|
|
N
|
B:THR118
|
4.9
|
12.1
|
1.0
|
|
O
|
B:LEU109
|
4.9
|
12.8
|
1.0
|
|
Reference:
J.Zhang,
C.Grundstrom,
K.Brannstrom,
I.Iakovleva,
M.Lindberg,
A.Olofsson,
P.L.Andersson,
A.E.Sauer-Eriksson.
Interspecies Variation Between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. Environ. Sci. Technol. V. 52 11865 2018.
ISSN: ISSN 1520-5851
PubMed: 30226982
DOI: 10.1021/ACS.EST.8B03581
Page generated: Sun Jul 28 00:03:21 2024
|
