Fluorine in PDB 4u0g: Crystal Structure of M. Tuberculosis CLPP1P2 Bound to Adep and Agonist
Enzymatic activity of Crystal Structure of M. Tuberculosis CLPP1P2 Bound to Adep and Agonist
All present enzymatic activity of Crystal Structure of M. Tuberculosis CLPP1P2 Bound to Adep and Agonist:
3.4.21.92;
Protein crystallography data
The structure of Crystal Structure of M. Tuberculosis CLPP1P2 Bound to Adep and Agonist, PDB code: 4u0g
was solved by
K.R.Schmitz,
D.W.Carney,
J.K.Sello,
R.T.Sauer,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
49.91 /
3.20
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
154.748,
187.673,
294.029,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
19 /
22.2
|
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
28;
Binding sites:
The binding sites of Fluorine atom in the Crystal Structure of M. Tuberculosis CLPP1P2 Bound to Adep and Agonist
(pdb code 4u0g). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 28 binding sites of Fluorine where determined in the
Crystal Structure of M. Tuberculosis CLPP1P2 Bound to Adep and Agonist, PDB code: 4u0g:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 28 in 4u0g
Go back to
Fluorine Binding Sites List in 4u0g
Fluorine binding site 1 out
of 28 in the Crystal Structure of M. Tuberculosis CLPP1P2 Bound to Adep and Agonist
 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 CLPP1P2 Bound to Adep and Agonist within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
c:F2
b:31.5
occ:1.00
|
F1
|
c:WFP2
|
0.0
|
31.5
|
1.0
|
|
CE1
|
c:WFP2
|
1.4
|
23.3
|
1.0
|
|
CZ
|
c:WFP2
|
2.3
|
20.6
|
1.0
|
|
CD1
|
c:WFP2
|
2.3
|
30.6
|
1.0
|
|
HZ
|
c:WFP2
|
2.6
|
24.7
|
1.0
|
|
HD1
|
c:WFP2
|
2.6
|
36.8
|
1.0
|
|
HA
|
A:THR92
|
2.7
|
19.9
|
1.0
|
|
HB3
|
A:TYR95
|
2.7
|
28.9
|
1.0
|
|
HB2
|
A:TYR95
|
3.2
|
28.9
|
1.0
|
|
HD21
|
B:LEU127
|
3.2
|
14.3
|
1.0
|
|
HD11
|
B:LEU127
|
3.2
|
50.5
|
1.0
|
|
CB
|
A:TYR95
|
3.2
|
24.1
|
1.0
|
|
CG
|
A:TYR95
|
3.3
|
21.6
|
1.0
|
|
HG23
|
A:THR92
|
3.3
|
14.8
|
1.0
|
|
HD21
|
A:LEU61
|
3.4
|
26.4
|
1.0
|
|
CD2
|
A:TYR95
|
3.5
|
20.8
|
1.0
|
|
HD2
|
A:TYR95
|
3.5
|
25.0
|
1.0
|
|
CE2
|
c:WFP2
|
3.6
|
29.8
|
1.0
|
|
CG
|
c:WFP2
|
3.6
|
16.5
|
1.0
|
|
CA
|
A:THR92
|
3.7
|
16.6
|
1.0
|
|
HD22
|
B:LEU127
|
3.7
|
14.3
|
1.0
|
|
HD13
|
B:LEU127
|
3.7
|
50.5
|
1.0
|
|
CD2
|
B:LEU127
|
3.8
|
11.9
|
1.0
|
|
CD1
|
B:LEU127
|
3.8
|
42.0
|
1.0
|
|
CD1
|
A:TYR95
|
4.0
|
25.1
|
1.0
|
|
OG1
|
A:THR92
|
4.0
|
13.6
|
1.0
|
|
CD2
|
c:WFP2
|
4.1
|
24.4
|
1.0
|
|
CG2
|
A:THR92
|
4.1
|
12.3
|
1.0
|
|
CB
|
A:THR92
|
4.2
|
17.2
|
1.0
|
|
O
|
A:ASP91
|
4.2
|
27.9
|
1.0
|
|
HD1
|
A:TYR95
|
4.3
|
30.1
|
1.0
|
|
N
|
A:THR92
|
4.3
|
17.9
|
1.0
|
|
CE2
|
A:TYR95
|
4.3
|
22.3
|
1.0
|
|
HG1
|
A:THR92
|
4.3
|
16.3
|
1.0
|
|
CD2
|
A:LEU61
|
4.4
|
22.0
|
1.0
|
|
HD21
|
B:LEU105
|
4.4
|
74.0
|
1.0
|
|
CG
|
B:LEU127
|
4.5
|
40.0
|
1.0
|
|
C
|
A:ASP91
|
4.5
|
19.0
|
1.0
|
|
O
|
A:THR92
|
4.5
|
16.4
|
1.0
|
|
HD23
|
B:LEU105
|
4.6
|
74.0
|
1.0
|
|
HD11
|
A:LEU61
|
4.6
|
22.5
|
1.0
|
|
HG22
|
A:THR92
|
4.6
|
14.8
|
1.0
|
|
C
|
A:THR92
|
4.6
|
14.2
|
1.0
|
|
HD23
|
B:LEU127
|
4.6
|
14.3
|
1.0
|
|
HD12
|
B:LEU127
|
4.6
|
50.5
|
1.0
|
|
F2
|
c:WFP2
|
4.7
|
14.9
|
1.0
|
|
HD22
|
A:LEU61
|
4.7
|
26.4
|
1.0
|
|
CA
|
A:TYR95
|
4.7
|
18.9
|
1.0
|
|
HD23
|
A:LEU61
|
4.7
|
26.4
|
1.0
|
|
CE1
|
A:TYR95
|
4.7
|
31.3
|
1.0
|
|
H
|
A:TYR95
|
4.7
|
37.0
|
1.0
|
|
HB3
|
A:ASP91
|
4.8
|
28.2
|
1.0
|
|
HG21
|
A:THR92
|
4.8
|
14.8
|
1.0
|
|
H
|
A:THR92
|
4.8
|
21.4
|
1.0
|
|
HE2
|
A:TYR95
|
4.8
|
26.8
|
1.0
|
|
CB
|
c:WFP2
|
4.9
|
24.6
|
1.0
|
|
CZ
|
A:TYR95
|
4.9
|
30.2
|
1.0
|
|
HA
|
c:WFP2
|
4.9
|
43.1
|
1.0
|
|
HG
|
B:LEU127
|
4.9
|
48.0
|
1.0
|
|
HB3
|
c:WFP2
|
5.0
|
29.5
|
1.0
|
|
CD2
|
B:LEU105
|
5.0
|
61.6
|
1.0
|
|
HG23
|
A:VAL96
|
5.0
|
18.9
|
1.0
|
|
Fluorine binding site 2 out
of 28 in 4u0g
Go back to
Fluorine Binding Sites List in 4u0g
Fluorine binding site 2 out
of 28 in the Crystal Structure of M. Tuberculosis CLPP1P2 Bound to Adep and Agonist
 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 CLPP1P2 Bound to Adep and Agonist within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
c:F2
b:14.9
occ:1.00
|
F2
|
c:WFP2
|
0.0
|
14.9
|
1.0
|
|
CE2
|
c:WFP2
|
1.4
|
29.8
|
1.0
|
|
HD21
|
B:LEU105
|
2.3
|
74.0
|
1.0
|
|
CD2
|
c:WFP2
|
2.3
|
24.4
|
1.0
|
|
CZ
|
c:WFP2
|
2.3
|
20.6
|
1.0
|
|
HD2
|
c:WFP2
|
2.6
|
29.3
|
1.0
|
|
HZ
|
c:WFP2
|
2.6
|
24.7
|
1.0
|
|
HD11
|
B:LEU105
|
2.8
|
53.1
|
1.0
|
|
HD11
|
A:LEU61
|
2.8
|
22.5
|
1.0
|
|
CE2
|
B:TYR75
|
3.1
|
13.4
|
1.0
|
|
HE2
|
B:TYR75
|
3.2
|
16.1
|
1.0
|
|
CD2
|
B:LEU105
|
3.2
|
61.6
|
1.0
|
|
CD2
|
B:TYR75
|
3.3
|
12.0
|
1.0
|
|
HD22
|
B:LEU105
|
3.4
|
74.0
|
1.0
|
|
CZ
|
B:TYR75
|
3.4
|
16.9
|
1.0
|
|
HD2
|
B:TYR75
|
3.5
|
14.4
|
1.0
|
|
CD1
|
B:LEU105
|
3.5
|
44.2
|
1.0
|
|
CD1
|
A:LEU61
|
3.5
|
18.7
|
1.0
|
|
CE1
|
c:WFP2
|
3.6
|
23.3
|
1.0
|
|
CG
|
c:WFP2
|
3.6
|
16.5
|
1.0
|
|
HD13
|
A:LEU61
|
3.6
|
22.5
|
1.0
|
|
HD13
|
B:LEU105
|
3.7
|
53.1
|
1.0
|
|
CG
|
B:TYR75
|
3.8
|
14.5
|
1.0
|
|
HD12
|
A:LEU61
|
3.8
|
22.5
|
1.0
|
|
CG
|
B:LEU105
|
3.8
|
48.5
|
1.0
|
|
HD23
|
B:LEU105
|
3.9
|
74.0
|
1.0
|
|
CE1
|
B:TYR75
|
4.0
|
20.6
|
1.0
|
|
HG
|
B:LEU105
|
4.0
|
58.2
|
1.0
|
|
OH
|
B:TYR75
|
4.0
|
13.8
|
1.0
|
|
CD1
|
c:WFP2
|
4.1
|
30.6
|
1.0
|
|
CD1
|
B:TYR75
|
4.1
|
11.9
|
1.0
|
|
HG11
|
B:VAL103
|
4.2
|
29.7
|
1.0
|
|
HD11
|
B:LEU127
|
4.3
|
50.5
|
1.0
|
|
HD12
|
B:LEU105
|
4.3
|
53.1
|
1.0
|
|
HB3
|
B:TYR75
|
4.4
|
17.9
|
1.0
|
|
HD21
|
A:LEU61
|
4.4
|
26.4
|
1.0
|
|
HH
|
B:TYR75
|
4.5
|
16.6
|
1.0
|
|
HE1
|
B:TYR75
|
4.6
|
24.8
|
1.0
|
|
H
|
c:WFP2
|
4.6
|
22.5
|
1.0
|
|
HG12
|
B:VAL103
|
4.6
|
29.7
|
1.0
|
|
F1
|
c:WFP2
|
4.7
|
31.5
|
1.0
|
|
CB
|
B:TYR75
|
4.7
|
14.9
|
1.0
|
|
HB
|
B:VAL103
|
4.8
|
16.3
|
1.0
|
|
HD1
|
B:TYR75
|
4.8
|
14.3
|
1.0
|
|
CG
|
A:LEU61
|
4.8
|
11.4
|
1.0
|
|
CG1
|
B:VAL103
|
4.8
|
24.7
|
1.0
|
|
CB
|
c:WFP2
|
4.9
|
24.6
|
1.0
|
|
HB2
|
c:WFP2
|
4.9
|
29.5
|
1.0
|
|
HB3
|
A:MET57
|
5.0
|
34.1
|
1.0
|
|
CD2
|
A:LEU61
|
5.0
|
22.0
|
1.0
|
|
Fluorine binding site 3 out
of 28 in 4u0g
Go back to
Fluorine Binding Sites List in 4u0g
Fluorine binding site 3 out
of 28 in the Crystal Structure of M. Tuberculosis CLPP1P2 Bound to Adep and Agonist
 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 CLPP1P2 Bound to Adep and Agonist within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
i:F2
b:41.0
occ:1.00
|
F1
|
i:WFP2
|
0.0
|
41.0
|
1.0
|
|
CE1
|
i:WFP2
|
1.4
|
32.6
|
1.0
|
|
CZ
|
i:WFP2
|
2.3
|
17.4
|
1.0
|
|
CD1
|
i:WFP2
|
2.3
|
32.1
|
1.0
|
|
HZ
|
i:WFP2
|
2.6
|
20.9
|
1.0
|
|
HD1
|
i:WFP2
|
2.6
|
38.6
|
1.0
|
|
HA
|
G:THR92
|
2.7
|
18.1
|
1.0
|
|
HD21
|
A:LEU127
|
2.7
|
18.9
|
1.0
|
|
HB3
|
G:TYR95
|
2.8
|
29.2
|
1.0
|
|
HD11
|
A:LEU127
|
3.1
|
33.0
|
1.0
|
|
HB2
|
G:TYR95
|
3.1
|
29.2
|
1.0
|
|
CB
|
G:TYR95
|
3.2
|
24.4
|
1.0
|
|
CG
|
G:TYR95
|
3.3
|
24.1
|
1.0
|
|
HD22
|
A:LEU127
|
3.3
|
18.9
|
1.0
|
|
HG23
|
G:THR92
|
3.4
|
15.7
|
1.0
|
|
CD2
|
A:LEU127
|
3.4
|
15.7
|
1.0
|
|
CE2
|
i:WFP2
|
3.6
|
22.2
|
1.0
|
|
CD2
|
G:TYR95
|
3.6
|
26.5
|
1.0
|
|
CG
|
i:WFP2
|
3.6
|
12.6
|
1.0
|
|
HD13
|
A:LEU127
|
3.6
|
33.0
|
1.0
|
|
CA
|
G:THR92
|
3.6
|
15.1
|
1.0
|
|
HD2
|
G:TYR95
|
3.7
|
31.8
|
1.0
|
|
CD1
|
A:LEU127
|
3.7
|
27.5
|
1.0
|
|
HD21
|
G:LEU61
|
3.8
|
28.1
|
1.0
|
|
CD1
|
G:TYR95
|
3.9
|
20.0
|
1.0
|
|
OG1
|
G:THR92
|
4.0
|
17.9
|
1.0
|
|
CD2
|
i:WFP2
|
4.1
|
32.8
|
1.0
|
|
HD1
|
G:TYR95
|
4.1
|
24.0
|
1.0
|
|
O
|
G:ASP91
|
4.1
|
27.0
|
1.0
|
|
CB
|
G:THR92
|
4.2
|
21.0
|
1.0
|
|
CG
|
A:LEU127
|
4.2
|
33.7
|
1.0
|
|
CG2
|
G:THR92
|
4.2
|
13.1
|
1.0
|
|
HD23
|
A:LEU127
|
4.2
|
18.9
|
1.0
|
|
N
|
G:THR92
|
4.2
|
14.7
|
1.0
|
|
HG1
|
G:THR92
|
4.3
|
21.4
|
1.0
|
|
CE2
|
G:TYR95
|
4.4
|
21.9
|
1.0
|
|
C
|
G:ASP91
|
4.4
|
21.0
|
1.0
|
|
HD21
|
A:LEU105
|
4.4
|
75.1
|
1.0
|
|
HD23
|
A:LEU105
|
4.5
|
75.1
|
1.0
|
|
HD12
|
A:LEU127
|
4.6
|
33.0
|
1.0
|
|
O
|
G:THR92
|
4.6
|
25.3
|
1.0
|
|
HG
|
A:LEU127
|
4.6
|
40.4
|
1.0
|
|
C
|
G:THR92
|
4.6
|
15.3
|
1.0
|
|
CE1
|
G:TYR95
|
4.6
|
37.1
|
1.0
|
|
F2
|
i:WFP2
|
4.7
|
26.0
|
1.0
|
|
HG22
|
G:THR92
|
4.7
|
15.7
|
1.0
|
|
HB3
|
G:ASP91
|
4.7
|
30.0
|
1.0
|
|
CA
|
G:TYR95
|
4.7
|
16.1
|
1.0
|
|
CD2
|
G:LEU61
|
4.7
|
23.4
|
1.0
|
|
H
|
G:TYR95
|
4.8
|
32.7
|
1.0
|
|
H
|
G:THR92
|
4.8
|
17.6
|
1.0
|
|
HD13
|
A:LEU204
|
4.8
|
52.0
|
1.0
|
|
CZ
|
G:TYR95
|
4.9
|
34.9
|
1.0
|
|
CB
|
i:WFP2
|
4.9
|
36.9
|
1.0
|
|
HG21
|
G:THR92
|
4.9
|
15.7
|
1.0
|
|
HB3
|
i:WFP2
|
4.9
|
44.3
|
1.0
|
|
HE2
|
G:TYR95
|
4.9
|
26.3
|
1.0
|
|
HD23
|
G:LEU61
|
5.0
|
28.1
|
1.0
|
|
CD2
|
A:LEU105
|
5.0
|
62.6
|
1.0
|
|
Fluorine binding site 4 out
of 28 in 4u0g
Go back to
Fluorine Binding Sites List in 4u0g
Fluorine binding site 4 out
of 28 in the Crystal Structure of M. Tuberculosis CLPP1P2 Bound to Adep and Agonist
 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 CLPP1P2 Bound to Adep and Agonist within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
i:F2
b:26.0
occ:1.00
|
F2
|
i:WFP2
|
0.0
|
26.0
|
1.0
|
|
CE2
|
i:WFP2
|
1.4
|
22.2
|
1.0
|
|
HD21
|
A:LEU105
|
2.3
|
75.1
|
1.0
|
|
CD2
|
i:WFP2
|
2.3
|
32.8
|
1.0
|
|
CZ
|
i:WFP2
|
2.3
|
17.4
|
1.0
|
|
HD11
|
G:LEU61
|
2.4
|
23.1
|
1.0
|
|
HD2
|
i:WFP2
|
2.6
|
39.4
|
1.0
|
|
HZ
|
i:WFP2
|
2.6
|
20.9
|
1.0
|
|
HD11
|
A:LEU105
|
3.0
|
44.8
|
1.0
|
|
CE2
|
A:TYR75
|
3.1
|
12.1
|
1.0
|
|
HE2
|
A:TYR75
|
3.1
|
14.6
|
1.0
|
|
CD2
|
A:LEU105
|
3.2
|
62.6
|
1.0
|
|
CD2
|
A:TYR75
|
3.3
|
9.8
|
1.0
|
|
CD1
|
G:LEU61
|
3.3
|
19.3
|
1.0
|
|
HD22
|
A:LEU105
|
3.4
|
75.1
|
1.0
|
|
HD2
|
A:TYR75
|
3.4
|
11.7
|
1.0
|
|
HD13
|
G:LEU61
|
3.5
|
23.1
|
1.0
|
|
CE1
|
i:WFP2
|
3.6
|
32.6
|
1.0
|
|
CZ
|
A:TYR75
|
3.6
|
17.2
|
1.0
|
|
CG
|
i:WFP2
|
3.6
|
12.6
|
1.0
|
|
HD12
|
G:LEU61
|
3.7
|
23.1
|
1.0
|
|
CD1
|
A:LEU105
|
3.7
|
37.3
|
1.0
|
|
HD23
|
A:LEU105
|
3.8
|
75.1
|
1.0
|
|
HD13
|
A:LEU105
|
3.9
|
44.8
|
1.0
|
|
CG
|
A:LEU105
|
3.9
|
44.1
|
1.0
|
|
CG
|
A:TYR75
|
3.9
|
14.3
|
1.0
|
|
HD21
|
G:LEU61
|
4.0
|
28.1
|
1.0
|
|
CD1
|
i:WFP2
|
4.1
|
32.1
|
1.0
|
|
HG
|
A:LEU105
|
4.1
|
52.9
|
1.0
|
|
OH
|
A:TYR75
|
4.1
|
19.6
|
1.0
|
|
CE1
|
A:TYR75
|
4.2
|
19.9
|
1.0
|
|
CD1
|
A:TYR75
|
4.3
|
14.8
|
1.0
|
|
HG11
|
A:VAL103
|
4.4
|
36.0
|
1.0
|
|
CG
|
G:LEU61
|
4.4
|
11.1
|
1.0
|
|
HD11
|
A:LEU127
|
4.5
|
33.0
|
1.0
|
|
HB3
|
A:TYR75
|
4.5
|
15.7
|
1.0
|
|
H
|
i:WFP2
|
4.5
|
29.0
|
1.0
|
|
CD2
|
G:LEU61
|
4.6
|
23.4
|
1.0
|
|
HD12
|
A:LEU105
|
4.6
|
44.8
|
1.0
|
|
HG
|
G:LEU61
|
4.6
|
13.3
|
1.0
|
|
HB3
|
G:MET57
|
4.7
|
33.6
|
1.0
|
|
F1
|
i:WFP2
|
4.7
|
41.0
|
1.0
|
|
HH
|
A:TYR75
|
4.7
|
23.6
|
1.0
|
|
HD22
|
G:LEU61
|
4.7
|
28.1
|
1.0
|
|
HE1
|
A:TYR75
|
4.8
|
23.9
|
1.0
|
|
CB
|
i:WFP2
|
4.9
|
36.9
|
1.0
|
|
CB
|
A:TYR75
|
4.9
|
13.1
|
1.0
|
|
HB2
|
i:WFP2
|
4.9
|
44.3
|
1.0
|
|
HG12
|
A:VAL103
|
4.9
|
36.0
|
1.0
|
|
HE2
|
A:PHE43
|
5.0
|
43.5
|
1.0
|
|
Fluorine binding site 5 out
of 28 in 4u0g
Go back to
Fluorine Binding Sites List in 4u0g
Fluorine binding site 5 out
of 28 in the Crystal Structure of M. Tuberculosis CLPP1P2 Bound to Adep and Agonist
 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 CLPP1P2 Bound to Adep and Agonist within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
d:F2
b:32.7
occ:1.00
|
F1
|
d:WFP2
|
0.0
|
32.7
|
1.0
|
|
CE1
|
d:WFP2
|
1.4
|
30.1
|
1.0
|
|
CZ
|
d:WFP2
|
2.3
|
19.3
|
1.0
|
|
CD1
|
d:WFP2
|
2.3
|
29.4
|
1.0
|
|
HZ
|
d:WFP2
|
2.6
|
23.1
|
1.0
|
|
HD1
|
d:WFP2
|
2.6
|
35.3
|
1.0
|
|
HA
|
B:THR92
|
2.8
|
19.3
|
1.0
|
|
HB3
|
B:TYR95
|
2.8
|
28.6
|
1.0
|
|
HD21
|
C:LEU127
|
2.9
|
17.8
|
1.0
|
|
HB2
|
B:TYR95
|
3.2
|
28.6
|
1.0
|
|
HD11
|
C:LEU127
|
3.2
|
39.2
|
1.0
|
|
CG
|
B:TYR95
|
3.2
|
27.2
|
1.0
|
|
CB
|
B:TYR95
|
3.2
|
23.9
|
1.0
|
|
CD2
|
B:TYR95
|
3.4
|
28.0
|
1.0
|
|
HG23
|
B:THR92
|
3.4
|
15.3
|
1.0
|
|
HD2
|
B:TYR95
|
3.4
|
33.6
|
1.0
|
|
HD22
|
C:LEU127
|
3.5
|
17.8
|
1.0
|
|
CE2
|
d:WFP2
|
3.6
|
31.5
|
1.0
|
|
CG
|
d:WFP2
|
3.6
|
20.3
|
1.0
|
|
CD2
|
C:LEU127
|
3.6
|
14.8
|
1.0
|
|
HD21
|
B:LEU61
|
3.7
|
29.9
|
1.0
|
|
CA
|
B:THR92
|
3.7
|
16.1
|
1.0
|
|
HD13
|
C:LEU127
|
3.8
|
39.2
|
1.0
|
|
CD1
|
C:LEU127
|
3.9
|
32.7
|
1.0
|
|
CD1
|
B:TYR95
|
3.9
|
26.3
|
1.0
|
|
OG1
|
B:THR92
|
4.1
|
20.3
|
1.0
|
|
CD2
|
d:WFP2
|
4.1
|
27.1
|
1.0
|
|
CE2
|
B:TYR95
|
4.2
|
19.8
|
1.0
|
|
HD1
|
B:TYR95
|
4.2
|
31.6
|
1.0
|
|
CG2
|
B:THR92
|
4.2
|
12.8
|
1.0
|
|
CB
|
B:THR92
|
4.2
|
22.5
|
1.0
|
|
O
|
B:ASP91
|
4.3
|
30.1
|
1.0
|
|
CG
|
C:LEU127
|
4.4
|
35.1
|
1.0
|
|
N
|
B:THR92
|
4.4
|
16.8
|
1.0
|
|
HD23
|
C:LEU127
|
4.4
|
17.8
|
1.0
|
|
HG1
|
B:THR92
|
4.4
|
24.4
|
1.0
|
|
HD21
|
C:LEU105
|
4.4
|
81.7
|
1.0
|
|
CE1
|
B:TYR95
|
4.6
|
36.0
|
1.0
|
|
HD23
|
C:LEU105
|
4.6
|
81.7
|
1.0
|
|
O
|
B:THR92
|
4.6
|
21.1
|
1.0
|
|
C
|
B:ASP91
|
4.6
|
21.0
|
1.0
|
|
HE2
|
B:TYR95
|
4.6
|
23.8
|
1.0
|
|
CD2
|
B:LEU61
|
4.6
|
24.9
|
1.0
|
|
CZ
|
B:TYR95
|
4.7
|
28.5
|
1.0
|
|
F2
|
d:WFP2
|
4.7
|
37.0
|
1.0
|
|
HG22
|
B:THR92
|
4.7
|
15.3
|
1.0
|
|
C
|
B:THR92
|
4.7
|
14.8
|
1.0
|
|
HD12
|
C:LEU127
|
4.7
|
39.2
|
1.0
|
|
CA
|
B:TYR95
|
4.7
|
17.6
|
1.0
|
|
HD13
|
C:LEU204
|
4.8
|
52.9
|
1.0
|
|
HG
|
C:LEU127
|
4.8
|
42.1
|
1.0
|
|
H
|
B:TYR95
|
4.8
|
33.7
|
1.0
|
|
CB
|
d:WFP2
|
4.9
|
38.2
|
1.0
|
|
HB3
|
B:ASP91
|
4.9
|
34.0
|
1.0
|
|
HG21
|
B:THR92
|
4.9
|
15.3
|
1.0
|
|
HD23
|
B:LEU61
|
4.9
|
29.9
|
1.0
|
|
H
|
B:THR92
|
4.9
|
20.2
|
1.0
|
|
HA
|
d:WFP2
|
4.9
|
42.3
|
1.0
|
|
HB3
|
d:WFP2
|
4.9
|
45.9
|
1.0
|
|
HD22
|
B:LEU61
|
5.0
|
29.9
|
1.0
|
|
CD2
|
C:LEU105
|
5.0
|
68.0
|
1.0
|
|
Fluorine binding site 6 out
of 28 in 4u0g
Go back to
Fluorine Binding Sites List in 4u0g
Fluorine binding site 6 out
of 28 in the Crystal Structure of M. Tuberculosis CLPP1P2 Bound to Adep and Agonist
 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 CLPP1P2 Bound to Adep and Agonist within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
d:F2
b:37.0
occ:1.00
|
F2
|
d:WFP2
|
0.0
|
37.0
|
1.0
|
|
CE2
|
d:WFP2
|
1.4
|
31.5
|
1.0
|
|
HD21
|
C:LEU105
|
2.3
|
81.7
|
1.0
|
|
CD2
|
d:WFP2
|
2.3
|
27.1
|
1.0
|
|
CZ
|
d:WFP2
|
2.3
|
19.3
|
1.0
|
|
HD2
|
d:WFP2
|
2.6
|
32.5
|
1.0
|
|
HD11
|
B:LEU61
|
2.6
|
15.5
|
1.0
|
|
HZ
|
d:WFP2
|
2.6
|
23.1
|
1.0
|
|
HD11
|
C:LEU105
|
2.8
|
51.1
|
1.0
|
|
CE2
|
C:TYR75
|
3.1
|
14.1
|
1.0
|
|
CD2
|
C:LEU105
|
3.2
|
68.0
|
1.0
|
|
HE2
|
C:TYR75
|
3.2
|
16.9
|
1.0
|
|
CD2
|
C:TYR75
|
3.3
|
13.0
|
1.0
|
|
HD22
|
C:LEU105
|
3.4
|
81.7
|
1.0
|
|
CD1
|
B:LEU61
|
3.5
|
12.9
|
1.0
|
|
HD2
|
C:TYR75
|
3.5
|
15.6
|
1.0
|
|
CZ
|
C:TYR75
|
3.5
|
14.3
|
1.0
|
|
CE1
|
d:WFP2
|
3.6
|
30.1
|
1.0
|
|
CG
|
d:WFP2
|
3.6
|
20.3
|
1.0
|
|
CD1
|
C:LEU105
|
3.6
|
42.6
|
1.0
|
|
HD13
|
B:LEU61
|
3.7
|
15.5
|
1.0
|
|
HD12
|
B:LEU61
|
3.8
|
15.5
|
1.0
|
|
HD13
|
C:LEU105
|
3.8
|
51.1
|
1.0
|
|
HD23
|
C:LEU105
|
3.8
|
81.7
|
1.0
|
|
CG
|
C:LEU105
|
3.9
|
50.9
|
1.0
|
|
CG
|
C:TYR75
|
3.9
|
14.8
|
1.0
|
|
HG
|
C:LEU105
|
4.0
|
61.1
|
1.0
|
|
CE1
|
C:TYR75
|
4.1
|
15.6
|
1.0
|
|
CD1
|
d:WFP2
|
4.1
|
29.4
|
1.0
|
|
OH
|
C:TYR75
|
4.1
|
18.4
|
1.0
|
|
HG11
|
C:VAL103
|
4.1
|
27.5
|
1.0
|
|
HD21
|
B:LEU61
|
4.1
|
29.9
|
1.0
|
|
CD1
|
C:TYR75
|
4.2
|
12.3
|
1.0
|
|
HD12
|
C:LEU105
|
4.4
|
51.1
|
1.0
|
|
HD11
|
C:LEU127
|
4.4
|
39.2
|
1.0
|
|
HB3
|
C:TYR75
|
4.4
|
20.0
|
1.0
|
|
H
|
d:WFP2
|
4.5
|
15.8
|
1.0
|
|
CG
|
B:LEU61
|
4.6
|
11.5
|
1.0
|
|
HH
|
C:TYR75
|
4.6
|
22.0
|
1.0
|
|
HG12
|
C:VAL103
|
4.6
|
27.5
|
1.0
|
|
F1
|
d:WFP2
|
4.7
|
32.7
|
1.0
|
|
HE1
|
C:TYR75
|
4.7
|
18.7
|
1.0
|
|
CD2
|
B:LEU61
|
4.7
|
24.9
|
1.0
|
|
HG
|
B:LEU61
|
4.8
|
13.8
|
1.0
|
|
CB
|
C:TYR75
|
4.8
|
16.6
|
1.0
|
|
CG1
|
C:VAL103
|
4.8
|
22.9
|
1.0
|
|
HB
|
C:VAL103
|
4.8
|
17.2
|
1.0
|
|
HB3
|
B:MET57
|
4.8
|
30.1
|
1.0
|
|
CB
|
d:WFP2
|
4.9
|
38.2
|
1.0
|
|
HD22
|
B:LEU61
|
4.9
|
29.9
|
1.0
|
|
HB2
|
d:WFP2
|
4.9
|
45.9
|
1.0
|
|
HD1
|
C:TYR75
|
4.9
|
14.8
|
1.0
|
|
Fluorine binding site 7 out
of 28 in 4u0g
Go back to
Fluorine Binding Sites List in 4u0g
Fluorine binding site 7 out
of 28 in the Crystal Structure of M. Tuberculosis CLPP1P2 Bound to Adep and Agonist
 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 CLPP1P2 Bound to Adep and Agonist within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
e:F2
b:34.3
occ:1.00
|
F1
|
e:WFP2
|
0.0
|
34.3
|
1.0
|
|
CE1
|
e:WFP2
|
1.4
|
24.7
|
1.0
|
|
CD1
|
e:WFP2
|
2.3
|
21.4
|
1.0
|
|
CZ
|
e:WFP2
|
2.3
|
4.0
|
1.0
|
|
HZ
|
e:WFP2
|
2.6
|
4.8
|
1.0
|
|
HD1
|
e:WFP2
|
2.6
|
25.7
|
1.0
|
|
HA
|
C:THR92
|
2.6
|
21.5
|
1.0
|
|
HB3
|
C:TYR95
|
2.8
|
34.1
|
1.0
|
|
HD21
|
D:LEU127
|
3.0
|
15.8
|
1.0
|
|
HD11
|
D:LEU127
|
3.1
|
42.7
|
1.0
|
|
HB2
|
C:TYR95
|
3.2
|
34.1
|
1.0
|
|
HG23
|
C:THR92
|
3.2
|
15.1
|
1.0
|
|
CB
|
C:TYR95
|
3.3
|
28.4
|
1.0
|
|
CG
|
C:TYR95
|
3.4
|
24.0
|
1.0
|
|
HD22
|
D:LEU127
|
3.5
|
15.8
|
1.0
|
|
CA
|
C:THR92
|
3.5
|
17.9
|
1.0
|
|
CE2
|
e:WFP2
|
3.6
|
23.5
|
1.0
|
|
HD13
|
D:LEU127
|
3.6
|
42.7
|
1.0
|
|
CG
|
e:WFP2
|
3.6
|
30.8
|
1.0
|
|
HD21
|
C:LEU61
|
3.6
|
28.6
|
1.0
|
|
CD2
|
C:TYR95
|
3.7
|
21.8
|
1.0
|
|
HD2
|
C:TYR95
|
3.7
|
26.2
|
1.0
|
|
CD2
|
D:LEU127
|
3.7
|
13.1
|
1.0
|
|
CD1
|
D:LEU127
|
3.8
|
35.6
|
1.0
|
|
OG1
|
C:THR92
|
3.9
|
16.0
|
1.0
|
|
CG2
|
C:THR92
|
4.0
|
12.5
|
1.0
|
|
CB
|
C:THR92
|
4.0
|
20.6
|
1.0
|
|
CD2
|
e:WFP2
|
4.1
|
32.6
|
1.0
|
|
CD1
|
C:TYR95
|
4.1
|
22.9
|
1.0
|
|
O
|
C:ASP91
|
4.2
|
35.4
|
1.0
|
|
N
|
C:THR92
|
4.2
|
21.0
|
1.0
|
|
HG1
|
C:THR92
|
4.2
|
19.2
|
1.0
|
|
HD1
|
C:TYR95
|
4.4
|
27.5
|
1.0
|
|
CG
|
D:LEU127
|
4.4
|
35.5
|
1.0
|
|
C
|
C:ASP91
|
4.4
|
25.9
|
1.0
|
|
HD21
|
D:LEU105
|
4.4
|
73.5
|
1.0
|
|
HD23
|
D:LEU105
|
4.5
|
73.5
|
1.0
|
|
HD23
|
D:LEU127
|
4.5
|
15.8
|
1.0
|
|
CE2
|
C:TYR95
|
4.5
|
21.1
|
1.0
|
|
HG22
|
C:THR92
|
4.5
|
15.1
|
1.0
|
|
O
|
C:THR92
|
4.5
|
23.5
|
1.0
|
|
CD2
|
C:LEU61
|
4.5
|
23.8
|
1.0
|
|
C
|
C:THR92
|
4.5
|
15.4
|
1.0
|
|
HD12
|
D:LEU127
|
4.6
|
42.7
|
1.0
|
|
H
|
C:THR92
|
4.7
|
25.2
|
1.0
|
|
HG21
|
C:THR92
|
4.7
|
15.1
|
1.0
|
|
F2
|
e:WFP2
|
4.7
|
33.9
|
1.0
|
|
HB3
|
C:ASP91
|
4.7
|
29.0
|
1.0
|
|
HD23
|
C:LEU61
|
4.7
|
28.6
|
1.0
|
|
H
|
C:TYR95
|
4.7
|
31.5
|
1.0
|
|
CA
|
C:TYR95
|
4.8
|
24.3
|
1.0
|
|
HG
|
D:LEU127
|
4.8
|
42.6
|
1.0
|
|
CE1
|
C:TYR95
|
4.9
|
34.7
|
1.0
|
|
CB
|
e:WFP2
|
4.9
|
34.9
|
1.0
|
|
HD22
|
C:LEU61
|
4.9
|
28.6
|
1.0
|
|
CD2
|
D:LEU105
|
4.9
|
61.2
|
1.0
|
|
HB3
|
e:WFP2
|
4.9
|
41.8
|
1.0
|
|
HB
|
C:THR92
|
5.0
|
24.7
|
1.0
|
|
HA
|
e:WFP2
|
5.0
|
38.5
|
1.0
|
|
Fluorine binding site 8 out
of 28 in 4u0g
Go back to
Fluorine Binding Sites List in 4u0g
Fluorine binding site 8 out
of 28 in the Crystal Structure of M. Tuberculosis CLPP1P2 Bound to Adep and Agonist
 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 CLPP1P2 Bound to Adep and Agonist within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
e:F2
b:33.9
occ:1.00
|
F2
|
e:WFP2
|
0.0
|
33.9
|
1.0
|
|
CE2
|
e:WFP2
|
1.4
|
23.5
|
1.0
|
|
HD21
|
D:LEU105
|
2.3
|
73.5
|
1.0
|
|
CD2
|
e:WFP2
|
2.3
|
32.6
|
1.0
|
|
CZ
|
e:WFP2
|
2.3
|
4.0
|
1.0
|
|
HD11
|
C:LEU61
|
2.4
|
22.8
|
1.0
|
|
HD2
|
e:WFP2
|
2.6
|
39.2
|
1.0
|
|
HZ
|
e:WFP2
|
2.6
|
4.8
|
1.0
|
|
HD11
|
D:LEU105
|
3.0
|
46.6
|
1.0
|
|
CE2
|
D:TYR75
|
3.1
|
11.7
|
1.0
|
|
HE2
|
D:TYR75
|
3.1
|
14.1
|
1.0
|
|
CD2
|
D:LEU105
|
3.2
|
61.2
|
1.0
|
|
CD2
|
D:TYR75
|
3.2
|
10.6
|
1.0
|
|
CD1
|
C:LEU61
|
3.3
|
19.0
|
1.0
|
|
HD22
|
D:LEU105
|
3.4
|
73.5
|
1.0
|
|
HD2
|
D:TYR75
|
3.4
|
12.7
|
1.0
|
|
HD13
|
C:LEU61
|
3.5
|
22.8
|
1.0
|
|
CE1
|
e:WFP2
|
3.6
|
24.7
|
1.0
|
|
CZ
|
D:TYR75
|
3.6
|
22.1
|
1.0
|
|
CG
|
e:WFP2
|
3.6
|
30.8
|
1.0
|
|
HD12
|
C:LEU61
|
3.7
|
22.8
|
1.0
|
|
CD1
|
D:LEU105
|
3.8
|
38.9
|
1.0
|
|
HD23
|
D:LEU105
|
3.8
|
73.5
|
1.0
|
|
CG
|
D:TYR75
|
3.9
|
14.2
|
1.0
|
|
HD21
|
C:LEU61
|
3.9
|
28.6
|
1.0
|
|
HD13
|
D:LEU105
|
3.9
|
46.6
|
1.0
|
|
CG
|
D:LEU105
|
3.9
|
44.9
|
1.0
|
|
CD1
|
e:WFP2
|
4.1
|
21.4
|
1.0
|
|
HG
|
D:LEU105
|
4.1
|
53.9
|
1.0
|
|
CE1
|
D:TYR75
|
4.1
|
25.3
|
1.0
|
|
OH
|
D:TYR75
|
4.2
|
21.9
|
1.0
|
|
CD1
|
D:TYR75
|
4.3
|
17.8
|
1.0
|
|
HB3
|
D:TYR75
|
4.4
|
19.6
|
1.0
|
|
CG
|
C:LEU61
|
4.4
|
11.8
|
1.0
|
|
H
|
e:WFP2
|
4.4
|
30.2
|
1.0
|
|
HG11
|
D:VAL103
|
4.5
|
28.0
|
1.0
|
|
HD11
|
D:LEU127
|
4.5
|
42.7
|
1.0
|
|
CD2
|
C:LEU61
|
4.5
|
23.8
|
1.0
|
|
HG
|
C:LEU61
|
4.6
|
14.1
|
1.0
|
|
HD12
|
D:LEU105
|
4.6
|
46.6
|
1.0
|
|
HB3
|
C:MET57
|
4.6
|
37.6
|
1.0
|
|
HD22
|
C:LEU61
|
4.7
|
28.6
|
1.0
|
|
HE2
|
D:PHE43
|
4.7
|
36.3
|
1.0
|
|
F1
|
e:WFP2
|
4.7
|
34.3
|
1.0
|
|
HH
|
D:TYR75
|
4.7
|
26.2
|
1.0
|
|
CB
|
D:TYR75
|
4.7
|
16.4
|
1.0
|
|
HE1
|
D:TYR75
|
4.8
|
30.4
|
1.0
|
|
CB
|
e:WFP2
|
4.8
|
34.9
|
1.0
|
|
HB2
|
e:WFP2
|
4.9
|
41.8
|
1.0
|
|
HD1
|
D:TYR75
|
4.9
|
21.4
|
1.0
|
|
HG12
|
D:VAL103
|
5.0
|
28.0
|
1.0
|
|
Fluorine binding site 9 out
of 28 in 4u0g
Go back to
Fluorine Binding Sites List in 4u0g
Fluorine binding site 9 out
of 28 in the Crystal Structure of M. Tuberculosis CLPP1P2 Bound to Adep and Agonist
 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 CLPP1P2 Bound to Adep and Agonist within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
f:F2
b:34.3
occ:1.00
|
F1
|
f:WFP2
|
0.0
|
34.3
|
1.0
|
|
CE1
|
f:WFP2
|
1.4
|
31.2
|
1.0
|
|
CZ
|
f:WFP2
|
2.3
|
17.2
|
1.0
|
|
CD1
|
f:WFP2
|
2.3
|
39.0
|
1.0
|
|
HZ
|
f:WFP2
|
2.6
|
20.6
|
1.0
|
|
HD1
|
f:WFP2
|
2.6
|
46.9
|
1.0
|
|
HA
|
D:THR92
|
2.6
|
20.1
|
1.0
|
|
HB3
|
D:TYR95
|
2.7
|
31.5
|
1.0
|
|
HB2
|
D:TYR95
|
3.0
|
31.5
|
1.0
|
|
HD21
|
E:LEU127
|
3.1
|
18.6
|
1.0
|
|
CB
|
D:TYR95
|
3.1
|
26.3
|
1.0
|
|
CG
|
D:TYR95
|
3.2
|
19.6
|
1.0
|
|
HG23
|
D:THR92
|
3.2
|
18.6
|
1.0
|
|
HD11
|
E:LEU127
|
3.3
|
53.1
|
1.0
|
|
CD2
|
D:TYR95
|
3.5
|
26.1
|
1.0
|
|
HD2
|
D:TYR95
|
3.5
|
31.3
|
1.0
|
|
HD21
|
D:LEU61
|
3.5
|
31.9
|
1.0
|
|
CE2
|
f:WFP2
|
3.6
|
17.9
|
1.0
|
|
CA
|
D:THR92
|
3.6
|
16.7
|
1.0
|
|
CG
|
f:WFP2
|
3.6
|
23.8
|
1.0
|
|
HD22
|
E:LEU127
|
3.6
|
18.6
|
1.0
|
|
CD2
|
E:LEU127
|
3.8
|
15.5
|
1.0
|
|
HD13
|
E:LEU127
|
3.9
|
53.1
|
1.0
|
|
CD1
|
D:TYR95
|
3.9
|
21.9
|
1.0
|
|
CD1
|
E:LEU127
|
4.0
|
44.3
|
1.0
|
|
OG1
|
D:THR92
|
4.0
|
22.5
|
1.0
|
|
CG2
|
D:THR92
|
4.0
|
15.5
|
1.0
|
|
CD2
|
f:WFP2
|
4.1
|
20.9
|
1.0
|
|
CB
|
D:THR92
|
4.1
|
23.9
|
1.0
|
|
HD1
|
D:TYR95
|
4.2
|
26.3
|
1.0
|
|
O
|
D:ASP91
|
4.2
|
26.1
|
1.0
|
|
N
|
D:THR92
|
4.3
|
23.4
|
1.0
|
|
CE2
|
D:TYR95
|
4.3
|
22.8
|
1.0
|
|
O
|
D:THR92
|
4.4
|
24.3
|
1.0
|
|
HG1
|
D:THR92
|
4.4
|
26.9
|
1.0
|
|
CD2
|
D:LEU61
|
4.4
|
26.6
|
1.0
|
|
HG22
|
D:THR92
|
4.5
|
18.6
|
1.0
|
|
C
|
D:THR92
|
4.5
|
15.5
|
1.0
|
|
C
|
D:ASP91
|
4.5
|
23.3
|
1.0
|
|
HD21
|
E:LEU105
|
4.5
|
69.7
|
1.0
|
|
CG
|
E:LEU127
|
4.5
|
36.1
|
1.0
|
|
HD23
|
E:LEU127
|
4.6
|
18.6
|
1.0
|
|
CA
|
D:TYR95
|
4.6
|
22.1
|
1.0
|
|
HD23
|
E:LEU105
|
4.6
|
69.7
|
1.0
|
|
H
|
D:TYR95
|
4.6
|
32.3
|
1.0
|
|
HD23
|
D:LEU61
|
4.7
|
31.9
|
1.0
|
|
CE1
|
D:TYR95
|
4.7
|
35.0
|
1.0
|
|
F2
|
f:WFP2
|
4.7
|
26.3
|
1.0
|
|
HG21
|
D:THR92
|
4.7
|
18.6
|
1.0
|
|
HD22
|
D:LEU61
|
4.8
|
31.9
|
1.0
|
|
H
|
D:THR92
|
4.8
|
28.0
|
1.0
|
|
HD12
|
E:LEU127
|
4.8
|
53.1
|
1.0
|
|
HE2
|
D:TYR95
|
4.8
|
27.4
|
1.0
|
|
CZ
|
D:TYR95
|
4.9
|
32.0
|
1.0
|
|
CB
|
f:WFP2
|
4.9
|
42.6
|
1.0
|
|
HG23
|
D:VAL96
|
4.9
|
28.8
|
1.0
|
|
HD11
|
D:LEU61
|
4.9
|
29.0
|
1.0
|
|
HB3
|
D:ASP91
|
4.9
|
33.2
|
1.0
|
|
HB3
|
f:WFP2
|
4.9
|
51.1
|
1.0
|
|
H
|
D:VAL96
|
5.0
|
38.8
|
1.0
|
|
HG
|
E:LEU127
|
5.0
|
43.3
|
1.0
|
|
Fluorine binding site 10 out
of 28 in 4u0g
Go back to
Fluorine Binding Sites List in 4u0g
Fluorine binding site 10 out
of 28 in the Crystal Structure of M. Tuberculosis CLPP1P2 Bound to Adep and Agonist
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Crystal Structure of M. Tuberculosis CLPP1P2 Bound to Adep and Agonist within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
f:F2
b:26.3
occ:1.00
|
F2
|
f:WFP2
|
0.0
|
26.3
|
1.0
|
|
CE2
|
f:WFP2
|
1.4
|
17.9
|
1.0
|
|
HD21
|
E:LEU105
|
2.3
|
69.7
|
1.0
|
|
CD2
|
f:WFP2
|
2.3
|
20.9
|
1.0
|
|
CZ
|
f:WFP2
|
2.3
|
17.2
|
1.0
|
|
HD2
|
f:WFP2
|
2.6
|
25.1
|
1.0
|
|
HZ
|
f:WFP2
|
2.6
|
20.6
|
1.0
|
|
HD11
|
D:LEU61
|
2.6
|
29.0
|
1.0
|
|
HD11
|
E:LEU105
|
2.9
|
57.2
|
1.0
|
|
CE2
|
E:TYR75
|
3.1
|
15.6
|
1.0
|
|
CD2
|
E:LEU105
|
3.2
|
58.1
|
1.0
|
|
CD2
|
E:TYR75
|
3.2
|
16.1
|
1.0
|
|
HE2
|
E:TYR75
|
3.3
|
18.7
|
1.0
|
|
HD2
|
E:TYR75
|
3.5
|
19.3
|
1.0
|
|
CZ
|
E:TYR75
|
3.5
|
22.1
|
1.0
|
|
CD1
|
D:LEU61
|
3.5
|
24.1
|
1.0
|
|
HD22
|
E:LEU105
|
3.5
|
69.7
|
1.0
|
|
CE1
|
f:WFP2
|
3.6
|
31.2
|
1.0
|
|
CG
|
f:WFP2
|
3.6
|
23.8
|
1.0
|
|
HD13
|
D:LEU61
|
3.6
|
29.0
|
1.0
|
|
CD1
|
E:LEU105
|
3.7
|
47.7
|
1.0
|
|
CG
|
E:TYR75
|
3.7
|
19.8
|
1.0
|
|
HD23
|
E:LEU105
|
3.8
|
69.7
|
1.0
|
|
HD12
|
D:LEU61
|
3.9
|
29.0
|
1.0
|
|
CG
|
E:LEU105
|
3.9
|
52.0
|
1.0
|
|
CE1
|
E:TYR75
|
3.9
|
21.2
|
1.0
|
|
HD13
|
E:LEU105
|
4.0
|
57.2
|
1.0
|
|
HG
|
E:LEU105
|
4.0
|
62.3
|
1.0
|
|
HG11
|
E:VAL103
|
4.0
|
34.1
|
1.0
|
|
CD1
|
E:TYR75
|
4.1
|
17.1
|
1.0
|
|
CD1
|
f:WFP2
|
4.1
|
39.0
|
1.0
|
|
OH
|
E:TYR75
|
4.1
|
23.6
|
1.0
|
|
HD21
|
D:LEU61
|
4.2
|
31.9
|
1.0
|
|
HB3
|
E:TYR75
|
4.3
|
16.3
|
1.0
|
|
HD11
|
E:LEU127
|
4.4
|
53.1
|
1.0
|
|
H
|
f:WFP2
|
4.4
|
41.6
|
1.0
|
|
HD12
|
E:LEU105
|
4.5
|
57.2
|
1.0
|
|
HE1
|
E:TYR75
|
4.6
|
25.5
|
1.0
|
|
HH
|
E:TYR75
|
4.6
|
28.3
|
1.0
|
|
HG12
|
E:VAL103
|
4.6
|
34.1
|
1.0
|
|
CG
|
D:LEU61
|
4.6
|
13.2
|
1.0
|
|
CB
|
E:TYR75
|
4.6
|
13.6
|
1.0
|
|
F1
|
f:WFP2
|
4.7
|
34.3
|
1.0
|
|
CG1
|
E:VAL103
|
4.7
|
28.4
|
1.0
|
|
HD1
|
E:TYR75
|
4.7
|
20.6
|
1.0
|
|
HB
|
E:VAL103
|
4.7
|
19.6
|
1.0
|
|
CD2
|
D:LEU61
|
4.8
|
26.6
|
1.0
|
|
HG
|
D:LEU61
|
4.8
|
15.9
|
1.0
|
|
CB
|
f:WFP2
|
4.8
|
42.6
|
1.0
|
|
HD22
|
D:LEU61
|
4.9
|
31.9
|
1.0
|
|
HB3
|
D:MET57
|
4.9
|
35.5
|
1.0
|
|
HB2
|
f:WFP2
|
4.9
|
51.1
|
1.0
|
|
Reference:
K.R.Schmitz,
D.W.Carney,
J.K.Sello,
R.T.Sauer.
Crystal Structure of Mycobacterium Tuberculosis CLPP1P2 Suggests A Model For Peptidase Activation By Aaa+ Partner Binding and Substrate Delivery. Proc.Natl.Acad.Sci.Usa V. 111 E4587 2014.
ISSN: ESSN 1091-6490
PubMed: 25267638
DOI: 10.1073/PNAS.1417120111
Page generated: Sun Dec 13 12:12:54 2020
|
