Fluorine in PDB 8uv9: M. Tuberculosis Ctp Synthase Bound to Inhibitor GSK1570606A
Other elements in 8uv9:
The structure of M. Tuberculosis Ctp Synthase Bound to Inhibitor GSK1570606A also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the M. Tuberculosis Ctp Synthase Bound to Inhibitor GSK1570606A
(pdb code 8uv9). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the
M. Tuberculosis Ctp Synthase Bound to Inhibitor GSK1570606A, PDB code: 8uv9:
Jump to Fluorine binding site number:
1;
2;
3;
4;
Fluorine binding site 1 out
of 4 in 8uv9
Go back to
Fluorine Binding Sites List in 8uv9
Fluorine binding site 1 out
of 4 in the M. Tuberculosis Ctp Synthase Bound to Inhibitor GSK1570606A
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of M. Tuberculosis Ctp Synthase Bound to Inhibitor GSK1570606A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F602
b:20.8
occ:1.00
|
F21
|
A:Q2N602
|
0.0
|
20.8
|
1.0
|
|
C18
|
A:Q2N602
|
1.4
|
20.8
|
1.0
|
|
C17
|
A:Q2N602
|
2.4
|
20.8
|
1.0
|
|
C19
|
A:Q2N602
|
2.4
|
20.8
|
1.0
|
|
H2
|
A:Q2N602
|
2.6
|
20.8
|
1.0
|
|
H12
|
A:Q2N602
|
2.6
|
20.8
|
1.0
|
|
HE1
|
A:HIS81
|
2.8
|
18.3
|
1.0
|
|
HD13
|
A:ILE256
|
2.9
|
21.9
|
1.0
|
|
HD12
|
A:LEU318
|
2.9
|
25.4
|
1.0
|
|
HG3
|
A:GLU322
|
3.4
|
26.4
|
1.0
|
|
HG2
|
A:GLU322
|
3.5
|
26.4
|
1.0
|
|
CD
|
A:GLU322
|
3.5
|
26.4
|
1.0
|
|
OE2
|
A:GLU322
|
3.5
|
26.4
|
1.0
|
|
HD22
|
A:LEU318
|
3.6
|
25.4
|
1.0
|
|
C16
|
A:Q2N602
|
3.6
|
20.8
|
1.0
|
|
C20
|
A:Q2N602
|
3.6
|
20.8
|
1.0
|
|
CE1
|
A:HIS81
|
3.6
|
18.3
|
1.0
|
|
CD1
|
A:ILE256
|
3.7
|
21.9
|
1.0
|
|
CG
|
A:GLU322
|
3.7
|
26.4
|
1.0
|
|
HG
|
A:LEU318
|
3.7
|
25.4
|
1.0
|
|
CD1
|
A:LEU318
|
3.7
|
25.4
|
1.0
|
|
HD11
|
A:ILE256
|
3.8
|
21.9
|
1.0
|
|
HD11
|
A:LEU318
|
3.8
|
25.4
|
1.0
|
|
HD12
|
A:ILE256
|
3.9
|
21.9
|
1.0
|
|
OE1
|
A:GLU322
|
4.1
|
26.4
|
1.0
|
|
CG
|
A:LEU318
|
4.1
|
25.4
|
1.0
|
|
C15
|
A:Q2N602
|
4.1
|
20.8
|
1.0
|
|
HG21
|
A:ILE256
|
4.1
|
21.9
|
1.0
|
|
HH21
|
A:ARG325
|
4.2
|
28.0
|
1.0
|
|
HD23
|
A:LEU26
|
4.2
|
18.0
|
1.0
|
|
ND1
|
A:HIS81
|
4.2
|
18.3
|
1.0
|
|
HH21
|
A:ARG84
|
4.3
|
21.1
|
1.0
|
|
CD2
|
A:LEU318
|
4.3
|
25.4
|
1.0
|
|
HD13
|
A:LEU318
|
4.5
|
25.4
|
1.0
|
|
H11
|
A:Q2N602
|
4.5
|
20.8
|
1.0
|
|
H3
|
A:Q2N602
|
4.5
|
20.8
|
1.0
|
|
NE2
|
A:HIS81
|
4.7
|
18.3
|
1.0
|
|
HE
|
A:ARG84
|
4.8
|
21.1
|
1.0
|
|
NH2
|
A:ARG84
|
4.8
|
21.1
|
1.0
|
|
HD21
|
A:LEU318
|
4.9
|
25.4
|
1.0
|
|
HE2
|
A:HIS81
|
4.9
|
18.3
|
1.0
|
|
HD13
|
A:LEU26
|
4.9
|
18.0
|
1.0
|
|
NH2
|
A:ARG325
|
4.9
|
28.0
|
1.0
|
|
CG1
|
A:ILE256
|
4.9
|
21.9
|
1.0
|
|
CG2
|
A:ILE256
|
4.9
|
21.9
|
1.0
|
|
HG22
|
A:ILE256
|
5.0
|
21.9
|
1.0
|
|
HH22
|
A:ARG325
|
5.0
|
28.0
|
1.0
|
|
Fluorine binding site 2 out
of 4 in 8uv9
Go back to
Fluorine Binding Sites List in 8uv9
Fluorine binding site 2 out
of 4 in the M. Tuberculosis Ctp Synthase Bound to Inhibitor GSK1570606A
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of M. Tuberculosis Ctp Synthase Bound to Inhibitor GSK1570606A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F602
b:20.7
occ:1.00
|
F21
|
B:Q2N602
|
0.0
|
20.7
|
1.0
|
|
C18
|
B:Q2N602
|
1.4
|
20.7
|
1.0
|
|
C17
|
B:Q2N602
|
2.4
|
20.7
|
1.0
|
|
C19
|
B:Q2N602
|
2.4
|
20.7
|
1.0
|
|
H2
|
B:Q2N602
|
2.6
|
20.7
|
1.0
|
|
H12
|
B:Q2N602
|
2.6
|
20.7
|
1.0
|
|
HE1
|
B:HIS81
|
2.8
|
18.3
|
1.0
|
|
HD13
|
B:ILE256
|
2.9
|
21.7
|
1.0
|
|
HD12
|
B:LEU318
|
2.9
|
25.4
|
1.0
|
|
HG3
|
B:GLU322
|
3.4
|
26.3
|
1.0
|
|
HG2
|
B:GLU322
|
3.5
|
26.3
|
1.0
|
|
CD
|
B:GLU322
|
3.5
|
26.3
|
1.0
|
|
OE2
|
B:GLU322
|
3.6
|
26.3
|
1.0
|
|
HD22
|
B:LEU318
|
3.6
|
25.4
|
1.0
|
|
C16
|
B:Q2N602
|
3.6
|
20.7
|
1.0
|
|
C20
|
B:Q2N602
|
3.6
|
20.7
|
1.0
|
|
CE1
|
B:HIS81
|
3.6
|
18.3
|
1.0
|
|
CD1
|
B:ILE256
|
3.7
|
21.7
|
1.0
|
|
CG
|
B:GLU322
|
3.7
|
26.3
|
1.0
|
|
HG
|
B:LEU318
|
3.7
|
25.4
|
1.0
|
|
CD1
|
B:LEU318
|
3.7
|
25.4
|
1.0
|
|
HD11
|
B:ILE256
|
3.8
|
21.7
|
1.0
|
|
HD11
|
B:LEU318
|
3.8
|
25.4
|
1.0
|
|
HD12
|
B:ILE256
|
3.9
|
21.7
|
1.0
|
|
OE1
|
B:GLU322
|
4.1
|
26.3
|
1.0
|
|
CG
|
B:LEU318
|
4.1
|
25.4
|
1.0
|
|
C15
|
B:Q2N602
|
4.1
|
20.7
|
1.0
|
|
HG21
|
B:ILE256
|
4.1
|
21.7
|
1.0
|
|
HH21
|
B:ARG325
|
4.2
|
27.9
|
1.0
|
|
HD23
|
B:LEU26
|
4.2
|
17.9
|
1.0
|
|
ND1
|
B:HIS81
|
4.3
|
18.3
|
1.0
|
|
HH21
|
B:ARG84
|
4.3
|
21.2
|
1.0
|
|
CD2
|
B:LEU318
|
4.3
|
25.4
|
1.0
|
|
HD13
|
B:LEU318
|
4.5
|
25.4
|
1.0
|
|
H11
|
B:Q2N602
|
4.5
|
20.7
|
1.0
|
|
H3
|
B:Q2N602
|
4.5
|
20.7
|
1.0
|
|
NE2
|
B:HIS81
|
4.7
|
18.3
|
1.0
|
|
HE
|
B:ARG84
|
4.8
|
21.2
|
1.0
|
|
NH2
|
B:ARG84
|
4.8
|
21.2
|
1.0
|
|
HD21
|
B:LEU318
|
4.9
|
25.4
|
1.0
|
|
HE2
|
B:HIS81
|
4.9
|
18.3
|
1.0
|
|
NH2
|
B:ARG325
|
4.9
|
27.9
|
1.0
|
|
HD13
|
B:LEU26
|
4.9
|
17.9
|
1.0
|
|
CG1
|
B:ILE256
|
4.9
|
21.7
|
1.0
|
|
CG2
|
B:ILE256
|
5.0
|
21.7
|
1.0
|
|
HH22
|
B:ARG325
|
5.0
|
27.9
|
1.0
|
|
HG22
|
B:ILE256
|
5.0
|
21.7
|
1.0
|
|
Fluorine binding site 3 out
of 4 in 8uv9
Go back to
Fluorine Binding Sites List in 8uv9
Fluorine binding site 3 out
of 4 in the M. Tuberculosis Ctp Synthase Bound to Inhibitor GSK1570606A
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of M. Tuberculosis Ctp Synthase Bound to Inhibitor GSK1570606A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F603
b:20.7
occ:1.00
|
F21
|
C:Q2N603
|
0.0
|
20.7
|
1.0
|
|
C18
|
C:Q2N603
|
1.4
|
20.7
|
1.0
|
|
C17
|
C:Q2N603
|
2.4
|
20.7
|
1.0
|
|
C19
|
C:Q2N603
|
2.4
|
20.7
|
1.0
|
|
H2
|
C:Q2N603
|
2.6
|
20.7
|
1.0
|
|
H12
|
C:Q2N603
|
2.6
|
20.7
|
1.0
|
|
HE1
|
C:HIS81
|
2.8
|
18.3
|
1.0
|
|
HD13
|
C:ILE256
|
2.9
|
21.8
|
1.0
|
|
HD12
|
C:LEU318
|
2.9
|
25.5
|
1.0
|
|
HG3
|
C:GLU322
|
3.4
|
26.3
|
1.0
|
|
HG2
|
C:GLU322
|
3.5
|
26.3
|
1.0
|
|
CD
|
C:GLU322
|
3.5
|
26.3
|
1.0
|
|
OE2
|
C:GLU322
|
3.5
|
26.3
|
1.0
|
|
HD22
|
C:LEU318
|
3.6
|
25.5
|
1.0
|
|
C16
|
C:Q2N603
|
3.6
|
20.7
|
1.0
|
|
C20
|
C:Q2N603
|
3.6
|
20.7
|
1.0
|
|
CE1
|
C:HIS81
|
3.6
|
18.3
|
1.0
|
|
CD1
|
C:ILE256
|
3.7
|
21.8
|
1.0
|
|
CG
|
C:GLU322
|
3.7
|
26.3
|
1.0
|
|
HG
|
C:LEU318
|
3.7
|
25.5
|
1.0
|
|
CD1
|
C:LEU318
|
3.7
|
25.5
|
1.0
|
|
HD11
|
C:ILE256
|
3.8
|
21.8
|
1.0
|
|
HD11
|
C:LEU318
|
3.8
|
25.5
|
1.0
|
|
HD12
|
C:ILE256
|
3.9
|
21.8
|
1.0
|
|
OE1
|
C:GLU322
|
4.1
|
26.3
|
1.0
|
|
CG
|
C:LEU318
|
4.1
|
25.5
|
1.0
|
|
C15
|
C:Q2N603
|
4.1
|
20.7
|
1.0
|
|
HG21
|
C:ILE256
|
4.1
|
21.8
|
1.0
|
|
HH21
|
C:ARG325
|
4.2
|
28.0
|
1.0
|
|
HD23
|
C:LEU26
|
4.2
|
17.9
|
1.0
|
|
ND1
|
C:HIS81
|
4.3
|
18.3
|
1.0
|
|
HH21
|
C:ARG84
|
4.3
|
21.1
|
1.0
|
|
CD2
|
C:LEU318
|
4.3
|
25.5
|
1.0
|
|
HD13
|
C:LEU318
|
4.5
|
25.5
|
1.0
|
|
H11
|
C:Q2N603
|
4.5
|
20.7
|
1.0
|
|
H3
|
C:Q2N603
|
4.5
|
20.7
|
1.0
|
|
NE2
|
C:HIS81
|
4.7
|
18.3
|
1.0
|
|
HE
|
C:ARG84
|
4.8
|
21.1
|
1.0
|
|
NH2
|
C:ARG84
|
4.8
|
21.1
|
1.0
|
|
HD21
|
C:LEU318
|
4.9
|
25.5
|
1.0
|
|
HE2
|
C:HIS81
|
4.9
|
18.3
|
1.0
|
|
NH2
|
C:ARG325
|
4.9
|
28.0
|
1.0
|
|
HD13
|
C:LEU26
|
4.9
|
17.9
|
1.0
|
|
CG1
|
C:ILE256
|
4.9
|
21.8
|
1.0
|
|
CG2
|
C:ILE256
|
5.0
|
21.8
|
1.0
|
|
HG22
|
C:ILE256
|
5.0
|
21.8
|
1.0
|
|
HH22
|
C:ARG325
|
5.0
|
28.0
|
1.0
|
|
Fluorine binding site 4 out
of 4 in 8uv9
Go back to
Fluorine Binding Sites List in 8uv9
Fluorine binding site 4 out
of 4 in the M. Tuberculosis Ctp Synthase Bound to Inhibitor GSK1570606A
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of M. Tuberculosis Ctp Synthase Bound to Inhibitor GSK1570606A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F603
b:20.7
occ:1.00
|
F21
|
D:Q2N603
|
0.0
|
20.7
|
1.0
|
|
C18
|
D:Q2N603
|
1.4
|
20.7
|
1.0
|
|
C17
|
D:Q2N603
|
2.4
|
20.7
|
1.0
|
|
C19
|
D:Q2N603
|
2.4
|
20.7
|
1.0
|
|
H2
|
D:Q2N603
|
2.6
|
20.7
|
1.0
|
|
H12
|
D:Q2N603
|
2.6
|
20.7
|
1.0
|
|
HE1
|
D:HIS81
|
2.8
|
18.3
|
1.0
|
|
HD13
|
D:ILE256
|
2.9
|
21.8
|
1.0
|
|
HD12
|
D:LEU318
|
2.9
|
25.4
|
1.0
|
|
HG3
|
D:GLU322
|
3.4
|
26.2
|
1.0
|
|
HG2
|
D:GLU322
|
3.5
|
26.2
|
1.0
|
|
CD
|
D:GLU322
|
3.5
|
26.2
|
1.0
|
|
OE2
|
D:GLU322
|
3.5
|
26.2
|
1.0
|
|
C16
|
D:Q2N603
|
3.6
|
20.7
|
1.0
|
|
HD22
|
D:LEU318
|
3.6
|
25.4
|
1.0
|
|
C20
|
D:Q2N603
|
3.6
|
20.7
|
1.0
|
|
CE1
|
D:HIS81
|
3.6
|
18.3
|
1.0
|
|
CD1
|
D:ILE256
|
3.7
|
21.8
|
1.0
|
|
CG
|
D:GLU322
|
3.7
|
26.2
|
1.0
|
|
HG
|
D:LEU318
|
3.7
|
25.4
|
1.0
|
|
CD1
|
D:LEU318
|
3.7
|
25.4
|
1.0
|
|
HD11
|
D:ILE256
|
3.8
|
21.8
|
1.0
|
|
HD11
|
D:LEU318
|
3.8
|
25.4
|
1.0
|
|
HD12
|
D:ILE256
|
3.9
|
21.8
|
1.0
|
|
OE1
|
D:GLU322
|
4.1
|
26.2
|
1.0
|
|
CG
|
D:LEU318
|
4.1
|
25.4
|
1.0
|
|
C15
|
D:Q2N603
|
4.1
|
20.7
|
1.0
|
|
HG21
|
D:ILE256
|
4.1
|
21.8
|
1.0
|
|
HH21
|
D:ARG325
|
4.2
|
27.9
|
1.0
|
|
HD23
|
D:LEU26
|
4.2
|
17.9
|
1.0
|
|
ND1
|
D:HIS81
|
4.2
|
18.3
|
1.0
|
|
HH21
|
D:ARG84
|
4.3
|
21.1
|
1.0
|
|
CD2
|
D:LEU318
|
4.3
|
25.4
|
1.0
|
|
HD13
|
D:LEU318
|
4.5
|
25.4
|
1.0
|
|
H11
|
D:Q2N603
|
4.5
|
20.7
|
1.0
|
|
H3
|
D:Q2N603
|
4.5
|
20.7
|
1.0
|
|
NE2
|
D:HIS81
|
4.7
|
18.3
|
1.0
|
|
HE
|
D:ARG84
|
4.8
|
21.1
|
1.0
|
|
NH2
|
D:ARG84
|
4.8
|
21.1
|
1.0
|
|
HD21
|
D:LEU318
|
4.9
|
25.4
|
1.0
|
|
HE2
|
D:HIS81
|
4.9
|
18.3
|
1.0
|
|
HD13
|
D:LEU26
|
4.9
|
17.9
|
1.0
|
|
NH2
|
D:ARG325
|
4.9
|
27.9
|
1.0
|
|
CG1
|
D:ILE256
|
4.9
|
21.8
|
1.0
|
|
CG2
|
D:ILE256
|
5.0
|
21.8
|
1.0
|
|
HG22
|
D:ILE256
|
5.0
|
21.8
|
1.0
|
|
HH22
|
D:ARG325
|
5.0
|
27.9
|
1.0
|
|
Reference:
E.M.Lynch,
J.M.Kollman.
M. Tuberculosis Ctp Synthase Filament Bound to Substrates To Be Published.
Page generated: Wed Jul 16 09:27:12 2025
|
