Fluorine in PDB 7nos: Crystal Structure of Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole.
Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole.
All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole.:
2.1.3.3;
Protein crystallography data
The structure of Crystal Structure of Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole., PDB code: 7nos
was solved by
V.Mendes,
P.Gupta,
A.Burgess,
V.Sebastian-Perez,
E.Cattermole,
C.Meghir,
T.L.Blundell,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
53.91 /
1.77
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
91.995,
143.606,
97.815,
90,
117.48,
90
|
R / Rfree (%)
|
17 /
19.2
|
Other elements in 7nos:
The structure of Crystal Structure of Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole. also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole.
(pdb code 7nos). 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 Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole., PDB code: 7nos:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Fluorine binding site 1 out
of 9 in 7nos
Go back to
Fluorine Binding Sites List in 7nos
Fluorine binding site 1 out
of 9 in the Crystal Structure of Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole.
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 Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F403
b:53.9
occ:1.00
|
F12
|
A:UJZ403
|
0.0
|
53.9
|
1.0
|
C11
|
A:UJZ403
|
1.3
|
48.8
|
1.0
|
F14
|
A:UJZ403
|
2.1
|
52.3
|
1.0
|
F13
|
A:UJZ403
|
2.2
|
49.4
|
1.0
|
C04
|
A:UJZ403
|
2.4
|
55.3
|
1.0
|
C05
|
A:UJZ403
|
2.7
|
56.5
|
1.0
|
CG1
|
A:VAL90
|
3.1
|
40.3
|
1.0
|
NH2
|
C:ARG52
|
3.2
|
49.2
|
1.0
|
CB
|
C:ARG52
|
3.3
|
49.2
|
1.0
|
C03
|
A:UJZ403
|
3.7
|
50.4
|
1.0
|
CZ
|
C:ARG52
|
3.7
|
51.1
|
1.0
|
CB
|
A:VAL90
|
3.8
|
40.4
|
1.0
|
CA
|
C:ARG52
|
3.9
|
45.4
|
1.0
|
O
|
A:HOH551
|
3.9
|
56.8
|
1.0
|
C06
|
A:UJZ403
|
4.1
|
65.0
|
1.0
|
NH1
|
C:ARG52
|
4.1
|
45.5
|
1.0
|
CE2
|
A:TYR94
|
4.2
|
37.1
|
1.0
|
NE
|
C:ARG52
|
4.4
|
44.1
|
1.0
|
N
|
C:ARG52
|
4.4
|
42.9
|
1.0
|
CG
|
C:ARG52
|
4.6
|
50.5
|
1.0
|
O4
|
C:PO4402
|
4.6
|
82.5
|
1.0
|
CG2
|
A:VAL90
|
4.6
|
42.5
|
1.0
|
CD
|
C:ARG52
|
4.7
|
54.2
|
1.0
|
CD2
|
A:TYR94
|
4.7
|
36.5
|
1.0
|
C02
|
A:UJZ403
|
4.8
|
60.6
|
1.0
|
OE1
|
A:GLU82
|
4.8
|
52.1
|
1.0
|
|
Fluorine binding site 2 out
of 9 in 7nos
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Fluorine Binding Sites List in 7nos
Fluorine binding site 2 out
of 9 in the Crystal Structure of Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole.
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 Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F403
b:49.4
occ:1.00
|
F13
|
A:UJZ403
|
0.0
|
49.4
|
1.0
|
C11
|
A:UJZ403
|
1.3
|
48.8
|
1.0
|
F14
|
A:UJZ403
|
2.1
|
52.3
|
1.0
|
F12
|
A:UJZ403
|
2.2
|
53.9
|
1.0
|
C04
|
A:UJZ403
|
2.4
|
55.3
|
1.0
|
C03
|
A:UJZ403
|
3.0
|
50.4
|
1.0
|
CG1
|
A:VAL90
|
3.4
|
40.3
|
1.0
|
CD2
|
A:LEU91
|
3.5
|
38.5
|
1.0
|
C05
|
A:UJZ403
|
3.5
|
56.5
|
1.0
|
CG
|
A:LEU91
|
3.5
|
38.3
|
1.0
|
N
|
A:LEU91
|
3.5
|
32.1
|
1.0
|
CB
|
A:VAL90
|
3.8
|
40.4
|
1.0
|
CA
|
A:LEU91
|
3.9
|
32.5
|
1.0
|
C
|
A:VAL90
|
3.9
|
33.0
|
1.0
|
O
|
A:THR87
|
4.0
|
39.1
|
1.0
|
CD2
|
A:TYR94
|
4.1
|
36.5
|
1.0
|
CB
|
A:LEU91
|
4.2
|
33.3
|
1.0
|
CE2
|
A:TYR94
|
4.3
|
37.1
|
1.0
|
C02
|
A:UJZ403
|
4.3
|
60.6
|
1.0
|
O
|
A:VAL90
|
4.4
|
35.7
|
1.0
|
CA
|
A:VAL90
|
4.5
|
34.2
|
1.0
|
C06
|
A:UJZ403
|
4.7
|
65.0
|
1.0
|
CD1
|
A:LEU91
|
4.7
|
32.5
|
1.0
|
CG2
|
A:THR87
|
4.8
|
43.8
|
1.0
|
CD1
|
C:PHE55
|
4.9
|
36.2
|
1.0
|
CG
|
C:PHE55
|
4.9
|
34.7
|
1.0
|
O
|
A:HOH551
|
5.0
|
56.8
|
1.0
|
|
Fluorine binding site 3 out
of 9 in 7nos
Go back to
Fluorine Binding Sites List in 7nos
Fluorine binding site 3 out
of 9 in the Crystal Structure of Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole.
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 Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F403
b:52.3
occ:1.00
|
F14
|
A:UJZ403
|
0.0
|
52.3
|
1.0
|
C11
|
A:UJZ403
|
1.4
|
48.8
|
1.0
|
F13
|
A:UJZ403
|
2.1
|
49.4
|
1.0
|
F12
|
A:UJZ403
|
2.1
|
53.9
|
1.0
|
C04
|
A:UJZ403
|
2.4
|
55.3
|
1.0
|
C03
|
A:UJZ403
|
3.0
|
50.4
|
1.0
|
CA
|
C:ARG52
|
3.4
|
45.4
|
1.0
|
CD1
|
C:PHE55
|
3.4
|
36.2
|
1.0
|
C05
|
A:UJZ403
|
3.5
|
56.5
|
1.0
|
CG
|
C:PHE55
|
3.6
|
34.7
|
1.0
|
CB
|
C:ARG52
|
3.7
|
49.2
|
1.0
|
CB
|
C:PHE55
|
3.8
|
35.5
|
1.0
|
CE2
|
A:TYR94
|
3.9
|
37.1
|
1.0
|
N
|
C:ARG52
|
3.9
|
42.9
|
1.0
|
CD2
|
A:TYR94
|
4.0
|
36.5
|
1.0
|
O
|
C:THR51
|
4.0
|
41.0
|
1.0
|
CE1
|
C:PHE55
|
4.0
|
35.8
|
1.0
|
C
|
C:THR51
|
4.2
|
48.3
|
1.0
|
CG2
|
C:THR51
|
4.2
|
55.2
|
1.0
|
C02
|
A:UJZ403
|
4.3
|
60.6
|
1.0
|
CG1
|
A:VAL90
|
4.4
|
40.3
|
1.0
|
CD2
|
C:PHE55
|
4.4
|
36.0
|
1.0
|
CD2
|
A:LEU91
|
4.6
|
38.5
|
1.0
|
C
|
C:ARG52
|
4.6
|
36.4
|
1.0
|
C06
|
A:UJZ403
|
4.6
|
65.0
|
1.0
|
O
|
C:ARG52
|
4.7
|
39.9
|
1.0
|
CZ
|
C:PHE55
|
4.8
|
35.9
|
1.0
|
CE2
|
C:PHE55
|
4.9
|
31.9
|
1.0
|
|
Fluorine binding site 4 out
of 9 in 7nos
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Fluorine Binding Sites List in 7nos
Fluorine binding site 4 out
of 9 in the Crystal Structure of Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole.
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 Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F602
b:58.5
occ:1.00
|
F12
|
D:UJZ602
|
0.0
|
58.5
|
1.0
|
C11
|
D:UJZ602
|
1.4
|
55.8
|
1.0
|
F14
|
D:UJZ602
|
2.1
|
53.2
|
1.0
|
F13
|
D:UJZ602
|
2.2
|
58.0
|
1.0
|
C04
|
D:UJZ602
|
2.4
|
55.1
|
1.0
|
C05
|
D:UJZ602
|
2.7
|
59.5
|
1.0
|
NH2
|
F:ARG52
|
3.0
|
45.9
|
1.0
|
CG1
|
D:VAL90
|
3.2
|
38.7
|
1.0
|
CB
|
F:ARG52
|
3.3
|
50.3
|
1.0
|
CZ
|
F:ARG52
|
3.6
|
50.7
|
1.0
|
C03
|
D:UJZ602
|
3.7
|
53.8
|
1.0
|
O
|
D:HOH712
|
3.7
|
49.7
|
1.0
|
CA
|
F:ARG52
|
3.9
|
45.4
|
1.0
|
CB
|
D:VAL90
|
3.9
|
38.8
|
1.0
|
C06
|
D:UJZ602
|
4.0
|
65.8
|
1.0
|
NH1
|
F:ARG52
|
4.1
|
45.9
|
1.0
|
CE2
|
D:TYR94
|
4.2
|
39.0
|
1.0
|
NE
|
F:ARG52
|
4.3
|
44.8
|
1.0
|
O
|
F:HOH587
|
4.4
|
46.9
|
1.0
|
CG
|
F:ARG52
|
4.5
|
54.0
|
1.0
|
CD
|
F:ARG52
|
4.6
|
51.9
|
1.0
|
OE2
|
D:GLU82
|
4.7
|
56.5
|
1.0
|
N
|
F:ARG52
|
4.7
|
43.3
|
1.0
|
CD2
|
D:TYR94
|
4.7
|
37.3
|
1.0
|
CG2
|
D:VAL90
|
4.8
|
40.7
|
1.0
|
C02
|
D:UJZ602
|
4.8
|
64.6
|
1.0
|
C10
|
D:UJZ602
|
5.0
|
64.3
|
1.0
|
|
Fluorine binding site 5 out
of 9 in 7nos
Go back to
Fluorine Binding Sites List in 7nos
Fluorine binding site 5 out
of 9 in the Crystal Structure of Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole.
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 Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F602
b:58.0
occ:1.00
|
F13
|
D:UJZ602
|
0.0
|
58.0
|
1.0
|
C11
|
D:UJZ602
|
1.4
|
55.8
|
1.0
|
F14
|
D:UJZ602
|
2.2
|
53.2
|
1.0
|
F12
|
D:UJZ602
|
2.2
|
58.5
|
1.0
|
C04
|
D:UJZ602
|
2.4
|
55.1
|
1.0
|
C03
|
D:UJZ602
|
3.0
|
53.8
|
1.0
|
CG1
|
D:VAL90
|
3.3
|
38.7
|
1.0
|
CG
|
D:LEU91
|
3.4
|
41.3
|
1.0
|
N
|
D:LEU91
|
3.4
|
33.8
|
1.0
|
CD2
|
D:LEU91
|
3.4
|
36.9
|
1.0
|
C05
|
D:UJZ602
|
3.5
|
59.5
|
1.0
|
O
|
D:THR87
|
3.7
|
37.2
|
1.0
|
CB
|
D:VAL90
|
3.7
|
38.8
|
1.0
|
CA
|
D:LEU91
|
3.8
|
36.2
|
1.0
|
C
|
D:VAL90
|
3.9
|
38.1
|
1.0
|
CB
|
D:LEU91
|
4.1
|
37.1
|
1.0
|
CG2
|
D:THR87
|
4.2
|
46.5
|
1.0
|
C02
|
D:UJZ602
|
4.4
|
64.6
|
1.0
|
CA
|
D:VAL90
|
4.4
|
35.4
|
1.0
|
O
|
D:HOH712
|
4.4
|
49.7
|
1.0
|
CD2
|
D:TYR94
|
4.5
|
37.3
|
1.0
|
O
|
D:VAL90
|
4.6
|
34.8
|
1.0
|
CD1
|
D:LEU91
|
4.6
|
37.6
|
1.0
|
CE2
|
D:TYR94
|
4.6
|
39.0
|
1.0
|
C
|
D:THR87
|
4.6
|
39.7
|
1.0
|
C06
|
D:UJZ602
|
4.6
|
65.8
|
1.0
|
CA
|
D:THR87
|
4.7
|
40.8
|
1.0
|
NH2
|
F:ARG52
|
4.9
|
45.9
|
1.0
|
CG2
|
D:VAL90
|
5.0
|
40.7
|
1.0
|
|
Fluorine binding site 6 out
of 9 in 7nos
Go back to
Fluorine Binding Sites List in 7nos
Fluorine binding site 6 out
of 9 in the Crystal Structure of Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole.
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 Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F602
b:53.2
occ:1.00
|
F14
|
D:UJZ602
|
0.0
|
53.2
|
1.0
|
C11
|
D:UJZ602
|
1.4
|
55.8
|
1.0
|
F12
|
D:UJZ602
|
2.1
|
58.5
|
1.0
|
F13
|
D:UJZ602
|
2.2
|
58.0
|
1.0
|
C04
|
D:UJZ602
|
2.4
|
55.1
|
1.0
|
C03
|
D:UJZ602
|
3.0
|
53.8
|
1.0
|
C05
|
D:UJZ602
|
3.5
|
59.5
|
1.0
|
CD1
|
F:PHE55
|
3.6
|
39.7
|
1.0
|
CE2
|
D:TYR94
|
3.7
|
39.0
|
1.0
|
CA
|
F:ARG52
|
3.7
|
45.4
|
1.0
|
CD2
|
D:TYR94
|
3.7
|
37.3
|
1.0
|
CG
|
F:PHE55
|
3.7
|
33.9
|
1.0
|
CB
|
F:PHE55
|
3.9
|
39.0
|
1.0
|
CB
|
F:ARG52
|
3.9
|
50.3
|
1.0
|
CD2
|
D:LEU91
|
4.1
|
36.9
|
1.0
|
CG1
|
D:VAL90
|
4.2
|
38.7
|
1.0
|
CE1
|
F:PHE55
|
4.2
|
39.4
|
1.0
|
C02
|
D:UJZ602
|
4.4
|
64.6
|
1.0
|
CD2
|
F:PHE55
|
4.4
|
39.4
|
1.0
|
N
|
F:ARG52
|
4.4
|
43.3
|
1.0
|
O
|
F:THR51
|
4.5
|
38.5
|
1.0
|
C06
|
D:UJZ602
|
4.6
|
65.8
|
1.0
|
C
|
F:THR51
|
4.7
|
44.2
|
1.0
|
O
|
F:ARG52
|
4.7
|
37.4
|
1.0
|
CG
|
D:LEU91
|
4.7
|
41.3
|
1.0
|
C
|
F:ARG52
|
4.7
|
41.4
|
1.0
|
CZ
|
F:PHE55
|
4.9
|
36.5
|
1.0
|
CG2
|
F:THR51
|
4.9
|
54.2
|
1.0
|
CE2
|
F:PHE55
|
4.9
|
34.2
|
1.0
|
|
Fluorine binding site 7 out
of 9 in 7nos
Go back to
Fluorine Binding Sites List in 7nos
Fluorine binding site 7 out
of 9 in the Crystal Structure of Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole.
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 Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:F401
b:63.6
occ:1.00
|
F12
|
F:UJZ401
|
0.0
|
63.6
|
1.0
|
C11
|
F:UJZ401
|
1.4
|
62.4
|
1.0
|
F14
|
F:UJZ401
|
2.1
|
59.9
|
1.0
|
F13
|
F:UJZ401
|
2.2
|
62.1
|
1.0
|
C04
|
F:UJZ401
|
2.4
|
63.5
|
1.0
|
C05
|
F:UJZ401
|
2.9
|
69.0
|
1.0
|
O
|
E:HOH679
|
3.0
|
55.4
|
1.0
|
NH2
|
E:ARG52
|
3.2
|
51.5
|
1.0
|
CG1
|
F:VAL90
|
3.4
|
40.1
|
1.0
|
CZ
|
E:ARG52
|
3.4
|
58.6
|
1.0
|
C03
|
F:UJZ401
|
3.6
|
64.4
|
1.0
|
CG
|
E:ARG52
|
3.7
|
55.9
|
1.0
|
NH1
|
E:ARG52
|
3.9
|
55.4
|
1.0
|
NE
|
E:ARG52
|
3.9
|
52.9
|
1.0
|
CB
|
F:VAL90
|
4.1
|
40.0
|
1.0
|
CD
|
E:ARG52
|
4.2
|
49.3
|
1.0
|
CB
|
E:ARG52
|
4.3
|
44.4
|
1.0
|
C06
|
F:UJZ401
|
4.3
|
74.3
|
1.0
|
CA
|
E:ARG52
|
4.6
|
40.3
|
1.0
|
CG2
|
F:VAL90
|
4.8
|
41.8
|
1.0
|
OE2
|
F:GLU82
|
4.8
|
57.8
|
1.0
|
C02
|
F:UJZ401
|
4.9
|
74.9
|
1.0
|
|
Fluorine binding site 8 out
of 9 in 7nos
Go back to
Fluorine Binding Sites List in 7nos
Fluorine binding site 8 out
of 9 in the Crystal Structure of Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole.
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 Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:F401
b:62.1
occ:1.00
|
F13
|
F:UJZ401
|
0.0
|
62.1
|
1.0
|
C11
|
F:UJZ401
|
1.4
|
62.4
|
1.0
|
F14
|
F:UJZ401
|
2.1
|
59.9
|
1.0
|
F12
|
F:UJZ401
|
2.2
|
63.6
|
1.0
|
C04
|
F:UJZ401
|
2.4
|
63.5
|
1.0
|
C03
|
F:UJZ401
|
2.8
|
64.4
|
1.0
|
CD2
|
F:LEU91
|
3.4
|
41.8
|
1.0
|
O
|
E:HOH679
|
3.4
|
55.4
|
1.0
|
CG
|
F:LEU91
|
3.5
|
43.9
|
1.0
|
C05
|
F:UJZ401
|
3.6
|
69.0
|
1.0
|
CG1
|
F:VAL90
|
3.8
|
40.1
|
1.0
|
N
|
F:LEU91
|
4.0
|
36.1
|
1.0
|
O
|
F:THR87
|
4.1
|
40.5
|
1.0
|
CB
|
F:VAL90
|
4.1
|
40.0
|
1.0
|
C02
|
F:UJZ401
|
4.1
|
74.9
|
1.0
|
CA
|
F:LEU91
|
4.2
|
36.9
|
1.0
|
CG2
|
F:THR87
|
4.3
|
47.3
|
1.0
|
CB
|
F:LEU91
|
4.4
|
36.3
|
1.0
|
C
|
F:VAL90
|
4.4
|
37.4
|
1.0
|
CD1
|
F:LEU91
|
4.6
|
38.5
|
1.0
|
C06
|
F:UJZ401
|
4.7
|
74.3
|
1.0
|
CA
|
F:VAL90
|
4.9
|
35.7
|
1.0
|
O
|
F:VAL90
|
4.9
|
35.1
|
1.0
|
C
|
F:THR87
|
4.9
|
39.7
|
1.0
|
C10
|
F:UJZ401
|
5.0
|
76.9
|
1.0
|
CA
|
F:THR87
|
5.0
|
39.8
|
1.0
|
|
Fluorine binding site 9 out
of 9 in 7nos
Go back to
Fluorine Binding Sites List in 7nos
Fluorine binding site 9 out
of 9 in the Crystal Structure of Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole.
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 Mycobacterium Tuberculosis Argf in Complex with 4-Bromo-6-(Trifluoromethyl)-1H-Benzo[D]Imidazole. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:F401
b:59.9
occ:1.00
|
F14
|
F:UJZ401
|
0.0
|
59.9
|
1.0
|
C11
|
F:UJZ401
|
1.4
|
62.4
|
1.0
|
F13
|
F:UJZ401
|
2.1
|
62.1
|
1.0
|
F12
|
F:UJZ401
|
2.1
|
63.6
|
1.0
|
O
|
E:HOH679
|
2.3
|
55.4
|
1.0
|
C04
|
F:UJZ401
|
2.4
|
63.5
|
1.0
|
C03
|
F:UJZ401
|
3.0
|
64.4
|
1.0
|
C05
|
F:UJZ401
|
3.4
|
69.0
|
1.0
|
CD2
|
E:PHE55
|
3.8
|
49.8
|
1.0
|
CG
|
E:PHE55
|
3.9
|
44.4
|
1.0
|
CB
|
E:PHE55
|
4.1
|
51.4
|
1.0
|
CA
|
E:ARG52
|
4.2
|
40.3
|
1.0
|
C02
|
F:UJZ401
|
4.3
|
74.9
|
1.0
|
CE2
|
E:PHE55
|
4.3
|
51.0
|
1.0
|
CD2
|
F:LEU91
|
4.4
|
41.8
|
1.0
|
CG
|
E:ARG52
|
4.4
|
55.9
|
1.0
|
CD1
|
E:PHE55
|
4.5
|
46.4
|
1.0
|
CB
|
E:ARG52
|
4.6
|
44.4
|
1.0
|
C06
|
F:UJZ401
|
4.6
|
74.3
|
1.0
|
CG1
|
F:VAL90
|
4.6
|
40.1
|
1.0
|
N
|
E:ARG52
|
4.8
|
41.7
|
1.0
|
O
|
E:THR51
|
4.9
|
39.4
|
1.0
|
CZ
|
E:PHE55
|
4.9
|
47.2
|
1.0
|
CG2
|
E:THR51
|
5.0
|
61.3
|
1.0
|
C10
|
F:UJZ401
|
5.0
|
76.9
|
1.0
|
CE1
|
E:PHE55
|
5.0
|
42.8
|
1.0
|
|
Reference:
P.Gupta,
S.E.Thomas,
S.A.Zaidan,
M.A.Pasillas,
J.Cory-Wright,
V.Sebastian-Perez,
A.Burgess,
E.Cattermole,
C.Meghir,
C.Abell,
A.G.Coyne,
W.R.Jacobs,
T.L.Blundell,
S.Tiwari,
V.Mendes.
A Fragment-Based Approach to Assess the Ligandability of Argb, Argc, Argd and Argf in the L-Arginine Biosynthetic Pathway of Mycobacterium Tuberculosis Comput Struct Biotechnol J V. 19 3491 2021.
ISSN: ESSN 2001-0370
DOI: 10.1016/J.CSBJ.2021.06.006
Page generated: Fri Aug 2 10:12:16 2024
|