Fluorine in PDB 6iw7: Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease
Enzymatic activity of Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease
All present enzymatic activity of Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease:
3.4.21.92;
Protein crystallography data
The structure of Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease, PDB code: 6iw7
was solved by
R.Bao,
Y.Z.Luo,
Y.B.Zhu,
Y.Yang,
Y.Z.Zhou,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.70 /
2.69
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
210.634,
180.780,
95.926,
90.00,
95.72,
90.00
|
R / Rfree (%)
|
20 /
24.3
|
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease
(pdb code 6iw7). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 7 binding sites of Fluorine where determined in the
Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease, PDB code: 6iw7:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
Fluorine binding site 1 out
of 7 in 6iw7
Go back to
Fluorine Binding Sites List in 6iw7
Fluorine binding site 1 out
of 7 in the Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F301
b:63.6
occ:1.00
|
F01
|
D:AV3301
|
0.0
|
63.6
|
1.0
|
C05
|
D:AV3301
|
1.3
|
60.5
|
1.0
|
C01
|
D:AV3301
|
2.3
|
59.8
|
1.0
|
C09
|
D:AV3301
|
2.4
|
54.3
|
1.0
|
CB
|
D:ARG119
|
2.6
|
43.9
|
1.0
|
CD
|
D:ARG119
|
2.8
|
53.0
|
1.0
|
O01
|
D:AV3301
|
2.8
|
52.2
|
1.0
|
H071
|
D:AV3301
|
2.8
|
73.9
|
1.0
|
C07
|
D:AV3301
|
3.0
|
61.5
|
1.0
|
CG
|
D:ARG119
|
3.1
|
51.1
|
1.0
|
N02
|
D:AV3301
|
3.6
|
47.8
|
1.0
|
C04
|
D:AV3301
|
3.6
|
57.9
|
1.0
|
C16
|
D:AV3301
|
3.6
|
50.9
|
1.0
|
C03
|
D:AV3301
|
3.7
|
50.3
|
1.0
|
O
|
D:GLY94
|
3.8
|
46.2
|
1.0
|
CA
|
D:ARG119
|
3.8
|
43.3
|
1.0
|
N
|
D:ARG119
|
3.9
|
44.3
|
1.0
|
NE
|
D:ARG119
|
4.0
|
57.1
|
1.0
|
C15
|
D:AV3301
|
4.1
|
52.9
|
1.0
|
C10
|
D:AV3301
|
4.2
|
64.3
|
1.0
|
O
|
D:HIS117
|
4.5
|
40.6
|
1.0
|
C
|
D:ALA118
|
4.5
|
42.9
|
1.0
|
H161
|
D:AV3301
|
4.5
|
61.3
|
1.0
|
N01
|
D:AV3301
|
4.5
|
62.7
|
1.0
|
CB
|
M:SER72
|
4.6
|
47.8
|
1.0
|
C14
|
D:AV3301
|
4.8
|
50.5
|
1.0
|
NH1
|
D:ARG119
|
4.8
|
56.9
|
1.0
|
CZ
|
D:ARG119
|
4.8
|
58.1
|
1.0
|
O
|
D:ALA118
|
4.9
|
51.7
|
1.0
|
C
|
D:ARG119
|
4.9
|
44.9
|
1.0
|
CZ3
|
D:TRP174
|
4.9
|
47.2
|
1.0
|
C
|
D:GLY94
|
4.9
|
45.2
|
1.0
|
CA
|
M:SER72
|
4.9
|
42.9
|
1.0
|
|
Fluorine binding site 2 out
of 7 in 6iw7
Go back to
Fluorine Binding Sites List in 6iw7
Fluorine binding site 2 out
of 7 in the Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:F301
b:62.2
occ:1.00
|
F01
|
I:AV3301
|
0.0
|
62.2
|
1.0
|
C05
|
I:AV3301
|
1.3
|
56.5
|
1.0
|
C01
|
I:AV3301
|
2.3
|
55.6
|
1.0
|
C09
|
I:AV3301
|
2.4
|
49.6
|
1.0
|
CD
|
I:ARG119
|
2.7
|
62.4
|
1.0
|
CB
|
I:ARG119
|
2.8
|
40.9
|
1.0
|
O01
|
I:AV3301
|
2.8
|
45.8
|
1.0
|
H071
|
I:AV3301
|
2.8
|
71.0
|
1.0
|
C07
|
I:AV3301
|
3.0
|
59.0
|
1.0
|
CG
|
I:ARG119
|
3.1
|
54.3
|
1.0
|
N02
|
I:AV3301
|
3.5
|
40.6
|
1.0
|
NE
|
I:ARG119
|
3.5
|
65.8
|
1.0
|
C04
|
I:AV3301
|
3.6
|
58.7
|
1.0
|
C03
|
I:AV3301
|
3.6
|
47.3
|
1.0
|
O
|
I:GLY94
|
3.6
|
48.6
|
1.0
|
C16
|
I:AV3301
|
3.6
|
48.9
|
1.0
|
N
|
I:ARG119
|
3.8
|
37.4
|
1.0
|
CA
|
I:ARG119
|
3.8
|
40.4
|
1.0
|
C15
|
I:AV3301
|
4.1
|
59.3
|
1.0
|
C10
|
I:AV3301
|
4.3
|
65.3
|
1.0
|
C
|
I:ALA118
|
4.4
|
39.8
|
1.0
|
O
|
I:HIS117
|
4.4
|
53.0
|
1.0
|
H161
|
I:AV3301
|
4.5
|
58.9
|
1.0
|
N01
|
I:AV3301
|
4.5
|
52.0
|
1.0
|
C
|
I:GLY94
|
4.6
|
42.5
|
1.0
|
C14
|
I:AV3301
|
4.7
|
44.6
|
1.0
|
CB
|
D:SER72
|
4.7
|
48.4
|
1.0
|
CB
|
I:MET95
|
4.7
|
44.9
|
1.0
|
C
|
I:ARG119
|
4.8
|
39.0
|
1.0
|
CZ
|
I:ARG119
|
4.8
|
67.8
|
1.0
|
O
|
I:ARG119
|
4.9
|
45.8
|
1.0
|
CA
|
D:SER72
|
4.9
|
43.6
|
1.0
|
C02
|
I:AV3301
|
4.9
|
49.1
|
1.0
|
O
|
I:ALA118
|
4.9
|
44.6
|
1.0
|
|
Fluorine binding site 3 out
of 7 in 6iw7
Go back to
Fluorine Binding Sites List in 6iw7
Fluorine binding site 3 out
of 7 in the Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:F301
b:60.8
occ:1.00
|
F01
|
K:AV3301
|
0.0
|
60.8
|
1.0
|
C05
|
K:AV3301
|
1.3
|
59.5
|
1.0
|
C09
|
K:AV3301
|
2.3
|
53.8
|
1.0
|
C01
|
K:AV3301
|
2.4
|
58.8
|
1.0
|
O01
|
K:AV3301
|
2.8
|
52.6
|
1.0
|
H071
|
K:AV3301
|
3.0
|
76.2
|
1.0
|
CA
|
K:SER72
|
3.0
|
44.1
|
1.0
|
C07
|
K:AV3301
|
3.1
|
63.3
|
1.0
|
CB
|
K:SER72
|
3.1
|
46.9
|
1.0
|
O
|
B:GLY94
|
3.3
|
56.5
|
1.0
|
C16
|
K:AV3301
|
3.6
|
52.6
|
1.0
|
C04
|
K:AV3301
|
3.6
|
60.1
|
1.0
|
N
|
K:SER72
|
3.8
|
44.4
|
1.0
|
C
|
B:GLY94
|
3.8
|
47.4
|
1.0
|
C03
|
K:AV3301
|
4.0
|
49.3
|
1.0
|
C15
|
K:AV3301
|
4.1
|
60.9
|
1.0
|
C
|
K:SER72
|
4.1
|
47.0
|
1.0
|
O
|
K:SER72
|
4.3
|
44.6
|
1.0
|
CA
|
B:GLY94
|
4.3
|
50.1
|
1.0
|
C10
|
K:AV3301
|
4.4
|
64.4
|
1.0
|
CB
|
K:MET75
|
4.4
|
44.1
|
1.0
|
C
|
K:ILE71
|
4.4
|
47.5
|
1.0
|
N02
|
K:AV3301
|
4.4
|
48.9
|
1.0
|
CG
|
K:MET75
|
4.5
|
54.5
|
1.0
|
H161
|
K:AV3301
|
4.5
|
63.3
|
1.0
|
OG
|
K:SER72
|
4.5
|
54.7
|
1.0
|
O
|
K:ILE71
|
4.5
|
49.7
|
1.0
|
N
|
B:MET95
|
4.6
|
43.6
|
1.0
|
H081
|
K:AV3301
|
4.6
|
61.9
|
1.0
|
O
|
B:HIS117
|
4.6
|
41.0
|
1.0
|
CB
|
B:ARG119
|
4.6
|
46.1
|
1.0
|
N01
|
K:AV3301
|
4.6
|
61.1
|
1.0
|
CB
|
B:MET95
|
4.6
|
46.4
|
1.0
|
CD
|
B:ARG119
|
4.7
|
57.9
|
1.0
|
CA
|
B:MET95
|
4.8
|
42.0
|
1.0
|
N
|
B:ARG119
|
4.8
|
44.2
|
1.0
|
CG2
|
K:ILE71
|
4.9
|
46.5
|
1.0
|
|
Fluorine binding site 4 out
of 7 in 6iw7
Go back to
Fluorine Binding Sites List in 6iw7
Fluorine binding site 4 out
of 7 in the Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:F302
b:65.7
occ:1.00
|
F01
|
K:AV3302
|
0.0
|
65.7
|
1.0
|
C05
|
K:AV3302
|
1.3
|
60.3
|
1.0
|
C01
|
K:AV3302
|
2.3
|
59.7
|
1.0
|
C09
|
K:AV3302
|
2.3
|
52.0
|
1.0
|
CB
|
K:ARG119
|
2.6
|
51.9
|
1.0
|
O01
|
K:AV3302
|
2.7
|
53.9
|
1.0
|
H071
|
K:AV3302
|
2.9
|
76.1
|
1.0
|
C07
|
K:AV3302
|
3.0
|
63.3
|
1.0
|
CG
|
K:ARG119
|
3.2
|
55.7
|
1.0
|
N02
|
K:AV3302
|
3.5
|
50.7
|
1.0
|
C03
|
K:AV3302
|
3.5
|
52.1
|
1.0
|
C04
|
K:AV3302
|
3.6
|
58.1
|
1.0
|
C16
|
K:AV3302
|
3.6
|
48.1
|
1.0
|
CD
|
K:ARG119
|
3.6
|
61.2
|
1.0
|
O
|
K:GLY94
|
3.8
|
54.3
|
1.0
|
CA
|
K:ARG119
|
3.8
|
49.5
|
1.0
|
NE
|
K:ARG119
|
3.9
|
63.5
|
1.0
|
N
|
K:ARG119
|
3.9
|
46.4
|
1.0
|
C15
|
K:AV3302
|
4.1
|
57.2
|
1.0
|
C10
|
K:AV3302
|
4.3
|
61.6
|
1.0
|
H161
|
K:AV3302
|
4.5
|
57.9
|
1.0
|
N01
|
K:AV3302
|
4.5
|
56.5
|
1.0
|
O
|
K:HIS117
|
4.6
|
55.0
|
1.0
|
C
|
K:ALA118
|
4.7
|
51.0
|
1.0
|
C14
|
K:AV3302
|
4.7
|
52.5
|
1.0
|
CB
|
N:SER72
|
4.7
|
47.3
|
1.0
|
CZ3
|
K:TRP174
|
4.7
|
52.8
|
1.0
|
C
|
K:ARG119
|
4.8
|
47.5
|
1.0
|
C
|
K:GLY94
|
4.8
|
50.3
|
1.0
|
CZ
|
K:ARG119
|
4.8
|
66.7
|
1.0
|
CB
|
K:MET95
|
4.8
|
49.2
|
1.0
|
C02
|
K:AV3302
|
4.8
|
53.5
|
1.0
|
CA
|
N:SER72
|
4.9
|
43.7
|
1.0
|
O
|
K:ARG119
|
4.9
|
45.3
|
1.0
|
CA
|
K:MET95
|
5.0
|
45.3
|
1.0
|
|
Fluorine binding site 5 out
of 7 in 6iw7
Go back to
Fluorine Binding Sites List in 6iw7
Fluorine binding site 5 out
of 7 in the Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:F301
b:65.9
occ:1.00
|
F01
|
M:AV3301
|
0.0
|
65.9
|
1.0
|
C05
|
M:AV3301
|
1.3
|
58.1
|
1.0
|
C01
|
M:AV3301
|
2.3
|
60.6
|
1.0
|
C09
|
M:AV3301
|
2.4
|
51.9
|
1.0
|
CD
|
M:ARG119
|
2.7
|
60.8
|
1.0
|
H071
|
M:AV3301
|
2.8
|
78.4
|
1.0
|
O01
|
M:AV3301
|
2.9
|
47.6
|
1.0
|
CB
|
M:ARG119
|
2.9
|
49.0
|
1.0
|
C07
|
M:AV3301
|
3.0
|
65.2
|
1.0
|
CG
|
M:ARG119
|
3.2
|
53.7
|
1.0
|
O
|
M:GLY94
|
3.5
|
49.4
|
1.0
|
C04
|
M:AV3301
|
3.6
|
62.4
|
1.0
|
C16
|
M:AV3301
|
3.6
|
49.7
|
1.0
|
N02
|
M:AV3301
|
3.7
|
50.1
|
1.0
|
C03
|
M:AV3301
|
3.8
|
48.2
|
1.0
|
N
|
M:ARG119
|
3.8
|
40.7
|
1.0
|
NE
|
M:ARG119
|
3.9
|
68.3
|
1.0
|
CA
|
M:ARG119
|
4.0
|
42.2
|
1.0
|
C15
|
M:AV3301
|
4.1
|
59.0
|
1.0
|
C10
|
M:AV3301
|
4.2
|
65.9
|
1.0
|
O
|
M:HIS117
|
4.4
|
51.5
|
1.0
|
C
|
M:ALA118
|
4.4
|
49.8
|
1.0
|
H161
|
M:AV3301
|
4.5
|
59.8
|
1.0
|
N01
|
M:AV3301
|
4.5
|
60.2
|
1.0
|
C
|
M:GLY94
|
4.5
|
47.1
|
1.0
|
CB
|
B:SER72
|
4.7
|
47.2
|
1.0
|
CA
|
B:SER72
|
4.9
|
45.1
|
1.0
|
O
|
M:ALA118
|
4.9
|
52.7
|
1.0
|
C
|
M:ARG119
|
4.9
|
43.3
|
1.0
|
CA
|
M:ALA118
|
4.9
|
50.3
|
1.0
|
CB
|
M:MET95
|
4.9
|
47.7
|
1.0
|
C14
|
M:AV3301
|
5.0
|
47.9
|
1.0
|
|
Fluorine binding site 6 out
of 7 in 6iw7
Go back to
Fluorine Binding Sites List in 6iw7
Fluorine binding site 6 out
of 7 in the Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
N:F301
b:68.4
occ:1.00
|
F01
|
N:AV3301
|
0.0
|
68.4
|
1.0
|
C05
|
N:AV3301
|
1.3
|
59.2
|
1.0
|
C09
|
N:AV3301
|
2.3
|
51.3
|
1.0
|
C01
|
N:AV3301
|
2.4
|
53.4
|
1.0
|
O01
|
N:AV3301
|
2.7
|
47.9
|
1.0
|
H071
|
N:AV3301
|
2.9
|
67.1
|
1.0
|
CB
|
N:ARG119
|
2.9
|
42.5
|
1.0
|
C07
|
N:AV3301
|
3.0
|
55.8
|
1.0
|
CG
|
N:ARG119
|
3.1
|
47.7
|
1.0
|
CD
|
N:ARG119
|
3.3
|
50.9
|
1.0
|
NE
|
N:ARG119
|
3.3
|
49.0
|
1.0
|
N02
|
N:AV3301
|
3.5
|
47.3
|
1.0
|
O
|
N:GLY94
|
3.5
|
52.1
|
1.0
|
C04
|
N:AV3301
|
3.6
|
54.7
|
1.0
|
C03
|
N:AV3301
|
3.6
|
48.0
|
1.0
|
C16
|
N:AV3301
|
3.6
|
50.2
|
1.0
|
N
|
N:ARG119
|
3.8
|
38.8
|
1.0
|
CA
|
N:ARG119
|
3.9
|
43.6
|
1.0
|
C15
|
N:AV3301
|
4.1
|
54.0
|
1.0
|
C10
|
N:AV3301
|
4.3
|
59.2
|
1.0
|
CB
|
N:MET95
|
4.4
|
48.0
|
1.0
|
CB
|
G:SER72
|
4.4
|
44.4
|
1.0
|
O
|
N:HIS117
|
4.5
|
49.0
|
1.0
|
H161
|
N:AV3301
|
4.5
|
60.4
|
1.0
|
CZ
|
N:ARG119
|
4.5
|
59.5
|
1.0
|
C
|
N:GLY94
|
4.5
|
48.5
|
1.0
|
C
|
N:ALA118
|
4.5
|
42.4
|
1.0
|
N01
|
N:AV3301
|
4.5
|
57.5
|
1.0
|
O
|
N:ARG119
|
4.7
|
41.6
|
1.0
|
C
|
N:ARG119
|
4.7
|
43.3
|
1.0
|
CA
|
G:SER72
|
4.7
|
44.3
|
1.0
|
CE
|
N:MET95
|
4.7
|
50.6
|
1.0
|
C14
|
N:AV3301
|
4.7
|
49.9
|
1.0
|
CA
|
N:MET95
|
4.8
|
44.9
|
1.0
|
C02
|
N:AV3301
|
4.9
|
49.2
|
1.0
|
|
Fluorine binding site 7 out
of 7 in 6iw7
Go back to
Fluorine Binding Sites List in 6iw7
Fluorine binding site 7 out
of 7 in the Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:F301
b:63.4
occ:1.00
|
F01
|
G:AV3301
|
0.0
|
63.4
|
1.0
|
C05
|
G:AV3301
|
1.3
|
57.5
|
1.0
|
C09
|
G:AV3301
|
2.4
|
50.8
|
1.0
|
C01
|
G:AV3301
|
2.4
|
59.9
|
1.0
|
CD
|
G:ARG119
|
2.6
|
59.8
|
1.0
|
O01
|
G:AV3301
|
2.8
|
45.8
|
1.0
|
CB
|
G:ARG119
|
2.8
|
47.7
|
1.0
|
H071
|
G:AV3301
|
2.9
|
77.1
|
1.0
|
CG
|
G:ARG119
|
3.0
|
53.1
|
1.0
|
C07
|
G:AV3301
|
3.0
|
64.1
|
1.0
|
O
|
G:GLY94
|
3.5
|
44.9
|
1.0
|
C04
|
G:AV3301
|
3.6
|
60.7
|
1.0
|
C16
|
G:AV3301
|
3.6
|
53.1
|
1.0
|
N02
|
G:AV3301
|
3.7
|
51.1
|
1.0
|
NE
|
G:ARG119
|
3.7
|
65.6
|
1.0
|
C03
|
G:AV3301
|
3.7
|
46.6
|
1.0
|
N
|
G:ARG119
|
3.8
|
44.6
|
1.0
|
CA
|
G:ARG119
|
3.9
|
45.8
|
1.0
|
C15
|
G:AV3301
|
4.1
|
59.5
|
1.0
|
C10
|
G:AV3301
|
4.3
|
65.8
|
1.0
|
C
|
G:ALA118
|
4.5
|
42.6
|
1.0
|
C
|
G:GLY94
|
4.5
|
44.0
|
1.0
|
H161
|
G:AV3301
|
4.5
|
63.9
|
1.0
|
N01
|
G:AV3301
|
4.6
|
61.4
|
1.0
|
O
|
G:HIS117
|
4.6
|
52.1
|
1.0
|
C
|
G:ARG119
|
4.8
|
42.8
|
1.0
|
CZ
|
G:ARG119
|
4.9
|
71.5
|
1.0
|
CB
|
I:SER72
|
4.9
|
47.9
|
1.0
|
C14
|
G:AV3301
|
5.0
|
51.8
|
1.0
|
CZ3
|
G:TRP174
|
5.0
|
45.2
|
1.0
|
O
|
G:ARG119
|
5.0
|
42.6
|
1.0
|
|
Reference:
R.Bao,
Y.Z.Luo,
Y.B.Zhu,
Y.Yang,
T.Yang.
Structural Insights Into Mycobacterium Tuberculosis CLPP1P2 Inhibition By Cediranib: Implications For Developing Antimicrobial Agents Targeting Clp Protease To Be Published.
Page generated: Thu Aug 1 21:27:08 2024
|