Fluorine in PDB 5duc: Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A
Enzymatic activity of Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A
All present enzymatic activity of Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A:
4.2.1.17;
Protein crystallography data
The structure of Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A, PDB code: 5duc
was solved by
J.A.G.Cox,
G.S.Besra,
K.Futterer,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.90 /
2.70
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
51.340,
119.230,
171.620,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.7 /
23.4
|
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A
(pdb code 5duc). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the
Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A, PDB code: 5duc:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Fluorine binding site 1 out
of 9 in 5duc
Go back to
Fluorine Binding Sites List in 5duc
Fluorine binding site 1 out
of 9 in the Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F301
b:63.2
occ:1.00
|
F57
|
A:G51301
|
0.0
|
63.2
|
1.0
|
C13
|
A:G51301
|
1.3
|
63.2
|
1.0
|
F58
|
A:G51301
|
2.1
|
63.2
|
1.0
|
F56
|
A:G51301
|
2.2
|
63.2
|
1.0
|
C3
|
A:G51301
|
2.3
|
63.2
|
1.0
|
N19
|
A:G51301
|
2.4
|
63.2
|
1.0
|
H3
|
A:G51301
|
2.6
|
27.8
|
1.0
|
N4
|
A:G51301
|
2.7
|
63.2
|
1.0
|
OE1
|
A:GLN103
|
3.2
|
25.1
|
1.0
|
NE2
|
A:GLN103
|
3.2
|
24.6
|
1.0
|
CD
|
A:GLN103
|
3.5
|
24.5
|
1.0
|
CD2
|
A:LEU75
|
3.6
|
23.9
|
1.0
|
C2
|
A:G51301
|
3.7
|
63.2
|
1.0
|
C18
|
A:G51301
|
3.8
|
63.2
|
1.0
|
H22
|
A:G51301
|
3.9
|
27.8
|
1.0
|
C5
|
A:G51301
|
4.0
|
63.2
|
1.0
|
H21
|
A:G51301
|
4.1
|
27.8
|
1.0
|
CG
|
A:LEU75
|
4.2
|
24.1
|
1.0
|
OD1
|
A:ASP131
|
4.2
|
16.3
|
1.0
|
O
|
A:HOH416
|
4.3
|
15.9
|
1.0
|
H18
|
A:G51301
|
4.3
|
27.8
|
1.0
|
C17
|
A:G51301
|
4.6
|
63.2
|
1.0
|
CG
|
A:GLN103
|
4.8
|
23.7
|
1.0
|
C1
|
A:G51301
|
4.8
|
63.2
|
1.0
|
N6
|
A:G51301
|
4.9
|
63.2
|
1.0
|
CG
|
A:ASP131
|
4.9
|
16.4
|
1.0
|
|
Fluorine binding site 2 out
of 9 in 5duc
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Fluorine Binding Sites List in 5duc
Fluorine binding site 2 out
of 9 in the Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F301
b:63.2
occ:1.00
|
F56
|
A:G51301
|
0.0
|
63.2
|
1.0
|
C13
|
A:G51301
|
1.3
|
63.2
|
1.0
|
F57
|
A:G51301
|
2.2
|
63.2
|
1.0
|
F58
|
A:G51301
|
2.2
|
63.2
|
1.0
|
C3
|
A:G51301
|
2.3
|
63.2
|
1.0
|
H3
|
A:G51301
|
2.5
|
27.8
|
1.0
|
H21
|
A:G51301
|
2.8
|
27.8
|
1.0
|
O
|
A:HOH416
|
2.9
|
15.9
|
1.0
|
C2
|
A:G51301
|
2.9
|
63.2
|
1.0
|
NE2
|
A:HIS79
|
2.9
|
16.6
|
1.0
|
OE1
|
A:GLN103
|
3.0
|
25.1
|
1.0
|
H22
|
A:G51301
|
3.0
|
27.8
|
1.0
|
CD
|
A:GLN103
|
3.3
|
24.5
|
1.0
|
CD2
|
A:HIS79
|
3.4
|
17.2
|
1.0
|
CE1
|
A:HIS79
|
3.5
|
15.7
|
1.0
|
N4
|
A:G51301
|
3.5
|
63.2
|
1.0
|
NE2
|
A:GLN103
|
3.7
|
24.6
|
1.0
|
CD2
|
A:LEU75
|
3.8
|
23.9
|
1.0
|
CG
|
A:LEU75
|
3.8
|
24.1
|
1.0
|
CB
|
A:GLN103
|
3.9
|
23.7
|
1.0
|
N19
|
A:G51301
|
4.0
|
63.2
|
1.0
|
CG
|
A:HIS79
|
4.1
|
16.7
|
1.0
|
ND1
|
A:HIS79
|
4.1
|
15.8
|
1.0
|
CG
|
A:GLN103
|
4.1
|
23.7
|
1.0
|
CD1
|
A:LEU75
|
4.3
|
23.9
|
1.0
|
C1
|
A:G51301
|
4.3
|
63.2
|
1.0
|
H1
|
A:G51301
|
4.6
|
27.8
|
1.0
|
C5
|
A:G51301
|
4.7
|
63.2
|
1.0
|
|
Fluorine binding site 3 out
of 9 in 5duc
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Fluorine Binding Sites List in 5duc
Fluorine binding site 3 out
of 9 in the Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F301
b:63.2
occ:1.00
|
F58
|
A:G51301
|
0.0
|
63.2
|
1.0
|
C13
|
A:G51301
|
1.3
|
63.2
|
1.0
|
F57
|
A:G51301
|
2.1
|
63.2
|
1.0
|
F56
|
A:G51301
|
2.2
|
63.2
|
1.0
|
C3
|
A:G51301
|
2.3
|
63.2
|
1.0
|
H22
|
A:G51301
|
2.5
|
27.8
|
1.0
|
N4
|
A:G51301
|
2.7
|
63.2
|
1.0
|
C2
|
A:G51301
|
2.9
|
63.2
|
1.0
|
N19
|
A:G51301
|
3.0
|
63.2
|
1.0
|
CG
|
A:LEU75
|
3.2
|
24.1
|
1.0
|
H3
|
A:G51301
|
3.3
|
27.8
|
1.0
|
CD2
|
A:LEU75
|
3.4
|
23.9
|
1.0
|
H21
|
A:G51301
|
3.5
|
27.8
|
1.0
|
C5
|
A:G51301
|
3.6
|
63.2
|
1.0
|
CB
|
A:LEU75
|
4.0
|
25.4
|
1.0
|
CD2
|
A:HIS79
|
4.0
|
17.2
|
1.0
|
C
|
A:LEU75
|
4.1
|
25.1
|
1.0
|
C18
|
A:G51301
|
4.1
|
63.2
|
1.0
|
N
|
A:ILE76
|
4.1
|
29.8
|
1.0
|
C1
|
A:G51301
|
4.1
|
63.2
|
1.0
|
O
|
A:LEU75
|
4.1
|
24.3
|
1.0
|
CG1
|
A:ILE76
|
4.2
|
29.3
|
1.0
|
NE2
|
A:HIS79
|
4.2
|
16.6
|
1.0
|
N6
|
A:G51301
|
4.2
|
63.2
|
1.0
|
CA
|
A:ILE76
|
4.3
|
29.3
|
1.0
|
CD1
|
A:LEU75
|
4.3
|
23.9
|
1.0
|
C17
|
A:G51301
|
4.4
|
63.2
|
1.0
|
O
|
A:HOH416
|
4.5
|
15.9
|
1.0
|
CG
|
A:HIS79
|
4.6
|
16.7
|
1.0
|
CA
|
A:LEU75
|
4.7
|
25.9
|
1.0
|
OE1
|
A:GLN103
|
4.7
|
25.1
|
1.0
|
H1
|
A:G51301
|
4.8
|
27.8
|
1.0
|
H18
|
A:G51301
|
4.8
|
27.8
|
1.0
|
H12
|
A:G51301
|
4.8
|
27.8
|
1.0
|
CB
|
A:ILE76
|
4.9
|
30.0
|
1.0
|
CE1
|
A:HIS79
|
5.0
|
15.7
|
1.0
|
O
|
A:PRO72
|
5.0
|
31.3
|
1.0
|
|
Fluorine binding site 4 out
of 9 in 5duc
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Fluorine Binding Sites List in 5duc
Fluorine binding site 4 out
of 9 in the Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F301
b:54.8
occ:1.00
|
F57
|
B:G51301
|
0.0
|
54.8
|
1.0
|
C13
|
B:G51301
|
1.3
|
54.8
|
1.0
|
F58
|
B:G51301
|
2.1
|
54.8
|
1.0
|
F56
|
B:G51301
|
2.2
|
54.8
|
1.0
|
C3
|
B:G51301
|
2.3
|
54.8
|
1.0
|
N19
|
B:G51301
|
2.4
|
54.8
|
1.0
|
H3
|
B:G51301
|
2.6
|
27.8
|
1.0
|
N4
|
B:G51301
|
2.7
|
54.8
|
1.0
|
OE1
|
B:GLN103
|
3.2
|
22.9
|
1.0
|
NE2
|
B:GLN103
|
3.4
|
22.0
|
1.0
|
CD
|
B:GLN103
|
3.6
|
22.1
|
1.0
|
CD2
|
B:LEU75
|
3.6
|
33.7
|
1.0
|
C2
|
B:G51301
|
3.7
|
54.8
|
1.0
|
C18
|
B:G51301
|
3.8
|
54.8
|
1.0
|
H22
|
B:G51301
|
3.9
|
27.8
|
1.0
|
OD1
|
B:ASP131
|
3.9
|
21.8
|
1.0
|
C5
|
B:G51301
|
4.0
|
54.8
|
1.0
|
H21
|
B:G51301
|
4.1
|
27.8
|
1.0
|
H18
|
B:G51301
|
4.4
|
27.8
|
1.0
|
CG
|
B:LEU75
|
4.5
|
34.5
|
1.0
|
C17
|
B:G51301
|
4.6
|
54.8
|
1.0
|
O
|
B:HOH409
|
4.6
|
13.8
|
1.0
|
CG
|
B:ASP131
|
4.7
|
21.9
|
1.0
|
C1
|
B:G51301
|
4.8
|
54.8
|
1.0
|
CG
|
B:GLN103
|
4.9
|
21.4
|
1.0
|
N6
|
B:G51301
|
4.9
|
54.8
|
1.0
|
|
Fluorine binding site 5 out
of 9 in 5duc
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Fluorine Binding Sites List in 5duc
Fluorine binding site 5 out
of 9 in the Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F301
b:54.8
occ:1.00
|
F56
|
B:G51301
|
0.0
|
54.8
|
1.0
|
C13
|
B:G51301
|
1.3
|
54.8
|
1.0
|
F57
|
B:G51301
|
2.2
|
54.8
|
1.0
|
F58
|
B:G51301
|
2.2
|
54.8
|
1.0
|
C3
|
B:G51301
|
2.3
|
54.8
|
1.0
|
H3
|
B:G51301
|
2.6
|
27.8
|
1.0
|
H21
|
B:G51301
|
2.8
|
27.8
|
1.0
|
C2
|
B:G51301
|
2.9
|
54.8
|
1.0
|
OE1
|
B:GLN103
|
2.9
|
22.9
|
1.0
|
H22
|
B:G51301
|
3.0
|
27.8
|
1.0
|
NE2
|
B:HIS79
|
3.0
|
19.1
|
1.0
|
O
|
B:HOH409
|
3.2
|
13.8
|
1.0
|
CD
|
B:GLN103
|
3.3
|
22.1
|
1.0
|
CD2
|
B:HIS79
|
3.4
|
20.1
|
1.0
|
N4
|
B:G51301
|
3.6
|
54.8
|
1.0
|
CE1
|
B:HIS79
|
3.7
|
18.3
|
1.0
|
CD2
|
B:LEU75
|
3.7
|
33.7
|
1.0
|
NE2
|
B:GLN103
|
3.8
|
22.0
|
1.0
|
CB
|
B:GLN103
|
3.9
|
21.8
|
1.0
|
CG
|
B:LEU75
|
4.0
|
34.5
|
1.0
|
N19
|
B:G51301
|
4.1
|
54.8
|
1.0
|
CG
|
B:HIS79
|
4.1
|
19.8
|
1.0
|
CG
|
B:GLN103
|
4.1
|
21.4
|
1.0
|
ND1
|
B:HIS79
|
4.3
|
18.6
|
1.0
|
C1
|
B:G51301
|
4.4
|
54.8
|
1.0
|
C5
|
B:G51301
|
4.7
|
54.8
|
1.0
|
H1
|
B:G51301
|
4.7
|
27.8
|
1.0
|
O
|
B:LEU75
|
4.8
|
35.3
|
1.0
|
CD1
|
B:LEU75
|
4.9
|
34.7
|
1.0
|
OD1
|
B:ASP131
|
4.9
|
21.8
|
1.0
|
|
Fluorine binding site 6 out
of 9 in 5duc
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Fluorine Binding Sites List in 5duc
Fluorine binding site 6 out
of 9 in the Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F301
b:54.8
occ:1.00
|
F58
|
B:G51301
|
0.0
|
54.8
|
1.0
|
C13
|
B:G51301
|
1.3
|
54.8
|
1.0
|
F57
|
B:G51301
|
2.1
|
54.8
|
1.0
|
F56
|
B:G51301
|
2.2
|
54.8
|
1.0
|
C3
|
B:G51301
|
2.3
|
54.8
|
1.0
|
H22
|
B:G51301
|
2.4
|
27.8
|
1.0
|
N4
|
B:G51301
|
2.7
|
54.8
|
1.0
|
C2
|
B:G51301
|
2.8
|
54.8
|
1.0
|
N19
|
B:G51301
|
3.1
|
54.8
|
1.0
|
H3
|
B:G51301
|
3.3
|
27.8
|
1.0
|
H21
|
B:G51301
|
3.5
|
27.8
|
1.0
|
C5
|
B:G51301
|
3.5
|
54.8
|
1.0
|
CD2
|
B:LEU75
|
3.6
|
33.7
|
1.0
|
CG
|
B:LEU75
|
3.6
|
34.5
|
1.0
|
O
|
B:LEU75
|
3.9
|
35.3
|
1.0
|
CD2
|
B:HIS79
|
4.0
|
20.1
|
1.0
|
C1
|
B:G51301
|
4.1
|
54.8
|
1.0
|
C18
|
B:G51301
|
4.1
|
54.8
|
1.0
|
C
|
B:LEU75
|
4.1
|
36.2
|
1.0
|
CB
|
B:LEU75
|
4.1
|
35.9
|
1.0
|
CG1
|
B:ILE76
|
4.1
|
33.2
|
1.0
|
N6
|
B:G51301
|
4.1
|
54.8
|
1.0
|
N
|
B:ILE76
|
4.2
|
34.0
|
1.0
|
C17
|
B:G51301
|
4.3
|
54.8
|
1.0
|
CA
|
B:ILE76
|
4.4
|
33.6
|
1.0
|
NE2
|
B:HIS79
|
4.4
|
19.1
|
1.0
|
CG
|
B:HIS79
|
4.7
|
19.8
|
1.0
|
OE1
|
B:GLN103
|
4.7
|
22.9
|
1.0
|
H12
|
B:G51301
|
4.7
|
27.8
|
1.0
|
H1
|
B:G51301
|
4.7
|
27.8
|
1.0
|
CA
|
B:LEU75
|
4.7
|
36.9
|
1.0
|
H18
|
B:G51301
|
4.8
|
27.8
|
1.0
|
CB
|
B:ILE76
|
4.9
|
34.2
|
1.0
|
HN6
|
B:G51301
|
5.0
|
27.8
|
1.0
|
O
|
B:HOH409
|
5.0
|
13.8
|
1.0
|
C7
|
B:G51301
|
5.0
|
54.8
|
1.0
|
CD1
|
B:LEU75
|
5.0
|
34.7
|
1.0
|
|
Fluorine binding site 7 out
of 9 in 5duc
Go back to
Fluorine Binding Sites List in 5duc
Fluorine binding site 7 out
of 9 in the Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:54.7
occ:1.00
|
F57
|
C:G51301
|
0.0
|
54.7
|
1.0
|
C13
|
C:G51301
|
1.3
|
54.7
|
1.0
|
F58
|
C:G51301
|
2.1
|
54.7
|
1.0
|
F56
|
C:G51301
|
2.2
|
54.7
|
1.0
|
C3
|
C:G51301
|
2.3
|
54.7
|
1.0
|
N19
|
C:G51301
|
2.5
|
54.7
|
1.0
|
H3
|
C:G51301
|
2.7
|
27.8
|
1.0
|
N4
|
C:G51301
|
2.7
|
54.7
|
1.0
|
OE1
|
C:GLN103
|
3.2
|
23.1
|
1.0
|
NE2
|
C:GLN103
|
3.4
|
22.4
|
1.0
|
CD
|
C:GLN103
|
3.6
|
22.4
|
1.0
|
C2
|
C:G51301
|
3.7
|
54.7
|
1.0
|
C18
|
C:G51301
|
3.8
|
54.7
|
1.0
|
H22
|
C:G51301
|
3.8
|
27.8
|
1.0
|
C5
|
C:G51301
|
4.0
|
54.7
|
1.0
|
CD2
|
C:LEU75
|
4.0
|
20.4
|
1.0
|
CG
|
C:LEU75
|
4.1
|
20.3
|
1.0
|
H21
|
C:G51301
|
4.1
|
27.8
|
1.0
|
OD1
|
C:ASP131
|
4.4
|
16.2
|
1.0
|
H18
|
C:G51301
|
4.4
|
27.8
|
1.0
|
CB
|
C:LEU75
|
4.4
|
21.0
|
1.0
|
C17
|
C:G51301
|
4.6
|
54.7
|
1.0
|
C1
|
C:G51301
|
4.8
|
54.7
|
1.0
|
O
|
C:HOH417
|
4.8
|
12.5
|
1.0
|
N6
|
C:G51301
|
4.9
|
54.7
|
1.0
|
CG
|
C:GLN103
|
5.0
|
21.8
|
1.0
|
|
Fluorine binding site 8 out
of 9 in 5duc
Go back to
Fluorine Binding Sites List in 5duc
Fluorine binding site 8 out
of 9 in the Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:54.7
occ:1.00
|
F56
|
C:G51301
|
0.0
|
54.7
|
1.0
|
C13
|
C:G51301
|
1.3
|
54.7
|
1.0
|
F57
|
C:G51301
|
2.2
|
54.7
|
1.0
|
F58
|
C:G51301
|
2.2
|
54.7
|
1.0
|
C3
|
C:G51301
|
2.3
|
54.7
|
1.0
|
H3
|
C:G51301
|
2.5
|
27.8
|
1.0
|
H21
|
C:G51301
|
2.8
|
27.8
|
1.0
|
OE1
|
C:GLN103
|
2.9
|
23.1
|
1.0
|
C2
|
C:G51301
|
2.9
|
54.7
|
1.0
|
NE2
|
C:HIS79
|
2.9
|
19.6
|
1.0
|
H22
|
C:G51301
|
3.0
|
27.8
|
1.0
|
CD2
|
C:HIS79
|
3.1
|
20.1
|
1.0
|
CD
|
C:GLN103
|
3.2
|
22.4
|
1.0
|
O
|
C:HOH417
|
3.4
|
12.5
|
1.0
|
N4
|
C:G51301
|
3.6
|
54.7
|
1.0
|
NE2
|
C:GLN103
|
3.7
|
22.4
|
1.0
|
CE1
|
C:HIS79
|
3.8
|
18.9
|
1.0
|
CB
|
C:GLN103
|
3.9
|
21.9
|
1.0
|
CG
|
C:LEU75
|
3.9
|
20.3
|
1.0
|
CG
|
C:GLN103
|
4.1
|
21.8
|
1.0
|
CG
|
C:HIS79
|
4.1
|
19.7
|
1.0
|
N19
|
C:G51301
|
4.1
|
54.7
|
1.0
|
CD2
|
C:LEU75
|
4.3
|
20.4
|
1.0
|
ND1
|
C:HIS79
|
4.4
|
19.0
|
1.0
|
C1
|
C:G51301
|
4.4
|
54.7
|
1.0
|
O
|
C:LEU75
|
4.6
|
20.1
|
1.0
|
CB
|
C:LEU75
|
4.6
|
21.0
|
1.0
|
H1
|
C:G51301
|
4.7
|
27.8
|
1.0
|
C5
|
C:G51301
|
4.7
|
54.7
|
1.0
|
CD1
|
C:LEU75
|
4.8
|
20.6
|
1.0
|
C
|
C:LEU75
|
4.9
|
20.7
|
1.0
|
|
Fluorine binding site 9 out
of 9 in 5duc
Go back to
Fluorine Binding Sites List in 5duc
Fluorine binding site 9 out
of 9 in the Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Crystal Structure of M. Tuberculosis ECHA6 Bound to Ligand GSK951A within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F301
b:54.7
occ:1.00
|
F58
|
C:G51301
|
0.0
|
54.7
|
1.0
|
C13
|
C:G51301
|
1.3
|
54.7
|
1.0
|
F57
|
C:G51301
|
2.1
|
54.7
|
1.0
|
F56
|
C:G51301
|
2.2
|
54.7
|
1.0
|
C3
|
C:G51301
|
2.3
|
54.7
|
1.0
|
H22
|
C:G51301
|
2.4
|
27.8
|
1.0
|
N4
|
C:G51301
|
2.8
|
54.7
|
1.0
|
C2
|
C:G51301
|
2.8
|
54.7
|
1.0
|
N19
|
C:G51301
|
3.2
|
54.7
|
1.0
|
H3
|
C:G51301
|
3.3
|
27.8
|
1.0
|
H21
|
C:G51301
|
3.4
|
27.8
|
1.0
|
C
|
C:LEU75
|
3.4
|
20.7
|
1.0
|
CB
|
C:LEU75
|
3.5
|
21.0
|
1.0
|
N
|
C:ILE76
|
3.5
|
21.9
|
1.0
|
CG
|
C:LEU75
|
3.6
|
20.3
|
1.0
|
O
|
C:LEU75
|
3.6
|
20.1
|
1.0
|
CD2
|
C:HIS79
|
3.7
|
20.1
|
1.0
|
C5
|
C:G51301
|
3.7
|
54.7
|
1.0
|
CA
|
C:ILE76
|
3.8
|
21.4
|
1.0
|
CG1
|
C:ILE76
|
3.9
|
21.5
|
1.0
|
CA
|
C:LEU75
|
4.1
|
21.4
|
1.0
|
C1
|
C:G51301
|
4.1
|
54.7
|
1.0
|
NE2
|
C:HIS79
|
4.2
|
19.6
|
1.0
|
N6
|
C:G51301
|
4.2
|
54.7
|
1.0
|
C18
|
C:G51301
|
4.2
|
54.7
|
1.0
|
CD2
|
C:LEU75
|
4.3
|
20.4
|
1.0
|
CG
|
C:HIS79
|
4.5
|
19.7
|
1.0
|
CB
|
C:ILE76
|
4.5
|
21.9
|
1.0
|
C17
|
C:G51301
|
4.5
|
54.7
|
1.0
|
O
|
C:PRO72
|
4.6
|
22.6
|
1.0
|
OE1
|
C:GLN103
|
4.6
|
23.1
|
1.0
|
CD1
|
C:LEU75
|
4.8
|
20.6
|
1.0
|
H1
|
C:G51301
|
4.8
|
27.8
|
1.0
|
H12
|
C:G51301
|
4.8
|
27.8
|
1.0
|
|
Reference:
J.A.Cox,
K.A.Abrahams,
C.Alemparte,
S.Ghidelli-Disse,
J.Rullas,
I.Angulo-Barturen,
A.Singh,
S.S.Gurcha,
V.Nataraj,
S.Bethell,
M.J.Remuinan,
L.Encinas,
P.J.Jervis,
N.C.Cammack,
A.Bhatt,
U.Kruse,
M.Bantscheff,
K.Futterer,
D.Barros,
L.Ballell,
G.Drewes,
G.S.Besra.
Thpp Target Assignment Reveals ECHA6 As An Essential Fatty Acid Shuttle in Mycobacteria. Nat Microbiol V. 1 15006 2016.
ISSN: ESSN 2058-5276
PubMed: 27571973
DOI: 10.1038/NMICROBIOL.2015.6
Page generated: Thu Aug 1 08:53:40 2024
|