Chlorine in PDB 2wyw: High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form
Enzymatic activity of High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form
All present enzymatic activity of High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form:
1.3.1.10;
Protein crystallography data
The structure of High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form, PDB code: 2wyw
was solved by
J.M.Otero,
A.J.Noel,
P.Guardado-Calvo,
A.L.Llamas-Saiz,
M.J.Van Raaij,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
27.93 /
1.90
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
57.710,
127.550,
66.500,
90.00,
108.20,
90.00
|
R / Rfree (%)
|
15.5 /
19.6
|
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Chlorine atom in the High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form
(pdb code 2wyw). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the
High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form, PDB code: 2wyw:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 12 in 2wyw
Go back to
Chlorine Binding Sites List in 2wyw
Chlorine binding site 1 out
of 12 in the High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1261
b:19.4
occ:1.00
|
CL14
|
A:TCL1261
|
0.0
|
19.4
|
1.0
|
C2
|
A:TCL1261
|
1.8
|
16.5
|
1.0
|
C1
|
A:TCL1261
|
2.7
|
14.7
|
1.0
|
C3
|
A:TCL1261
|
2.7
|
16.4
|
1.0
|
CE
|
A:MET207
|
3.5
|
30.8
|
1.0
|
O7N
|
A:NAD1260
|
3.6
|
15.6
|
1.0
|
CE1
|
A:TYR147
|
3.7
|
18.1
|
1.0
|
CD1
|
A:ILE201
|
3.8
|
30.9
|
1.0
|
CE1
|
A:PHE204
|
3.9
|
26.9
|
1.0
|
CZ
|
A:TYR147
|
3.9
|
18.9
|
1.0
|
C4N
|
A:NAD1260
|
3.9
|
10.8
|
1.0
|
C6
|
A:TCL1261
|
4.0
|
15.8
|
1.0
|
CA
|
A:PRO192
|
4.0
|
17.1
|
1.0
|
CD1
|
A:TYR147
|
4.0
|
18.3
|
1.0
|
C4
|
A:TCL1261
|
4.1
|
17.0
|
1.0
|
C7N
|
A:NAD1260
|
4.2
|
14.6
|
1.0
|
CE2
|
A:TYR147
|
4.3
|
16.9
|
1.0
|
CD1
|
A:PHE204
|
4.3
|
26.6
|
1.0
|
OH
|
A:TYR147
|
4.3
|
24.3
|
1.0
|
C3N
|
A:NAD1260
|
4.3
|
13.6
|
1.0
|
CB
|
A:PRO192
|
4.3
|
17.3
|
1.0
|
CG
|
A:PRO192
|
4.4
|
16.4
|
1.0
|
CG
|
A:TYR147
|
4.4
|
13.4
|
1.0
|
CD2
|
A:TYR147
|
4.5
|
16.6
|
1.0
|
C5
|
A:TCL1261
|
4.5
|
15.3
|
1.0
|
N
|
A:PRO192
|
4.6
|
16.3
|
1.0
|
C5N
|
A:NAD1260
|
4.8
|
11.5
|
1.0
|
CD
|
A:PRO192
|
4.9
|
16.9
|
1.0
|
|
Chlorine binding site 2 out
of 12 in 2wyw
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Chlorine Binding Sites List in 2wyw
Chlorine binding site 2 out
of 12 in the High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1261
b:25.7
occ:1.00
|
CL15
|
A:TCL1261
|
0.0
|
25.7
|
1.0
|
C11
|
A:TCL1261
|
1.8
|
22.7
|
1.0
|
C10
|
A:TCL1261
|
2.7
|
20.7
|
1.0
|
C12
|
A:TCL1261
|
2.8
|
20.9
|
1.0
|
N
|
A:ALA97
|
3.3
|
18.8
|
1.0
|
O
|
A:ALA97
|
3.3
|
20.0
|
1.0
|
O
|
A:HOH2100
|
3.7
|
34.9
|
1.0
|
CB
|
A:SER200
|
3.8
|
32.5
|
1.0
|
C9
|
A:TCL1261
|
4.0
|
19.9
|
1.0
|
CE
|
A:MET160
|
4.0
|
16.4
|
1.0
|
C13
|
A:TCL1261
|
4.0
|
20.4
|
1.0
|
CA
|
A:ALA97
|
4.1
|
19.3
|
1.0
|
C
|
A:PHE96
|
4.1
|
18.3
|
1.0
|
CA
|
A:PHE96
|
4.2
|
17.5
|
1.0
|
C
|
A:ALA97
|
4.2
|
19.8
|
1.0
|
CB
|
A:ALA97
|
4.2
|
19.0
|
1.0
|
OG
|
A:SER200
|
4.3
|
33.0
|
1.0
|
CG
|
A:MET102
|
4.4
|
22.9
|
1.0
|
C8
|
A:TCL1261
|
4.5
|
18.4
|
1.0
|
CD1
|
A:PHE96
|
4.5
|
21.7
|
1.0
|
SD
|
A:MET102
|
4.8
|
20.2
|
1.0
|
O
|
A:SER200
|
4.9
|
32.2
|
1.0
|
CE
|
A:MET102
|
4.9
|
21.7
|
1.0
|
N
|
A:PHE96
|
5.0
|
16.9
|
1.0
|
|
Chlorine binding site 3 out
of 12 in 2wyw
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Chlorine Binding Sites List in 2wyw
Chlorine binding site 3 out
of 12 in the High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1261
b:19.8
occ:1.00
|
CL16
|
A:TCL1261
|
0.0
|
19.8
|
1.0
|
C9
|
A:TCL1261
|
1.8
|
19.9
|
1.0
|
C10
|
A:TCL1261
|
2.7
|
20.7
|
1.0
|
C8
|
A:TCL1261
|
2.8
|
18.4
|
1.0
|
O7
|
A:TCL1261
|
2.9
|
16.9
|
1.0
|
CB
|
A:ALA197
|
3.3
|
25.8
|
1.0
|
O
|
A:ALA95
|
3.4
|
16.3
|
1.0
|
O5D
|
A:NAD1260
|
3.5
|
13.9
|
1.0
|
CB
|
A:ALA95
|
3.6
|
13.9
|
1.0
|
C3D
|
A:NAD1260
|
3.7
|
14.5
|
1.0
|
C2D
|
A:NAD1260
|
3.7
|
15.7
|
1.0
|
C5B
|
A:NAD1260
|
3.7
|
15.3
|
1.0
|
O2D
|
A:NAD1260
|
3.9
|
14.9
|
1.0
|
C
|
A:ALA95
|
4.0
|
15.5
|
1.0
|
C11
|
A:TCL1261
|
4.0
|
22.7
|
1.0
|
O
|
A:HOH2099
|
4.1
|
22.0
|
1.0
|
O3
|
A:NAD1260
|
4.1
|
14.4
|
1.0
|
C13
|
A:TCL1261
|
4.1
|
20.4
|
1.0
|
CA
|
A:ALA95
|
4.2
|
14.7
|
1.0
|
N
|
A:ALA95
|
4.2
|
14.8
|
1.0
|
C5
|
A:TCL1261
|
4.3
|
15.3
|
1.0
|
C5D
|
A:NAD1260
|
4.4
|
15.4
|
1.0
|
PN
|
A:NAD1260
|
4.5
|
13.4
|
1.0
|
C12
|
A:TCL1261
|
4.6
|
20.9
|
1.0
|
O5B
|
A:NAD1260
|
4.6
|
16.2
|
1.0
|
C4D
|
A:NAD1260
|
4.6
|
15.5
|
1.0
|
O3D
|
A:NAD1260
|
4.6
|
16.6
|
1.0
|
O1A
|
A:NAD1260
|
4.7
|
16.9
|
1.0
|
CA
|
A:ALA197
|
4.7
|
25.4
|
1.0
|
O1N
|
A:NAD1260
|
4.8
|
16.1
|
1.0
|
PA
|
A:NAD1260
|
4.8
|
15.7
|
1.0
|
O4B
|
A:NAD1260
|
4.8
|
17.6
|
1.0
|
O
|
A:HOH2200
|
4.9
|
31.1
|
1.0
|
C4B
|
A:NAD1260
|
4.9
|
15.8
|
1.0
|
O17
|
A:TCL1261
|
5.0
|
15.2
|
1.0
|
|
Chlorine binding site 4 out
of 12 in 2wyw
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Chlorine Binding Sites List in 2wyw
Chlorine binding site 4 out
of 12 in the High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1260
b:19.9
occ:1.00
|
CL14
|
B:TCL1260
|
0.0
|
19.9
|
1.0
|
C2
|
B:TCL1260
|
1.7
|
18.2
|
1.0
|
C1
|
B:TCL1260
|
2.7
|
18.4
|
1.0
|
C3
|
B:TCL1260
|
2.7
|
17.6
|
1.0
|
O7N
|
B:NAD1259
|
3.6
|
16.3
|
1.0
|
CE
|
B:MET207
|
3.7
|
20.6
|
1.0
|
CD1
|
B:ILE201
|
3.8
|
28.0
|
1.0
|
C6
|
B:TCL1260
|
3.9
|
16.2
|
1.0
|
CA
|
B:PRO192
|
4.0
|
18.1
|
1.0
|
C4N
|
B:NAD1259
|
4.0
|
15.3
|
1.0
|
C4
|
B:TCL1260
|
4.0
|
17.6
|
1.0
|
CE1
|
B:TYR147
|
4.1
|
13.9
|
1.0
|
CE1
|
B:PHE204
|
4.1
|
22.1
|
1.0
|
CB
|
B:PRO192
|
4.1
|
18.1
|
1.0
|
CG
|
B:PRO192
|
4.2
|
18.4
|
1.0
|
CZ
|
B:TYR147
|
4.2
|
17.5
|
1.0
|
C7N
|
B:NAD1259
|
4.2
|
15.0
|
1.0
|
CD1
|
B:PHE204
|
4.3
|
22.5
|
1.0
|
CD1
|
B:TYR147
|
4.3
|
13.4
|
1.0
|
C3N
|
B:NAD1259
|
4.4
|
15.2
|
1.0
|
CE2
|
B:TYR147
|
4.5
|
15.2
|
1.0
|
C5
|
B:TCL1260
|
4.5
|
16.4
|
1.0
|
N
|
B:PRO192
|
4.5
|
17.4
|
1.0
|
CG
|
B:TYR147
|
4.6
|
14.6
|
1.0
|
CD2
|
B:TYR147
|
4.6
|
14.4
|
1.0
|
OH
|
B:TYR147
|
4.7
|
19.4
|
1.0
|
C5N
|
B:NAD1259
|
4.8
|
14.3
|
1.0
|
CD
|
B:PRO192
|
4.9
|
17.5
|
1.0
|
CE1
|
B:TYR157
|
4.9
|
19.2
|
1.0
|
|
Chlorine binding site 5 out
of 12 in 2wyw
Go back to
Chlorine Binding Sites List in 2wyw
Chlorine binding site 5 out
of 12 in the High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1260
b:24.8
occ:1.00
|
CL15
|
B:TCL1260
|
0.0
|
24.8
|
1.0
|
C11
|
B:TCL1260
|
1.8
|
22.8
|
1.0
|
C10
|
B:TCL1260
|
2.7
|
21.7
|
1.0
|
C12
|
B:TCL1260
|
2.8
|
22.0
|
1.0
|
N
|
B:ALA97
|
3.3
|
19.1
|
1.0
|
O
|
B:ALA97
|
3.4
|
20.1
|
1.0
|
O
|
B:HOH2076
|
3.6
|
36.4
|
1.0
|
CB
|
B:SER200
|
3.9
|
30.3
|
1.0
|
C9
|
B:TCL1260
|
4.0
|
20.9
|
1.0
|
C13
|
B:TCL1260
|
4.0
|
20.4
|
1.0
|
CA
|
B:PHE96
|
4.1
|
18.1
|
1.0
|
C
|
B:PHE96
|
4.1
|
18.6
|
1.0
|
CE
|
B:MET160
|
4.1
|
17.8
|
1.0
|
CA
|
B:ALA97
|
4.2
|
19.0
|
1.0
|
C
|
B:ALA97
|
4.2
|
19.5
|
1.0
|
CD1
|
B:PHE96
|
4.3
|
20.6
|
1.0
|
OG
|
B:SER200
|
4.4
|
32.1
|
1.0
|
CB
|
B:ALA97
|
4.4
|
18.1
|
1.0
|
C8
|
B:TCL1260
|
4.5
|
20.1
|
1.0
|
CG
|
B:MET102
|
4.6
|
21.9
|
1.0
|
CE1
|
B:PHE96
|
4.8
|
21.5
|
1.0
|
O
|
B:HOH2075
|
4.8
|
24.2
|
1.0
|
CG
|
B:PHE96
|
4.9
|
19.1
|
1.0
|
N
|
B:PHE96
|
4.9
|
17.4
|
1.0
|
O
|
B:HOH2127
|
5.0
|
29.1
|
1.0
|
|
Chlorine binding site 6 out
of 12 in 2wyw
Go back to
Chlorine Binding Sites List in 2wyw
Chlorine binding site 6 out
of 12 in the High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1260
b:21.9
occ:1.00
|
CL16
|
B:TCL1260
|
0.0
|
21.9
|
1.0
|
C9
|
B:TCL1260
|
1.8
|
20.9
|
1.0
|
C10
|
B:TCL1260
|
2.7
|
21.7
|
1.0
|
C8
|
B:TCL1260
|
2.8
|
20.1
|
1.0
|
O7
|
B:TCL1260
|
3.0
|
16.5
|
1.0
|
CB
|
B:ALA197
|
3.2
|
30.1
|
1.0
|
O5D
|
B:NAD1259
|
3.5
|
16.9
|
1.0
|
CB
|
B:ALA95
|
3.6
|
15.4
|
1.0
|
C5B
|
B:NAD1259
|
3.6
|
18.4
|
1.0
|
O
|
B:ALA95
|
3.6
|
16.1
|
1.0
|
C2D
|
B:NAD1259
|
3.7
|
15.7
|
1.0
|
C3D
|
B:NAD1259
|
3.7
|
16.1
|
1.0
|
O
|
B:HOH2075
|
3.9
|
24.2
|
1.0
|
O2D
|
B:NAD1259
|
4.0
|
16.7
|
1.0
|
C11
|
B:TCL1260
|
4.0
|
22.8
|
1.0
|
O3
|
B:NAD1259
|
4.0
|
17.0
|
1.0
|
C
|
B:ALA95
|
4.1
|
17.0
|
1.0
|
N
|
B:ALA95
|
4.1
|
16.5
|
1.0
|
C13
|
B:TCL1260
|
4.1
|
20.4
|
1.0
|
CA
|
B:ALA95
|
4.1
|
16.3
|
1.0
|
C5
|
B:TCL1260
|
4.3
|
16.4
|
1.0
|
O5B
|
B:NAD1259
|
4.4
|
18.5
|
1.0
|
PN
|
B:NAD1259
|
4.4
|
15.7
|
1.0
|
C5D
|
B:NAD1259
|
4.5
|
18.3
|
1.0
|
C12
|
B:TCL1260
|
4.6
|
22.0
|
1.0
|
O1A
|
B:NAD1259
|
4.6
|
19.4
|
1.0
|
CA
|
B:ALA197
|
4.6
|
29.8
|
1.0
|
C4D
|
B:NAD1259
|
4.6
|
15.4
|
1.0
|
O1N
|
B:NAD1259
|
4.6
|
17.1
|
1.0
|
PA
|
B:NAD1259
|
4.7
|
19.0
|
1.0
|
O3D
|
B:NAD1259
|
4.7
|
16.2
|
1.0
|
O4B
|
B:NAD1259
|
4.8
|
19.5
|
1.0
|
C4B
|
B:NAD1259
|
4.8
|
19.6
|
1.0
|
O
|
B:HOH2162
|
4.9
|
26.2
|
1.0
|
O17
|
B:TCL1260
|
5.0
|
16.5
|
1.0
|
|
Chlorine binding site 7 out
of 12 in 2wyw
Go back to
Chlorine Binding Sites List in 2wyw
Chlorine binding site 7 out
of 12 in the High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl1260
b:18.4
occ:1.00
|
CL14
|
C:TCL1260
|
0.0
|
18.4
|
1.0
|
C2
|
C:TCL1260
|
1.8
|
18.7
|
1.0
|
C1
|
C:TCL1260
|
2.7
|
18.3
|
1.0
|
C3
|
C:TCL1260
|
2.7
|
19.4
|
1.0
|
O7N
|
C:NAD1259
|
3.4
|
15.4
|
1.0
|
CE1
|
C:TYR147
|
3.7
|
17.8
|
1.0
|
CD1
|
C:ILE201
|
3.8
|
26.0
|
1.0
|
CZ
|
C:TYR147
|
3.8
|
19.1
|
1.0
|
CE1
|
C:PHE204
|
3.9
|
26.1
|
1.0
|
C4N
|
C:NAD1259
|
3.9
|
16.2
|
1.0
|
C6
|
C:TCL1260
|
4.0
|
18.5
|
1.0
|
C4
|
C:TCL1260
|
4.0
|
18.3
|
1.0
|
CD1
|
C:TYR147
|
4.0
|
18.5
|
1.0
|
CA
|
C:PRO192
|
4.0
|
16.0
|
1.0
|
CE2
|
C:TYR147
|
4.2
|
19.7
|
1.0
|
C7N
|
C:NAD1259
|
4.2
|
16.7
|
1.0
|
CG
|
C:PRO192
|
4.2
|
15.5
|
1.0
|
CB
|
C:PRO192
|
4.3
|
16.9
|
1.0
|
C3N
|
C:NAD1259
|
4.3
|
15.1
|
1.0
|
OH
|
C:TYR147
|
4.3
|
21.1
|
1.0
|
CD1
|
C:PHE204
|
4.4
|
26.7
|
1.0
|
CG
|
C:TYR147
|
4.4
|
16.5
|
1.0
|
CD2
|
C:TYR147
|
4.4
|
17.4
|
1.0
|
C5
|
C:TCL1260
|
4.5
|
18.4
|
1.0
|
N
|
C:PRO192
|
4.5
|
16.0
|
1.0
|
CE
|
C:MET207
|
4.6
|
35.1
|
1.0
|
C5N
|
C:NAD1259
|
4.7
|
15.6
|
1.0
|
CD
|
C:PRO192
|
4.9
|
15.9
|
1.0
|
CE1
|
C:TYR157
|
4.9
|
16.6
|
1.0
|
|
Chlorine binding site 8 out
of 12 in 2wyw
Go back to
Chlorine Binding Sites List in 2wyw
Chlorine binding site 8 out
of 12 in the High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl1260
b:25.7
occ:1.00
|
CL15
|
C:TCL1260
|
0.0
|
25.7
|
1.0
|
C11
|
C:TCL1260
|
1.8
|
23.9
|
1.0
|
C10
|
C:TCL1260
|
2.7
|
23.3
|
1.0
|
C12
|
C:TCL1260
|
2.7
|
22.5
|
1.0
|
N
|
C:ALA97
|
3.3
|
19.0
|
1.0
|
O
|
C:ALA97
|
3.4
|
21.1
|
1.0
|
CB
|
C:SER200
|
3.5
|
26.1
|
1.0
|
O
|
C:HOH2088
|
3.6
|
31.5
|
1.0
|
OG
|
C:SER200
|
3.9
|
25.8
|
1.0
|
C9
|
C:TCL1260
|
4.0
|
22.8
|
1.0
|
C13
|
C:TCL1260
|
4.0
|
22.3
|
1.0
|
CE
|
C:MET160
|
4.1
|
17.7
|
1.0
|
C
|
C:PHE96
|
4.1
|
18.5
|
1.0
|
CA
|
C:PHE96
|
4.2
|
18.2
|
1.0
|
CA
|
C:ALA97
|
4.2
|
20.0
|
1.0
|
C
|
C:ALA97
|
4.2
|
20.9
|
1.0
|
CB
|
C:ALA97
|
4.2
|
18.9
|
1.0
|
CG
|
C:MET102
|
4.3
|
25.5
|
1.0
|
CD1
|
C:PHE96
|
4.5
|
21.2
|
1.0
|
C8
|
C:TCL1260
|
4.5
|
21.1
|
1.0
|
O
|
C:SER200
|
4.8
|
27.1
|
1.0
|
SD
|
C:MET102
|
4.8
|
22.5
|
1.0
|
CA
|
C:SER200
|
4.9
|
26.6
|
1.0
|
CE
|
C:MET102
|
4.9
|
20.4
|
1.0
|
|
Chlorine binding site 9 out
of 12 in 2wyw
Go back to
Chlorine Binding Sites List in 2wyw
Chlorine binding site 9 out
of 12 in the High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl1260
b:24.4
occ:1.00
|
CL16
|
C:TCL1260
|
0.0
|
24.4
|
1.0
|
C9
|
C:TCL1260
|
1.8
|
22.8
|
1.0
|
C8
|
C:TCL1260
|
2.8
|
21.1
|
1.0
|
C10
|
C:TCL1260
|
2.8
|
23.3
|
1.0
|
O7
|
C:TCL1260
|
2.9
|
19.6
|
1.0
|
CB
|
C:ALA197
|
3.2
|
24.6
|
1.0
|
O
|
C:ALA95
|
3.6
|
18.6
|
1.0
|
O5D
|
C:NAD1259
|
3.6
|
16.2
|
1.0
|
C2D
|
C:NAD1259
|
3.6
|
16.8
|
1.0
|
C3D
|
C:NAD1259
|
3.7
|
16.4
|
1.0
|
C5B
|
C:NAD1259
|
3.7
|
17.0
|
1.0
|
CB
|
C:ALA95
|
3.7
|
17.0
|
1.0
|
O2D
|
C:NAD1259
|
3.9
|
14.2
|
1.0
|
O
|
C:HOH2087
|
3.9
|
21.7
|
1.0
|
C11
|
C:TCL1260
|
4.0
|
23.9
|
1.0
|
C
|
C:ALA95
|
4.1
|
17.9
|
1.0
|
C13
|
C:TCL1260
|
4.1
|
22.3
|
1.0
|
O3
|
C:NAD1259
|
4.1
|
16.9
|
1.0
|
C5
|
C:TCL1260
|
4.2
|
18.4
|
1.0
|
N
|
C:ALA95
|
4.2
|
17.0
|
1.0
|
CA
|
C:ALA95
|
4.2
|
17.8
|
1.0
|
C5D
|
C:NAD1259
|
4.5
|
14.9
|
1.0
|
PN
|
C:NAD1259
|
4.5
|
15.4
|
1.0
|
O5B
|
C:NAD1259
|
4.6
|
15.5
|
1.0
|
C12
|
C:TCL1260
|
4.6
|
22.5
|
1.0
|
O3D
|
C:NAD1259
|
4.6
|
17.3
|
1.0
|
CA
|
C:ALA197
|
4.6
|
25.0
|
1.0
|
C4D
|
C:NAD1259
|
4.7
|
16.2
|
1.0
|
O1N
|
C:NAD1259
|
4.7
|
16.9
|
1.0
|
O1A
|
C:NAD1259
|
4.7
|
17.2
|
1.0
|
PA
|
C:NAD1259
|
4.8
|
14.9
|
1.0
|
O4B
|
C:NAD1259
|
4.8
|
19.3
|
1.0
|
C4B
|
C:NAD1259
|
4.9
|
17.5
|
1.0
|
O17
|
C:TCL1260
|
5.0
|
17.3
|
1.0
|
C4
|
C:TCL1260
|
5.0
|
18.3
|
1.0
|
|
Chlorine binding site 10 out
of 12 in 2wyw
Go back to
Chlorine Binding Sites List in 2wyw
Chlorine binding site 10 out
of 12 in the High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of High Resolution Structure of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase Nad and Triclosan-Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl1260
b:19.7
occ:1.00
|
CL14
|
D:TCL1260
|
0.0
|
19.7
|
1.0
|
C2
|
D:TCL1260
|
1.8
|
18.6
|
1.0
|
C1
|
D:TCL1260
|
2.7
|
16.6
|
1.0
|
C3
|
D:TCL1260
|
2.7
|
19.2
|
1.0
|
O7N
|
D:NAD1259
|
3.4
|
19.2
|
1.0
|
CE1
|
D:TYR147
|
3.7
|
18.7
|
1.0
|
CE1
|
D:PHE204
|
3.7
|
23.4
|
1.0
|
C4N
|
D:NAD1259
|
3.8
|
16.7
|
1.0
|
CD1
|
D:ILE201
|
3.9
|
24.0
|
1.0
|
CZ
|
D:TYR147
|
3.9
|
19.9
|
1.0
|
CD1
|
D:TYR147
|
3.9
|
18.2
|
1.0
|
C6
|
D:TCL1260
|
4.0
|
17.9
|
1.0
|
C4
|
D:TCL1260
|
4.0
|
20.2
|
1.0
|
CA
|
D:PRO192
|
4.1
|
19.3
|
1.0
|
C7N
|
D:NAD1259
|
4.1
|
18.3
|
1.0
|
C3N
|
D:NAD1259
|
4.1
|
18.5
|
1.0
|
CG
|
D:PRO192
|
4.2
|
18.9
|
1.0
|
CD1
|
D:PHE204
|
4.2
|
24.4
|
1.0
|
CE2
|
D:TYR147
|
4.4
|
19.4
|
1.0
|
CG
|
D:TYR147
|
4.4
|
15.7
|
1.0
|
CB
|
D:PRO192
|
4.4
|
19.6
|
1.0
|
OH
|
D:TYR147
|
4.4
|
23.3
|
1.0
|
N
|
D:PRO192
|
4.5
|
17.7
|
1.0
|
C5
|
D:TCL1260
|
4.5
|
18.5
|
1.0
|
CD2
|
D:TYR147
|
4.6
|
17.6
|
1.0
|
C5N
|
D:NAD1259
|
4.6
|
16.2
|
1.0
|
CD
|
D:PRO192
|
4.8
|
17.9
|
1.0
|
CZ
|
D:PHE204
|
4.8
|
23.0
|
1.0
|
|
Reference:
J.M.Otero,
A.J.Noel,
P.Guardado-Calvo,
A.L.Llamas-Saiz,
W.Wende,
B.Schierling,
A.Pingoud,
M.J.Van Raaij.
High-Resolution Structures of Thermus Thermophilus Enoyl-Acyl Carrier Protein Reductase in the Apo Form, in Complex with Nad+ and in Complex with Nad+ and Triclosan. Acta Crystallogr. Sect. F V. 68 1139 2012STRUCT. Biol. Cryst. Commun..
ISSN: ESSN 1744-3091
PubMed: 23027736
DOI: 10.1107/S1744309112033982
Page generated: Sat Jul 20 13:23:48 2024
|