Fluorine in PDB 8e71: Staphylococcus Aureus Clpp in Complex with Compound 3471
Enzymatic activity of Staphylococcus Aureus Clpp in Complex with Compound 3471
All present enzymatic activity of Staphylococcus Aureus Clpp in Complex with Compound 3471:
3.4.21.92;
Protein crystallography data
The structure of Staphylococcus Aureus Clpp in Complex with Compound 3471, PDB code: 8e71
was solved by
R.E.Lee,
E.C.Griffith,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
31.54 /
1.57
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
94.68,
126.994,
145.851,
90,
93.97,
90
|
R / Rfree (%)
|
15.6 /
17.1
|
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
14;
Binding sites:
The binding sites of Fluorine atom in the Staphylococcus Aureus Clpp in Complex with Compound 3471
(pdb code 8e71). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 14 binding sites of Fluorine where determined in the
Staphylococcus Aureus Clpp in Complex with Compound 3471, PDB code: 8e71:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 14 in 8e71
Go back to
Fluorine Binding Sites List in 8e71
Fluorine binding site 1 out
of 14 in the Staphylococcus Aureus Clpp in Complex with Compound 3471
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Staphylococcus Aureus Clpp in Complex with Compound 3471 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F302
b:27.5
occ:1.00
|
F33
|
A:USU302
|
0.0
|
27.5
|
1.0
|
C32
|
A:USU302
|
1.3
|
23.5
|
1.0
|
C31
|
A:USU302
|
2.3
|
21.5
|
1.0
|
C34
|
A:USU302
|
2.4
|
23.8
|
1.0
|
CG
|
A:ARG23
|
3.3
|
21.0
|
1.0
|
CD1
|
B:PHE50
|
3.4
|
22.3
|
1.0
|
C30
|
A:USU302
|
3.6
|
20.8
|
1.0
|
CD1
|
A:LEU24
|
3.6
|
16.9
|
1.0
|
C35
|
A:USU302
|
3.6
|
23.4
|
1.0
|
NH1
|
A:ARG23
|
3.8
|
23.0
|
1.0
|
CB
|
B:PHE50
|
3.8
|
18.5
|
1.0
|
O
|
A:ARG23
|
3.9
|
17.5
|
1.0
|
CA
|
B:PHE50
|
3.9
|
17.9
|
1.0
|
CZ
|
A:ARG23
|
4.0
|
22.5
|
1.0
|
C
|
A:ARG23
|
4.1
|
16.6
|
1.0
|
C29
|
A:USU302
|
4.1
|
20.5
|
1.0
|
CG
|
B:PHE50
|
4.1
|
20.1
|
1.0
|
N
|
A:LEU24
|
4.2
|
15.8
|
1.0
|
CA
|
A:LEU24
|
4.2
|
16.4
|
1.0
|
NE
|
A:ARG23
|
4.2
|
23.5
|
1.0
|
CD
|
A:ARG23
|
4.3
|
22.9
|
1.0
|
CB
|
A:ARG23
|
4.3
|
18.7
|
1.0
|
CG
|
A:LEU24
|
4.3
|
16.7
|
1.0
|
CE1
|
B:PHE50
|
4.4
|
24.5
|
1.0
|
N
|
B:PHE50
|
4.6
|
17.1
|
1.0
|
NH2
|
A:ARG23
|
4.7
|
26.5
|
1.0
|
CA
|
A:ARG23
|
4.8
|
17.6
|
1.0
|
CB
|
A:LEU24
|
4.9
|
16.8
|
1.0
|
|
Fluorine binding site 2 out
of 14 in 8e71
Go back to
Fluorine Binding Sites List in 8e71
Fluorine binding site 2 out
of 14 in the Staphylococcus Aureus Clpp in Complex with Compound 3471
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Staphylococcus Aureus Clpp in Complex with Compound 3471 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F302
b:29.0
occ:1.00
|
F33
|
B:USU302
|
0.0
|
29.0
|
1.0
|
C32
|
B:USU302
|
1.3
|
26.3
|
1.0
|
C31
|
B:USU302
|
2.3
|
23.0
|
1.0
|
C34
|
B:USU302
|
2.3
|
24.9
|
1.0
|
CG
|
B:ARG23
|
3.4
|
24.0
|
1.0
|
CD1
|
C:PHE50
|
3.5
|
25.0
|
1.0
|
CD1
|
B:LEU24
|
3.5
|
21.1
|
1.0
|
C30
|
B:USU302
|
3.6
|
23.0
|
1.0
|
C35
|
B:USU302
|
3.6
|
26.6
|
1.0
|
NH1
|
B:ARG23
|
3.8
|
26.4
|
1.0
|
CB
|
C:PHE50
|
4.0
|
21.1
|
1.0
|
O
|
B:ARG23
|
4.0
|
21.9
|
1.0
|
CZ
|
B:ARG23
|
4.0
|
28.0
|
1.0
|
C29
|
B:USU302
|
4.0
|
22.5
|
1.0
|
CA
|
C:PHE50
|
4.1
|
20.6
|
1.0
|
C
|
B:ARG23
|
4.1
|
19.6
|
1.0
|
N
|
B:LEU24
|
4.2
|
18.7
|
1.0
|
CA
|
B:LEU24
|
4.2
|
19.8
|
1.0
|
CG
|
C:PHE50
|
4.2
|
21.8
|
1.0
|
NE
|
B:ARG23
|
4.2
|
27.7
|
1.0
|
CG
|
B:LEU24
|
4.3
|
20.1
|
1.0
|
CB
|
B:ARG23
|
4.4
|
22.4
|
1.0
|
CD
|
B:ARG23
|
4.4
|
26.8
|
1.0
|
CE1
|
C:PHE50
|
4.5
|
28.6
|
1.0
|
NH2
|
B:ARG23
|
4.6
|
32.4
|
1.0
|
N
|
C:PHE50
|
4.8
|
19.4
|
1.0
|
CB
|
B:LEU24
|
4.8
|
17.3
|
1.0
|
CA
|
B:ARG23
|
4.9
|
22.4
|
1.0
|
|
Fluorine binding site 3 out
of 14 in 8e71
Go back to
Fluorine Binding Sites List in 8e71
Fluorine binding site 3 out
of 14 in the Staphylococcus Aureus Clpp in Complex with Compound 3471
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Staphylococcus Aureus Clpp in Complex with Compound 3471 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F302
b:32.2
occ:1.00
|
F33
|
C:USU302
|
0.0
|
32.2
|
1.0
|
C32
|
C:USU302
|
1.3
|
28.0
|
1.0
|
C31
|
C:USU302
|
2.3
|
24.6
|
1.0
|
C34
|
C:USU302
|
2.4
|
30.7
|
1.0
|
CD1
|
D:PHE50
|
3.4
|
25.5
|
1.0
|
CG
|
C:ARG23
|
3.4
|
28.5
|
1.0
|
CD1
|
C:LEU24
|
3.5
|
22.0
|
1.0
|
C30
|
C:USU302
|
3.6
|
25.4
|
1.0
|
C35
|
C:USU302
|
3.6
|
28.4
|
1.0
|
NH1
|
C:ARG23
|
3.8
|
29.8
|
1.0
|
O
|
C:ARG23
|
3.9
|
24.3
|
1.0
|
CB
|
D:PHE50
|
3.9
|
23.4
|
1.0
|
CZ
|
C:ARG23
|
4.0
|
33.1
|
1.0
|
C
|
C:ARG23
|
4.0
|
23.2
|
1.0
|
CA
|
D:PHE50
|
4.0
|
22.6
|
1.0
|
C29
|
C:USU302
|
4.1
|
24.9
|
1.0
|
N
|
C:LEU24
|
4.1
|
22.4
|
1.0
|
CG
|
D:PHE50
|
4.1
|
22.6
|
1.0
|
CA
|
C:LEU24
|
4.2
|
22.8
|
1.0
|
NE
|
C:ARG23
|
4.3
|
30.3
|
1.0
|
CB
|
C:ARG23
|
4.3
|
25.5
|
1.0
|
CG
|
C:LEU24
|
4.3
|
21.2
|
1.0
|
CE1
|
D:PHE50
|
4.4
|
28.7
|
1.0
|
CD
|
C:ARG23
|
4.4
|
29.3
|
1.0
|
NH2
|
C:ARG23
|
4.6
|
34.2
|
1.0
|
N
|
D:PHE50
|
4.7
|
21.9
|
1.0
|
CA
|
C:ARG23
|
4.8
|
22.9
|
1.0
|
CB
|
C:LEU24
|
4.8
|
21.5
|
1.0
|
|
Fluorine binding site 4 out
of 14 in 8e71
Go back to
Fluorine Binding Sites List in 8e71
Fluorine binding site 4 out
of 14 in the Staphylococcus Aureus Clpp in Complex with Compound 3471
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Staphylococcus Aureus Clpp in Complex with Compound 3471 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F302
b:32.0
occ:1.00
|
F33
|
D:USU302
|
0.0
|
32.0
|
1.0
|
C32
|
D:USU302
|
1.4
|
28.3
|
1.0
|
C31
|
D:USU302
|
2.3
|
23.9
|
1.0
|
C34
|
D:USU302
|
2.4
|
27.1
|
1.0
|
CG
|
D:ARG23
|
3.4
|
25.8
|
1.0
|
CD1
|
D:LEU24
|
3.5
|
24.7
|
1.0
|
CD1
|
E:PHE50
|
3.5
|
26.0
|
1.0
|
C30
|
D:USU302
|
3.6
|
24.0
|
1.0
|
C35
|
D:USU302
|
3.6
|
25.7
|
1.0
|
NH1
|
D:ARG23
|
3.8
|
30.1
|
1.0
|
CB
|
E:PHE50
|
3.9
|
22.6
|
1.0
|
O
|
D:ARG23
|
3.9
|
24.6
|
1.0
|
CA
|
E:PHE50
|
4.0
|
20.6
|
1.0
|
C
|
D:ARG23
|
4.0
|
22.8
|
1.0
|
CZ
|
D:ARG23
|
4.1
|
32.8
|
1.0
|
C29
|
D:USU302
|
4.1
|
23.8
|
1.0
|
N
|
D:LEU24
|
4.1
|
20.5
|
1.0
|
CA
|
D:LEU24
|
4.2
|
21.1
|
1.0
|
CG
|
E:PHE50
|
4.2
|
22.9
|
1.0
|
CG
|
D:LEU24
|
4.2
|
20.8
|
1.0
|
NE
|
D:ARG23
|
4.3
|
29.2
|
1.0
|
CB
|
D:ARG23
|
4.3
|
23.5
|
1.0
|
CD
|
D:ARG23
|
4.4
|
27.6
|
1.0
|
CE1
|
E:PHE50
|
4.5
|
29.4
|
1.0
|
NH2
|
D:ARG23
|
4.7
|
32.4
|
1.0
|
N
|
E:PHE50
|
4.7
|
21.2
|
1.0
|
CB
|
D:LEU24
|
4.8
|
21.5
|
1.0
|
CA
|
D:ARG23
|
4.8
|
22.4
|
1.0
|
|
Fluorine binding site 5 out
of 14 in 8e71
Go back to
Fluorine Binding Sites List in 8e71
Fluorine binding site 5 out
of 14 in the Staphylococcus Aureus Clpp in Complex with Compound 3471
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Staphylococcus Aureus Clpp in Complex with Compound 3471 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F302
b:29.7
occ:1.00
|
F33
|
E:USU302
|
0.0
|
29.7
|
1.0
|
C32
|
E:USU302
|
1.3
|
27.2
|
1.0
|
C31
|
E:USU302
|
2.3
|
23.5
|
1.0
|
C34
|
E:USU302
|
2.4
|
26.4
|
1.0
|
CG
|
E:ARG23
|
3.4
|
24.1
|
1.0
|
CD1
|
F:PHE50
|
3.4
|
24.2
|
1.0
|
CD1
|
E:LEU24
|
3.5
|
22.0
|
1.0
|
C30
|
E:USU302
|
3.6
|
22.8
|
1.0
|
C35
|
E:USU302
|
3.6
|
25.2
|
1.0
|
NH1
|
E:ARG23
|
3.8
|
27.2
|
1.0
|
CB
|
F:PHE50
|
3.9
|
20.4
|
1.0
|
CA
|
F:PHE50
|
4.0
|
19.2
|
1.0
|
O
|
E:ARG23
|
4.0
|
21.3
|
1.0
|
CZ
|
E:ARG23
|
4.1
|
28.5
|
1.0
|
C29
|
E:USU302
|
4.1
|
21.4
|
1.0
|
C
|
E:ARG23
|
4.1
|
21.9
|
1.0
|
CG
|
F:PHE50
|
4.2
|
21.2
|
1.0
|
N
|
E:LEU24
|
4.2
|
20.3
|
1.0
|
CA
|
E:LEU24
|
4.2
|
19.9
|
1.0
|
NE
|
E:ARG23
|
4.2
|
28.7
|
1.0
|
CG
|
E:LEU24
|
4.3
|
21.6
|
1.0
|
CB
|
E:ARG23
|
4.3
|
21.9
|
1.0
|
CD
|
E:ARG23
|
4.4
|
25.9
|
1.0
|
CE1
|
F:PHE50
|
4.4
|
25.3
|
1.0
|
NH2
|
E:ARG23
|
4.6
|
33.6
|
1.0
|
N
|
F:PHE50
|
4.7
|
18.4
|
1.0
|
CA
|
E:ARG23
|
4.9
|
21.3
|
1.0
|
CB
|
E:LEU24
|
4.9
|
21.1
|
1.0
|
|
Fluorine binding site 6 out
of 14 in 8e71
Go back to
Fluorine Binding Sites List in 8e71
Fluorine binding site 6 out
of 14 in the Staphylococcus Aureus Clpp in Complex with Compound 3471
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Staphylococcus Aureus Clpp in Complex with Compound 3471 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:F302
b:27.8
occ:1.00
|
F33
|
F:USU302
|
0.0
|
27.8
|
1.0
|
C32
|
F:USU302
|
1.3
|
24.3
|
1.0
|
C31
|
F:USU302
|
2.3
|
21.1
|
1.0
|
C34
|
F:USU302
|
2.4
|
23.1
|
1.0
|
CG
|
F:ARG23
|
3.5
|
21.1
|
1.0
|
CD1
|
G:PHE50
|
3.5
|
18.2
|
1.0
|
CD1
|
F:LEU24
|
3.5
|
19.1
|
1.0
|
C30
|
F:USU302
|
3.5
|
19.6
|
1.0
|
C35
|
F:USU302
|
3.6
|
21.4
|
1.0
|
CB
|
G:PHE50
|
3.8
|
15.2
|
1.0
|
NH1
|
F:ARG23
|
3.9
|
24.1
|
1.0
|
CA
|
G:PHE50
|
3.9
|
14.9
|
1.0
|
CZ
|
F:ARG23
|
4.0
|
24.8
|
1.0
|
C29
|
F:USU302
|
4.1
|
19.7
|
1.0
|
O
|
F:ARG23
|
4.1
|
18.4
|
1.0
|
CG
|
G:PHE50
|
4.2
|
15.4
|
1.0
|
C
|
F:ARG23
|
4.2
|
16.4
|
1.0
|
NE
|
F:ARG23
|
4.2
|
23.9
|
1.0
|
N
|
F:LEU24
|
4.3
|
14.9
|
1.0
|
CG
|
F:LEU24
|
4.3
|
17.6
|
1.0
|
CA
|
F:LEU24
|
4.3
|
15.2
|
1.0
|
O
|
G:HOH404
|
4.4
|
41.7
|
1.0
|
CB
|
F:ARG23
|
4.4
|
18.9
|
1.0
|
CD
|
F:ARG23
|
4.4
|
22.5
|
1.0
|
CE1
|
G:PHE50
|
4.5
|
20.4
|
1.0
|
NH2
|
F:ARG23
|
4.5
|
29.9
|
1.0
|
N
|
G:PHE50
|
4.6
|
14.5
|
1.0
|
CB
|
F:LEU24
|
4.9
|
15.7
|
1.0
|
CA
|
F:ARG23
|
5.0
|
17.4
|
1.0
|
|
Fluorine binding site 7 out
of 14 in 8e71
Go back to
Fluorine Binding Sites List in 8e71
Fluorine binding site 7 out
of 14 in the Staphylococcus Aureus Clpp in Complex with Compound 3471
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Staphylococcus Aureus Clpp in Complex with Compound 3471 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:F303
b:25.9
occ:1.00
|
F33
|
G:USU303
|
0.0
|
25.9
|
1.0
|
C32
|
G:USU303
|
1.4
|
21.4
|
1.0
|
C31
|
G:USU303
|
2.4
|
18.1
|
1.0
|
C34
|
G:USU303
|
2.4
|
21.1
|
1.0
|
CG
|
G:ARG23
|
3.3
|
18.5
|
1.0
|
CD1
|
G:LEU24
|
3.4
|
16.9
|
1.0
|
CD1
|
A:PHE50
|
3.5
|
19.3
|
1.0
|
C30
|
G:USU303
|
3.6
|
18.3
|
1.0
|
C35
|
G:USU303
|
3.6
|
20.9
|
1.0
|
CB
|
A:PHE50
|
3.8
|
14.2
|
1.0
|
O
|
G:ARG23
|
3.9
|
15.9
|
1.0
|
NH1
|
G:ARG23
|
3.9
|
20.6
|
1.0
|
CA
|
A:PHE50
|
3.9
|
14.3
|
1.0
|
C
|
G:ARG23
|
4.0
|
15.7
|
1.0
|
N
|
G:LEU24
|
4.0
|
14.5
|
1.0
|
CA
|
G:LEU24
|
4.1
|
13.6
|
1.0
|
CG
|
A:PHE50
|
4.1
|
16.7
|
1.0
|
C29
|
G:USU303
|
4.2
|
18.6
|
1.0
|
CZ
|
G:ARG23
|
4.2
|
21.8
|
1.0
|
CG
|
G:LEU24
|
4.2
|
15.8
|
1.0
|
CB
|
G:ARG23
|
4.2
|
16.4
|
1.0
|
NE
|
G:ARG23
|
4.3
|
22.0
|
1.0
|
CD
|
G:ARG23
|
4.4
|
21.1
|
1.0
|
CE1
|
A:PHE50
|
4.5
|
22.6
|
1.0
|
N
|
A:PHE50
|
4.6
|
13.8
|
1.0
|
CB
|
G:LEU24
|
4.7
|
14.8
|
1.0
|
CA
|
G:ARG23
|
4.8
|
15.5
|
1.0
|
NH2
|
G:ARG23
|
4.9
|
24.8
|
1.0
|
C5
|
G:MPD301
|
5.0
|
31.1
|
1.0
|
|
Fluorine binding site 8 out
of 14 in 8e71
Go back to
Fluorine Binding Sites List in 8e71
Fluorine binding site 8 out
of 14 in the Staphylococcus Aureus Clpp in Complex with Compound 3471
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Staphylococcus Aureus Clpp in Complex with Compound 3471 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:F302
b:29.4
occ:1.00
|
F33
|
I:USU302
|
0.0
|
29.4
|
1.0
|
C32
|
I:USU302
|
1.3
|
24.8
|
1.0
|
C31
|
I:USU302
|
2.3
|
23.6
|
1.0
|
C34
|
I:USU302
|
2.4
|
23.9
|
1.0
|
CG
|
I:ARG23
|
3.4
|
22.8
|
1.0
|
CD1
|
K:PHE50
|
3.4
|
25.7
|
1.0
|
CD1
|
I:LEU24
|
3.5
|
19.5
|
1.0
|
C30
|
I:USU302
|
3.6
|
21.3
|
1.0
|
C35
|
I:USU302
|
3.6
|
24.9
|
1.0
|
NH1
|
I:ARG23
|
3.8
|
26.5
|
1.0
|
CB
|
K:PHE50
|
3.9
|
19.9
|
1.0
|
CA
|
K:PHE50
|
4.0
|
18.7
|
1.0
|
O
|
I:ARG23
|
4.0
|
18.6
|
1.0
|
CZ
|
I:ARG23
|
4.0
|
28.9
|
1.0
|
C29
|
I:USU302
|
4.1
|
22.9
|
1.0
|
C
|
I:ARG23
|
4.1
|
17.1
|
1.0
|
CG
|
K:PHE50
|
4.1
|
21.3
|
1.0
|
N
|
I:LEU24
|
4.2
|
16.6
|
1.0
|
NE
|
I:ARG23
|
4.2
|
26.8
|
1.0
|
CA
|
I:LEU24
|
4.2
|
18.2
|
1.0
|
CG
|
I:LEU24
|
4.3
|
18.7
|
1.0
|
CB
|
I:ARG23
|
4.3
|
20.9
|
1.0
|
CD
|
I:ARG23
|
4.4
|
23.8
|
1.0
|
CE1
|
K:PHE50
|
4.4
|
26.3
|
1.0
|
NH2
|
I:ARG23
|
4.6
|
31.5
|
1.0
|
N
|
K:PHE50
|
4.7
|
17.9
|
1.0
|
CB
|
I:LEU24
|
4.8
|
17.6
|
1.0
|
CA
|
I:ARG23
|
4.9
|
19.4
|
1.0
|
|
Fluorine binding site 9 out
of 14 in 8e71
Go back to
Fluorine Binding Sites List in 8e71
Fluorine binding site 9 out
of 14 in the Staphylococcus Aureus Clpp in Complex with Compound 3471
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Staphylococcus Aureus Clpp in Complex with Compound 3471 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:F302
b:30.1
occ:1.00
|
F33
|
K:USU302
|
0.0
|
30.1
|
1.0
|
C32
|
K:USU302
|
1.3
|
26.5
|
1.0
|
C31
|
K:USU302
|
2.3
|
23.5
|
1.0
|
C34
|
K:USU302
|
2.4
|
25.4
|
1.0
|
CG
|
K:ARG23
|
3.4
|
24.1
|
1.0
|
CD1
|
K:LEU24
|
3.4
|
22.8
|
1.0
|
CD1
|
L:PHE50
|
3.5
|
25.0
|
1.0
|
C30
|
K:USU302
|
3.6
|
22.6
|
1.0
|
C35
|
K:USU302
|
3.6
|
25.6
|
1.0
|
NH1
|
K:ARG23
|
3.9
|
29.3
|
1.0
|
CB
|
L:PHE50
|
3.9
|
22.0
|
1.0
|
CA
|
L:PHE50
|
4.0
|
21.1
|
1.0
|
O
|
K:ARG23
|
4.0
|
20.7
|
1.0
|
C29
|
K:USU302
|
4.1
|
23.9
|
1.0
|
CZ
|
K:ARG23
|
4.1
|
29.4
|
1.0
|
C
|
K:ARG23
|
4.1
|
19.8
|
1.0
|
CG
|
L:PHE50
|
4.2
|
21.9
|
1.0
|
N
|
K:LEU24
|
4.2
|
18.9
|
1.0
|
CA
|
K:LEU24
|
4.2
|
20.3
|
1.0
|
CG
|
K:LEU24
|
4.2
|
20.4
|
1.0
|
NE
|
K:ARG23
|
4.3
|
29.8
|
1.0
|
CB
|
K:ARG23
|
4.3
|
21.9
|
1.0
|
CD
|
K:ARG23
|
4.4
|
26.3
|
1.0
|
CE1
|
L:PHE50
|
4.5
|
26.2
|
1.0
|
N
|
L:PHE50
|
4.6
|
20.2
|
1.0
|
NH2
|
K:ARG23
|
4.7
|
31.2
|
1.0
|
CB
|
K:LEU24
|
4.8
|
20.2
|
1.0
|
CA
|
K:ARG23
|
4.9
|
19.4
|
1.0
|
|
Fluorine binding site 10 out
of 14 in 8e71
Go back to
Fluorine Binding Sites List in 8e71
Fluorine binding site 10 out
of 14 in the Staphylococcus Aureus Clpp in Complex with Compound 3471
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Staphylococcus Aureus Clpp in Complex with Compound 3471 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:F302
b:32.2
occ:1.00
|
F33
|
L:USU302
|
0.0
|
32.2
|
1.0
|
C32
|
L:USU302
|
1.3
|
26.9
|
1.0
|
C31
|
L:USU302
|
2.3
|
23.3
|
1.0
|
C34
|
L:USU302
|
2.4
|
28.2
|
1.0
|
CG
|
L:ARG23
|
3.4
|
23.9
|
1.0
|
CD1
|
M:PHE50
|
3.5
|
24.9
|
1.0
|
CD1
|
L:LEU24
|
3.5
|
23.3
|
1.0
|
C30
|
L:USU302
|
3.5
|
24.3
|
1.0
|
C35
|
L:USU302
|
3.6
|
25.9
|
1.0
|
NH1
|
L:ARG23
|
3.9
|
25.9
|
1.0
|
CB
|
M:PHE50
|
4.0
|
23.7
|
1.0
|
O
|
L:ARG23
|
4.0
|
22.0
|
1.0
|
C29
|
L:USU302
|
4.1
|
23.0
|
1.0
|
CA
|
M:PHE50
|
4.1
|
20.6
|
1.0
|
C
|
L:ARG23
|
4.1
|
22.0
|
1.0
|
CZ
|
L:ARG23
|
4.1
|
32.0
|
1.0
|
N
|
L:LEU24
|
4.2
|
20.7
|
1.0
|
CA
|
L:LEU24
|
4.2
|
20.6
|
1.0
|
CG
|
M:PHE50
|
4.2
|
24.9
|
1.0
|
CG
|
L:LEU24
|
4.3
|
21.4
|
1.0
|
CB
|
L:ARG23
|
4.3
|
23.0
|
1.0
|
NE
|
L:ARG23
|
4.3
|
28.5
|
1.0
|
CD
|
L:ARG23
|
4.4
|
28.4
|
1.0
|
CE1
|
M:PHE50
|
4.5
|
28.6
|
1.0
|
NH2
|
L:ARG23
|
4.7
|
35.2
|
1.0
|
N
|
M:PHE50
|
4.7
|
18.8
|
1.0
|
CB
|
L:LEU24
|
4.8
|
20.6
|
1.0
|
CA
|
L:ARG23
|
4.8
|
22.2
|
1.0
|
|
Reference:
A.C.Singh,
Y.Zhao,
E.C.Griffith,
R.Tangallapally,
M.W.Jarret,
R.E.Lee.
Development of A High Throughput and Site Specific, Fluorescent Polarization Assay to Screen For Activators of Caseinolytic Protease P Leads to the Discovery of Synthetically Tractable New Activator Class To Be Published.
Page generated: Fri Aug 2 17:59:27 2024
|