Chlorine in PDB 4d43: Crystal Structure of S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol
Enzymatic activity of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol
All present enzymatic activity of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol:
1.3.1.10;
Protein crystallography data
The structure of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol, PDB code: 4d43
was solved by
J.Schiebel,
A.Chang,
P.J.Tonge,
C.A.Sotriffer,
C.Kisker,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
40.68 /
2.15
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
89.180,
94.880,
94.900,
98.45,
111.49,
97.30
|
R / Rfree (%)
|
17.041 /
23.031
|
Other elements in 4d43:
The structure of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol
(pdb code 4d43). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the
Crystal Structure of S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol, PDB code: 4d43:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Chlorine binding site 1 out
of 8 in 4d43
Go back to
Chlorine Binding Sites List in 4d43
Chlorine binding site 1 out
of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol
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 S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1259
b:23.8
occ:1.00
|
CL
|
A:9W71259
|
0.0
|
23.8
|
1.0
|
C11
|
A:9W71259
|
1.7
|
22.9
|
1.0
|
C10
|
A:9W71259
|
2.7
|
22.2
|
1.0
|
C6
|
A:9W71259
|
2.7
|
18.1
|
1.0
|
O1
|
A:9W71259
|
2.9
|
20.8
|
1.0
|
OG
|
A:SER197
|
3.3
|
18.7
|
1.0
|
CB
|
A:SER197
|
3.3
|
18.5
|
1.0
|
O5D
|
A:NAP1258
|
3.4
|
20.6
|
1.0
|
C2D
|
A:NAP1258
|
3.5
|
17.1
|
1.0
|
C3D
|
A:NAP1258
|
3.5
|
20.4
|
1.0
|
O
|
A:ALA95
|
3.6
|
13.8
|
1.0
|
C5B
|
A:NAP1258
|
3.7
|
25.4
|
1.0
|
O2D
|
A:NAP1258
|
3.9
|
13.3
|
1.0
|
CB
|
A:ALA95
|
3.9
|
11.1
|
1.0
|
C9
|
A:9W71259
|
4.0
|
23.2
|
1.0
|
C7
|
A:9W71259
|
4.0
|
21.8
|
1.0
|
O3
|
A:NAP1258
|
4.0
|
20.8
|
1.0
|
C
|
A:ALA95
|
4.0
|
13.5
|
1.0
|
N
|
A:ALA95
|
4.1
|
11.7
|
1.0
|
CA
|
A:ALA95
|
4.2
|
12.9
|
1.0
|
C5D
|
A:NAP1258
|
4.2
|
19.4
|
1.0
|
C5
|
A:9W71259
|
4.3
|
15.8
|
1.0
|
PN
|
A:NAP1258
|
4.4
|
17.9
|
1.0
|
C4D
|
A:NAP1258
|
4.5
|
19.5
|
1.0
|
C8
|
A:9W71259
|
4.5
|
21.4
|
1.0
|
O5B
|
A:NAP1258
|
4.5
|
23.7
|
1.0
|
O3D
|
A:NAP1258
|
4.6
|
18.1
|
1.0
|
O1N
|
A:NAP1258
|
4.7
|
16.2
|
1.0
|
PA
|
A:NAP1258
|
4.7
|
23.6
|
1.0
|
O2A
|
A:NAP1258
|
4.8
|
23.7
|
1.0
|
O4B
|
A:NAP1258
|
4.8
|
20.9
|
1.0
|
CA
|
A:SER197
|
4.9
|
20.5
|
1.0
|
C1D
|
A:NAP1258
|
4.9
|
17.2
|
1.0
|
C4B
|
A:NAP1258
|
4.9
|
24.1
|
1.0
|
N
|
A:PHE96
|
5.0
|
14.3
|
1.0
|
|
Chlorine binding site 2 out
of 8 in 4d43
Go back to
Chlorine Binding Sites List in 4d43
Chlorine binding site 2 out
of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol
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 S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1259
b:22.2
occ:1.00
|
CL
|
B:9W71259
|
0.0
|
22.2
|
1.0
|
C11
|
B:9W71259
|
1.7
|
23.5
|
1.0
|
C10
|
B:9W71259
|
2.7
|
26.6
|
1.0
|
C6
|
B:9W71259
|
2.7
|
19.6
|
1.0
|
O1
|
B:9W71259
|
2.9
|
20.9
|
1.0
|
O
|
B:ALA95
|
3.4
|
11.9
|
1.0
|
CB
|
B:SER197
|
3.4
|
19.3
|
1.0
|
OG
|
B:SER197
|
3.4
|
18.2
|
1.0
|
O5D
|
B:NAP1258
|
3.4
|
22.5
|
1.0
|
C2D
|
B:NAP1258
|
3.5
|
15.1
|
1.0
|
C3D
|
B:NAP1258
|
3.6
|
21.0
|
1.0
|
O
|
B:HOH2128
|
3.6
|
20.6
|
1.0
|
O2D
|
B:NAP1258
|
3.7
|
15.9
|
1.0
|
C5B
|
B:NAP1258
|
3.9
|
23.7
|
1.0
|
C9
|
B:9W71259
|
3.9
|
25.3
|
1.0
|
C7
|
B:9W71259
|
4.0
|
21.8
|
1.0
|
CB
|
B:ALA95
|
4.0
|
11.2
|
1.0
|
C
|
B:ALA95
|
4.0
|
13.6
|
1.0
|
O3
|
B:NAP1258
|
4.2
|
21.2
|
1.0
|
N
|
B:ALA95
|
4.2
|
14.0
|
1.0
|
C5
|
B:9W71259
|
4.3
|
18.9
|
1.0
|
CA
|
B:ALA95
|
4.3
|
12.4
|
1.0
|
C5D
|
B:NAP1258
|
4.4
|
20.2
|
1.0
|
PN
|
B:NAP1258
|
4.4
|
18.0
|
1.0
|
C8
|
B:9W71259
|
4.5
|
21.9
|
1.0
|
C4D
|
B:NAP1258
|
4.5
|
22.9
|
1.0
|
O1N
|
B:NAP1258
|
4.6
|
20.4
|
1.0
|
O3D
|
B:NAP1258
|
4.6
|
20.9
|
1.0
|
O5B
|
B:NAP1258
|
4.7
|
24.1
|
1.0
|
O2A
|
B:NAP1258
|
4.8
|
24.4
|
1.0
|
PA
|
B:NAP1258
|
4.9
|
22.3
|
1.0
|
N
|
B:PHE96
|
4.9
|
12.5
|
1.0
|
C1D
|
B:NAP1258
|
4.9
|
14.2
|
1.0
|
CA
|
B:SER197
|
4.9
|
17.5
|
1.0
|
O4B
|
B:NAP1258
|
5.0
|
22.3
|
1.0
|
|
Chlorine binding site 3 out
of 8 in 4d43
Go back to
Chlorine Binding Sites List in 4d43
Chlorine binding site 3 out
of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol
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 S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl1259
b:27.4
occ:1.00
|
CL
|
C:9W71259
|
0.0
|
27.4
|
1.0
|
C11
|
C:9W71259
|
1.7
|
25.8
|
1.0
|
C10
|
C:9W71259
|
2.7
|
30.4
|
1.0
|
C6
|
C:9W71259
|
2.7
|
24.4
|
1.0
|
O1
|
C:9W71259
|
2.9
|
20.2
|
1.0
|
CB
|
C:SER197
|
3.3
|
22.6
|
1.0
|
OG
|
C:SER197
|
3.4
|
23.1
|
1.0
|
O5D
|
C:NAP1258
|
3.4
|
17.6
|
1.0
|
C2D
|
C:NAP1258
|
3.5
|
19.3
|
1.0
|
C3D
|
C:NAP1258
|
3.6
|
20.9
|
1.0
|
O
|
C:ALA95
|
3.6
|
17.3
|
1.0
|
O
|
C:HOH2118
|
3.8
|
17.8
|
1.0
|
C5B
|
C:NAP1258
|
3.8
|
23.6
|
1.0
|
O2D
|
C:NAP1258
|
3.8
|
22.4
|
1.0
|
C9
|
C:9W71259
|
3.9
|
31.1
|
1.0
|
CB
|
C:ALA95
|
4.0
|
15.2
|
1.0
|
C7
|
C:9W71259
|
4.0
|
20.4
|
1.0
|
O3
|
C:NAP1258
|
4.0
|
23.8
|
1.0
|
C
|
C:ALA95
|
4.2
|
18.6
|
1.0
|
C5D
|
C:NAP1258
|
4.3
|
13.9
|
1.0
|
C5
|
C:9W71259
|
4.3
|
20.2
|
1.0
|
PN
|
C:NAP1258
|
4.3
|
19.9
|
1.0
|
N
|
C:ALA95
|
4.4
|
19.0
|
1.0
|
CA
|
C:ALA95
|
4.4
|
15.2
|
1.0
|
C8
|
C:9W71259
|
4.5
|
27.2
|
1.0
|
C4D
|
C:NAP1258
|
4.5
|
17.4
|
1.0
|
O1N
|
C:NAP1258
|
4.6
|
17.1
|
1.0
|
O5B
|
C:NAP1258
|
4.6
|
27.4
|
1.0
|
O3D
|
C:NAP1258
|
4.7
|
20.8
|
1.0
|
O2A
|
C:NAP1258
|
4.7
|
22.6
|
1.0
|
PA
|
C:NAP1258
|
4.8
|
23.2
|
1.0
|
CA
|
C:SER197
|
4.8
|
24.2
|
1.0
|
C1D
|
C:NAP1258
|
4.9
|
17.6
|
1.0
|
O4B
|
C:NAP1258
|
4.9
|
20.0
|
1.0
|
|
Chlorine binding site 4 out
of 8 in 4d43
Go back to
Chlorine Binding Sites List in 4d43
Chlorine binding site 4 out
of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol
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 S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl1258
b:34.1
occ:1.00
|
CL
|
D:9W71258
|
0.0
|
34.1
|
1.0
|
C11
|
D:9W71258
|
1.7
|
27.4
|
1.0
|
C10
|
D:9W71258
|
2.7
|
29.3
|
1.0
|
C6
|
D:9W71258
|
2.7
|
22.2
|
1.0
|
O1
|
D:9W71258
|
2.9
|
20.2
|
1.0
|
OG
|
D:SER197
|
3.3
|
29.7
|
1.0
|
CB
|
D:SER197
|
3.4
|
23.9
|
1.0
|
O5D
|
D:NAP1257
|
3.4
|
25.3
|
1.0
|
C2D
|
D:NAP1257
|
3.5
|
16.1
|
1.0
|
C3D
|
D:NAP1257
|
3.6
|
18.0
|
1.0
|
O
|
D:ALA95
|
3.7
|
17.2
|
1.0
|
CB
|
D:ALA95
|
3.8
|
16.1
|
1.0
|
C5B
|
D:NAP1257
|
3.8
|
23.2
|
1.0
|
O2D
|
D:NAP1257
|
3.8
|
18.2
|
1.0
|
O3
|
D:NAP1257
|
3.9
|
27.5
|
1.0
|
O
|
D:HOH2070
|
3.9
|
13.8
|
1.0
|
C9
|
D:9W71258
|
4.0
|
29.7
|
1.0
|
C7
|
D:9W71258
|
4.0
|
24.5
|
1.0
|
C
|
D:ALA95
|
4.2
|
17.0
|
1.0
|
C5D
|
D:NAP1257
|
4.3
|
20.1
|
1.0
|
C5
|
D:9W71258
|
4.3
|
20.3
|
1.0
|
N
|
D:ALA95
|
4.3
|
16.6
|
1.0
|
CA
|
D:ALA95
|
4.3
|
16.5
|
1.0
|
PN
|
D:NAP1257
|
4.3
|
21.2
|
1.0
|
C4D
|
D:NAP1257
|
4.5
|
23.6
|
1.0
|
C8
|
D:9W71258
|
4.5
|
26.2
|
1.0
|
O1N
|
D:NAP1257
|
4.6
|
20.2
|
1.0
|
O3D
|
D:NAP1257
|
4.6
|
19.5
|
1.0
|
O5B
|
D:NAP1257
|
4.7
|
28.5
|
1.0
|
PA
|
D:NAP1257
|
4.8
|
25.6
|
1.0
|
O2A
|
D:NAP1257
|
4.8
|
26.1
|
1.0
|
CA
|
D:SER197
|
4.9
|
24.0
|
1.0
|
C1D
|
D:NAP1257
|
4.9
|
20.9
|
1.0
|
|
Chlorine binding site 5 out
of 8 in 4d43
Go back to
Chlorine Binding Sites List in 4d43
Chlorine binding site 5 out
of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol
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 S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl1259
b:29.9
occ:1.00
|
CL
|
E:9W71259
|
0.0
|
29.9
|
1.0
|
C11
|
E:9W71259
|
1.7
|
23.4
|
1.0
|
C10
|
E:9W71259
|
2.7
|
25.9
|
1.0
|
C6
|
E:9W71259
|
2.7
|
22.9
|
1.0
|
O1
|
E:9W71259
|
2.9
|
21.5
|
1.0
|
OG
|
E:SER197
|
3.3
|
26.0
|
1.0
|
CB
|
E:SER197
|
3.4
|
21.8
|
1.0
|
O5D
|
E:NAP1258
|
3.4
|
22.3
|
1.0
|
C2D
|
E:NAP1258
|
3.5
|
16.2
|
1.0
|
O
|
E:ALA95
|
3.5
|
14.3
|
1.0
|
C3D
|
E:NAP1258
|
3.7
|
21.6
|
1.0
|
O
|
E:HOH2072
|
3.8
|
17.4
|
1.0
|
O2D
|
E:NAP1258
|
3.8
|
12.3
|
1.0
|
CB
|
E:ALA95
|
3.8
|
13.9
|
1.0
|
C5B
|
E:NAP1258
|
3.8
|
21.8
|
1.0
|
C9
|
E:9W71259
|
4.0
|
27.8
|
1.0
|
C7
|
E:9W71259
|
4.0
|
23.0
|
1.0
|
C
|
E:ALA95
|
4.0
|
14.5
|
1.0
|
O3
|
E:NAP1258
|
4.1
|
23.6
|
1.0
|
N
|
E:ALA95
|
4.2
|
14.5
|
1.0
|
CA
|
E:ALA95
|
4.2
|
14.7
|
1.0
|
C5
|
E:9W71259
|
4.2
|
19.2
|
1.0
|
C5D
|
E:NAP1258
|
4.3
|
19.7
|
1.0
|
PN
|
E:NAP1258
|
4.4
|
20.3
|
1.0
|
C8
|
E:9W71259
|
4.5
|
23.9
|
1.0
|
C4D
|
E:NAP1258
|
4.5
|
25.3
|
1.0
|
O1N
|
E:NAP1258
|
4.7
|
23.4
|
1.0
|
O5B
|
E:NAP1258
|
4.7
|
24.6
|
1.0
|
O3D
|
E:NAP1258
|
4.8
|
19.4
|
1.0
|
CA
|
E:SER197
|
4.9
|
22.2
|
1.0
|
O4B
|
E:NAP1258
|
4.9
|
18.8
|
1.0
|
O2A
|
E:NAP1258
|
4.9
|
26.8
|
1.0
|
C1D
|
E:NAP1258
|
4.9
|
19.5
|
1.0
|
PA
|
E:NAP1258
|
4.9
|
21.1
|
1.0
|
N
|
E:PHE96
|
5.0
|
15.3
|
1.0
|
O
|
E:9W71259
|
5.0
|
19.0
|
1.0
|
|
Chlorine binding site 6 out
of 8 in 4d43
Go back to
Chlorine Binding Sites List in 4d43
Chlorine binding site 6 out
of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol
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 S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cl1259
b:26.2
occ:1.00
|
CL
|
F:9W71259
|
0.0
|
26.2
|
1.0
|
C11
|
F:9W71259
|
1.7
|
17.6
|
1.0
|
C10
|
F:9W71259
|
2.7
|
27.4
|
1.0
|
C6
|
F:9W71259
|
2.7
|
20.7
|
1.0
|
O1
|
F:9W71259
|
2.9
|
19.0
|
1.0
|
CB
|
F:SER197
|
3.3
|
21.1
|
1.0
|
OG
|
F:SER197
|
3.3
|
23.7
|
1.0
|
O5D
|
F:NAP1258
|
3.4
|
22.5
|
1.0
|
O
|
F:ALA95
|
3.5
|
16.2
|
1.0
|
C2D
|
F:NAP1258
|
3.6
|
19.1
|
1.0
|
C3D
|
F:NAP1258
|
3.6
|
20.3
|
1.0
|
O2D
|
F:NAP1258
|
3.8
|
18.1
|
1.0
|
C5B
|
F:NAP1258
|
3.8
|
23.0
|
1.0
|
CB
|
F:ALA95
|
3.9
|
13.4
|
1.0
|
O
|
F:HOH2109
|
3.9
|
11.0
|
1.0
|
C9
|
F:9W71259
|
3.9
|
26.4
|
1.0
|
C7
|
F:9W71259
|
4.0
|
23.6
|
1.0
|
O3
|
F:NAP1258
|
4.1
|
23.8
|
1.0
|
C
|
F:ALA95
|
4.1
|
16.2
|
1.0
|
C5
|
F:9W71259
|
4.2
|
17.2
|
1.0
|
PN
|
F:NAP1258
|
4.3
|
21.9
|
1.0
|
N
|
F:ALA95
|
4.3
|
17.1
|
1.0
|
CA
|
F:ALA95
|
4.3
|
14.7
|
1.0
|
O1N
|
F:NAP1258
|
4.4
|
20.8
|
1.0
|
C5D
|
F:NAP1258
|
4.4
|
21.0
|
1.0
|
C8
|
F:9W71259
|
4.5
|
25.4
|
1.0
|
C4D
|
F:NAP1258
|
4.5
|
22.2
|
1.0
|
O3D
|
F:NAP1258
|
4.6
|
21.5
|
1.0
|
O5B
|
F:NAP1258
|
4.7
|
25.8
|
1.0
|
O2A
|
F:NAP1258
|
4.8
|
25.4
|
1.0
|
CA
|
F:SER197
|
4.8
|
21.9
|
1.0
|
PA
|
F:NAP1258
|
4.9
|
20.8
|
1.0
|
O4B
|
F:NAP1258
|
4.9
|
16.9
|
1.0
|
O
|
F:9W71259
|
5.0
|
23.2
|
1.0
|
C1D
|
F:NAP1258
|
5.0
|
19.2
|
1.0
|
C4B
|
F:NAP1258
|
5.0
|
20.0
|
1.0
|
C12
|
F:9W71259
|
5.0
|
17.8
|
1.0
|
|
Chlorine binding site 7 out
of 8 in 4d43
Go back to
Chlorine Binding Sites List in 4d43
Chlorine binding site 7 out
of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol
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 S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Cl1260
b:31.6
occ:1.00
|
CL
|
G:9W71260
|
0.0
|
31.6
|
1.0
|
C11
|
G:9W71260
|
1.7
|
29.6
|
1.0
|
C10
|
G:9W71260
|
2.7
|
32.8
|
1.0
|
C6
|
G:9W71260
|
2.7
|
26.5
|
1.0
|
O1
|
G:9W71260
|
2.9
|
29.2
|
1.0
|
CB
|
G:SER197
|
3.3
|
31.9
|
1.0
|
O5D
|
G:NAP1259
|
3.4
|
20.5
|
1.0
|
OG
|
G:SER197
|
3.4
|
33.0
|
1.0
|
O
|
G:HOH2104
|
3.5
|
18.5
|
1.0
|
C2D
|
G:NAP1259
|
3.5
|
23.1
|
1.0
|
O
|
G:ALA95
|
3.6
|
20.8
|
1.0
|
C3D
|
G:NAP1259
|
3.7
|
25.4
|
1.0
|
O2D
|
G:NAP1259
|
3.9
|
23.4
|
1.0
|
CB
|
G:ALA95
|
3.9
|
18.0
|
1.0
|
C5B
|
G:NAP1259
|
3.9
|
19.6
|
1.0
|
C9
|
G:9W71260
|
4.0
|
30.6
|
1.0
|
C7
|
G:9W71260
|
4.0
|
30.7
|
1.0
|
O3
|
G:NAP1259
|
4.1
|
26.8
|
1.0
|
C5D
|
G:NAP1259
|
4.1
|
17.5
|
1.0
|
C
|
G:ALA95
|
4.1
|
19.8
|
1.0
|
C5
|
G:9W71260
|
4.3
|
24.3
|
1.0
|
CA
|
G:ALA95
|
4.4
|
18.0
|
1.0
|
N
|
G:ALA95
|
4.4
|
18.3
|
1.0
|
PN
|
G:NAP1259
|
4.4
|
21.2
|
1.0
|
C4D
|
G:NAP1259
|
4.4
|
25.3
|
1.0
|
C8
|
G:9W71260
|
4.5
|
28.6
|
1.0
|
O1N
|
G:NAP1259
|
4.7
|
21.4
|
1.0
|
O5B
|
G:NAP1259
|
4.7
|
23.2
|
1.0
|
O3D
|
G:NAP1259
|
4.8
|
23.0
|
1.0
|
O2A
|
G:NAP1259
|
4.8
|
22.0
|
1.0
|
CA
|
G:SER197
|
4.8
|
32.7
|
1.0
|
PA
|
G:NAP1259
|
4.9
|
22.1
|
1.0
|
C1D
|
G:NAP1259
|
4.9
|
22.3
|
1.0
|
O
|
G:9W71260
|
5.0
|
25.4
|
1.0
|
O4B
|
G:NAP1259
|
5.0
|
19.9
|
1.0
|
N
|
G:PHE96
|
5.0
|
18.7
|
1.0
|
|
Chlorine binding site 8 out
of 8 in 4d43
Go back to
Chlorine Binding Sites List in 4d43
Chlorine binding site 8 out
of 8 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol
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 S. Aureus Fabi in Complex with Nadp and 2-(2-Chloro-4-Nitrophenoxy)-5-Ethyl-4-Fluorophenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Cl1259
b:36.3
occ:1.00
|
CL
|
H:9W71259
|
0.0
|
36.3
|
1.0
|
C11
|
H:9W71259
|
1.7
|
27.0
|
1.0
|
C10
|
H:9W71259
|
2.7
|
25.9
|
1.0
|
C6
|
H:9W71259
|
2.7
|
24.9
|
1.0
|
O1
|
H:9W71259
|
2.9
|
21.4
|
1.0
|
OG
|
H:SER197
|
3.1
|
34.8
|
1.0
|
CB
|
H:SER197
|
3.3
|
33.1
|
1.0
|
O5D
|
H:NAP1257
|
3.4
|
26.8
|
1.0
|
C2D
|
H:NAP1257
|
3.6
|
21.9
|
1.0
|
C3D
|
H:NAP1257
|
3.6
|
24.2
|
1.0
|
O
|
H:ALA95
|
3.7
|
21.5
|
1.0
|
C5B
|
H:NAP1257
|
3.7
|
29.2
|
1.0
|
O3
|
H:NAP1257
|
3.8
|
28.8
|
1.0
|
O
|
H:HOH2065
|
3.9
|
15.7
|
1.0
|
O2D
|
H:NAP1257
|
3.9
|
19.2
|
1.0
|
CB
|
H:ALA95
|
3.9
|
18.0
|
1.0
|
C9
|
H:9W71259
|
4.0
|
28.7
|
1.0
|
C7
|
H:9W71259
|
4.0
|
20.6
|
1.0
|
C
|
H:ALA95
|
4.2
|
20.1
|
1.0
|
C5
|
H:9W71259
|
4.3
|
21.6
|
1.0
|
PN
|
H:NAP1257
|
4.3
|
22.1
|
1.0
|
C5D
|
H:NAP1257
|
4.3
|
28.3
|
1.0
|
N
|
H:ALA95
|
4.3
|
18.1
|
1.0
|
CA
|
H:ALA95
|
4.4
|
19.3
|
1.0
|
C8
|
H:9W71259
|
4.5
|
23.0
|
1.0
|
O5B
|
H:NAP1257
|
4.5
|
28.6
|
1.0
|
C4D
|
H:NAP1257
|
4.6
|
26.2
|
1.0
|
PA
|
H:NAP1257
|
4.6
|
25.1
|
1.0
|
O1N
|
H:NAP1257
|
4.7
|
20.5
|
1.0
|
O3D
|
H:NAP1257
|
4.7
|
26.6
|
1.0
|
O2A
|
H:NAP1257
|
4.7
|
30.3
|
1.0
|
CA
|
H:SER197
|
4.8
|
35.0
|
1.0
|
|
Reference:
J.Schiebel,
A.Chang,
B.Merget,
G.R.Bommineni,
W.Yu,
L.A.Spagnuolo,
M.V.Baxter,
M.Tareilus,
P.J.Tonge,
C.Kisker,
C.A.Sotriffer.
An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction. Biochemistry 2015.
ISSN: ESSN 1520-4995
PubMed: 25706582
DOI: 10.1021/BI5014358
Page generated: Sun Jul 21 11:45:46 2024
|