Fluorine in PDB 7t61: P. Aeruginosa Lpxa in Complex with Ligand L15
Enzymatic activity of P. Aeruginosa Lpxa in Complex with Ligand L15
All present enzymatic activity of P. Aeruginosa Lpxa in Complex with Ligand L15:
2.3.1.129;
Protein crystallography data
The structure of P. Aeruginosa Lpxa in Complex with Ligand L15, PDB code: 7t61
was solved by
M.Sacco,
Y.Chen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
45.87 /
2.10
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
79.48,
82.29,
220.73,
90,
90,
90
|
|
R / Rfree (%)
|
18.8 /
21.4
|
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
18;
Binding sites:
The binding sites of Fluorine atom in the P. Aeruginosa Lpxa in Complex with Ligand L15
(pdb code 7t61). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 18 binding sites of Fluorine where determined in the
P. Aeruginosa Lpxa in Complex with Ligand L15, PDB code: 7t61:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 18 in 7t61
Go back to
Fluorine Binding Sites List in 7t61
Fluorine binding site 1 out
of 18 in the P. Aeruginosa Lpxa in Complex with Ligand L15
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of P. Aeruginosa Lpxa in Complex with Ligand L15 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F601
b:41.3
occ:1.00
|
F09
|
B:FCU601
|
0.0
|
41.3
|
1.0
|
|
C08
|
B:FCU601
|
1.4
|
40.7
|
1.0
|
|
F10
|
B:FCU601
|
2.2
|
38.2
|
1.0
|
|
F11
|
B:FCU601
|
2.3
|
38.9
|
1.0
|
|
C07
|
B:FCU601
|
2.3
|
39.8
|
1.0
|
|
C06
|
B:FCU601
|
2.7
|
39.6
|
1.0
|
|
CG
|
A:ASN133
|
3.1
|
21.9
|
1.0
|
|
CD2
|
B:HIS118
|
3.2
|
24.4
|
1.0
|
|
OD1
|
A:ASN133
|
3.3
|
19.4
|
1.0
|
|
ND2
|
A:ASN133
|
3.3
|
23.3
|
1.0
|
|
CB
|
A:ASN133
|
3.5
|
22.6
|
1.0
|
|
C12
|
B:FCU601
|
3.6
|
37.2
|
1.0
|
|
CB
|
B:ALA136
|
3.8
|
22.4
|
1.0
|
|
NE2
|
B:HIS118
|
3.8
|
23.6
|
1.0
|
|
CG
|
B:HIS118
|
4.1
|
22.3
|
1.0
|
|
C05
|
B:FCU601
|
4.1
|
38.9
|
1.0
|
|
O
|
B:HOH724
|
4.4
|
27.7
|
1.0
|
|
O
|
A:HOH860
|
4.5
|
36.3
|
1.0
|
|
CA
|
B:ALA138
|
4.5
|
25.5
|
1.0
|
|
CB
|
B:HIS118
|
4.6
|
22.3
|
1.0
|
|
O
|
B:LEU137
|
4.7
|
21.7
|
1.0
|
|
C03
|
B:FCU601
|
4.7
|
40.9
|
1.0
|
|
CG1
|
A:VAL132
|
4.7
|
24.2
|
1.0
|
|
CA
|
A:ASN133
|
4.8
|
22.1
|
1.0
|
|
CA
|
B:ALA136
|
4.8
|
22.4
|
1.0
|
|
O
|
A:HOH848
|
4.8
|
28.0
|
1.0
|
|
N
|
B:ALA138
|
4.8
|
23.7
|
1.0
|
|
C
|
B:LEU137
|
4.8
|
22.6
|
1.0
|
|
CE1
|
B:HIS118
|
4.9
|
25.2
|
1.0
|
|
N
|
A:ASN133
|
4.9
|
22.5
|
1.0
|
|
C04
|
B:FCU601
|
4.9
|
38.6
|
1.0
|
|
C
|
B:ALA136
|
4.9
|
21.5
|
1.0
|
|
Fluorine binding site 2 out
of 18 in 7t61
Go back to
Fluorine Binding Sites List in 7t61
Fluorine binding site 2 out
of 18 in the P. Aeruginosa Lpxa in Complex with Ligand L15
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of P. Aeruginosa Lpxa in Complex with Ligand L15 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F601
b:38.2
occ:1.00
|
F10
|
B:FCU601
|
0.0
|
38.2
|
1.0
|
|
C08
|
B:FCU601
|
1.4
|
40.7
|
1.0
|
|
F11
|
B:FCU601
|
2.2
|
38.9
|
1.0
|
|
F09
|
B:FCU601
|
2.2
|
41.3
|
1.0
|
|
C07
|
B:FCU601
|
2.3
|
39.8
|
1.0
|
|
C12
|
B:FCU601
|
2.7
|
37.2
|
1.0
|
|
CB
|
B:ALA136
|
3.6
|
22.4
|
1.0
|
|
C06
|
B:FCU601
|
3.6
|
39.6
|
1.0
|
|
CA
|
A:GLY151
|
3.9
|
25.0
|
1.0
|
|
CB
|
A:ASN133
|
3.9
|
22.6
|
1.0
|
|
C03
|
B:FCU601
|
4.0
|
40.9
|
1.0
|
|
SD
|
A:MET169
|
4.0
|
38.6
|
0.5
|
|
CE1
|
A:TYR152
|
4.2
|
23.1
|
1.0
|
|
CG1
|
A:VAL132
|
4.2
|
24.2
|
1.0
|
|
CD1
|
A:TYR152
|
4.3
|
23.2
|
1.0
|
|
CG
|
A:ASN133
|
4.3
|
21.9
|
1.0
|
|
OD1
|
A:ASN133
|
4.5
|
19.4
|
1.0
|
|
C05
|
B:FCU601
|
4.7
|
38.9
|
1.0
|
|
O
|
A:ASN133
|
4.7
|
21.3
|
1.0
|
|
N
|
A:GLY151
|
4.7
|
23.4
|
1.0
|
|
C
|
A:GLY151
|
4.8
|
25.6
|
1.0
|
|
CA
|
B:ALA136
|
4.8
|
22.4
|
1.0
|
|
CE
|
A:MET169
|
4.8
|
42.4
|
0.5
|
|
C04
|
B:FCU601
|
4.9
|
38.6
|
1.0
|
|
C02
|
B:FCU601
|
4.9
|
40.2
|
1.0
|
|
CA
|
A:ASN133
|
4.9
|
22.1
|
1.0
|
|
N
|
A:ASN133
|
5.0
|
22.5
|
1.0
|
|
ND2
|
A:ASN133
|
5.0
|
23.3
|
1.0
|
|
C
|
B:ALA136
|
5.0
|
21.5
|
1.0
|
|
Fluorine binding site 3 out
of 18 in 7t61
Go back to
Fluorine Binding Sites List in 7t61
Fluorine binding site 3 out
of 18 in the P. Aeruginosa Lpxa in Complex with Ligand L15
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of P. Aeruginosa Lpxa in Complex with Ligand L15 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F601
b:38.9
occ:1.00
|
F11
|
B:FCU601
|
0.0
|
38.9
|
1.0
|
|
C08
|
B:FCU601
|
1.4
|
40.7
|
1.0
|
|
F10
|
B:FCU601
|
2.2
|
38.2
|
1.0
|
|
F09
|
B:FCU601
|
2.3
|
41.3
|
1.0
|
|
C07
|
B:FCU601
|
2.5
|
39.8
|
1.0
|
|
N
|
B:ALA138
|
3.2
|
23.7
|
1.0
|
|
C12
|
B:FCU601
|
3.2
|
37.2
|
1.0
|
|
CB
|
B:ALA136
|
3.2
|
22.4
|
1.0
|
|
CA
|
B:ALA138
|
3.3
|
25.5
|
1.0
|
|
C06
|
B:FCU601
|
3.4
|
39.6
|
1.0
|
|
C
|
B:ALA136
|
3.4
|
21.5
|
1.0
|
|
C
|
B:LEU137
|
3.4
|
22.6
|
1.0
|
|
O
|
B:ALA136
|
3.6
|
21.6
|
1.0
|
|
N
|
B:LEU137
|
3.6
|
22.3
|
1.0
|
|
CB
|
B:ALA138
|
3.8
|
28.2
|
1.0
|
|
O
|
B:LEU137
|
3.9
|
21.7
|
1.0
|
|
CA
|
B:ALA136
|
3.9
|
22.4
|
1.0
|
|
CA
|
B:LEU137
|
4.0
|
20.6
|
1.0
|
|
CD2
|
B:HIS118
|
4.1
|
24.4
|
1.0
|
|
O
|
B:VAL155
|
4.2
|
22.0
|
1.0
|
|
C03
|
B:FCU601
|
4.4
|
40.9
|
1.0
|
|
C05
|
B:FCU601
|
4.6
|
38.9
|
1.0
|
|
C
|
B:ALA138
|
4.7
|
27.9
|
1.0
|
|
SD
|
A:MET169
|
4.8
|
38.6
|
0.5
|
|
NE2
|
B:HIS118
|
4.9
|
23.6
|
1.0
|
|
Fluorine binding site 4 out
of 18 in 7t61
Go back to
Fluorine Binding Sites List in 7t61
Fluorine binding site 4 out
of 18 in the P. Aeruginosa Lpxa in Complex with Ligand L15
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of P. Aeruginosa Lpxa in Complex with Ligand L15 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F601
b:45.8
occ:1.00
|
F09
|
C:FCU601
|
0.0
|
45.8
|
1.0
|
|
C08
|
C:FCU601
|
1.4
|
48.9
|
1.0
|
|
F11
|
C:FCU601
|
2.2
|
48.0
|
1.0
|
|
F10
|
C:FCU601
|
2.2
|
55.8
|
1.0
|
|
C07
|
C:FCU601
|
2.3
|
52.6
|
1.0
|
|
C12
|
C:FCU601
|
2.6
|
54.9
|
1.0
|
|
C06
|
C:FCU601
|
3.6
|
53.6
|
1.0
|
|
CA
|
C:GLY151
|
3.7
|
23.1
|
1.0
|
|
CB
|
A:ALA136
|
3.9
|
22.4
|
1.0
|
|
C03
|
C:FCU601
|
4.0
|
60.4
|
1.0
|
|
CD1
|
C:TYR152
|
4.2
|
26.4
|
1.0
|
|
CB
|
C:ASN133
|
4.2
|
26.2
|
1.0
|
|
CE1
|
C:TYR152
|
4.2
|
25.1
|
1.0
|
|
CG1
|
C:VAL132
|
4.2
|
25.5
|
1.0
|
|
N
|
C:GLY151
|
4.5
|
25.0
|
1.0
|
|
CG
|
C:ASN133
|
4.6
|
29.7
|
1.0
|
|
C
|
C:GLY151
|
4.6
|
21.6
|
1.0
|
|
O
|
C:ASN133
|
4.6
|
20.0
|
1.0
|
|
CE
|
C:MET169
|
4.7
|
61.5
|
1.0
|
|
C05
|
C:FCU601
|
4.7
|
54.0
|
1.0
|
|
C04
|
C:FCU601
|
4.8
|
55.7
|
1.0
|
|
OD1
|
C:ASN133
|
4.8
|
28.3
|
1.0
|
|
SD
|
C:MET169
|
4.8
|
53.5
|
1.0
|
|
C02
|
C:FCU601
|
4.8
|
57.3
|
1.0
|
|
CG
|
C:MET169
|
4.9
|
46.6
|
1.0
|
|
N
|
C:ASN133
|
5.0
|
23.7
|
1.0
|
|
O01
|
C:FCU601
|
5.0
|
47.4
|
1.0
|
|
Fluorine binding site 5 out
of 18 in 7t61
Go back to
Fluorine Binding Sites List in 7t61
Fluorine binding site 5 out
of 18 in the P. Aeruginosa Lpxa in Complex with Ligand L15
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of P. Aeruginosa Lpxa in Complex with Ligand L15 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F601
b:55.8
occ:1.00
|
F10
|
C:FCU601
|
0.0
|
55.8
|
1.0
|
|
C08
|
C:FCU601
|
1.4
|
48.9
|
1.0
|
|
F11
|
C:FCU601
|
2.2
|
48.0
|
1.0
|
|
F09
|
C:FCU601
|
2.2
|
45.8
|
1.0
|
|
C07
|
C:FCU601
|
2.3
|
52.6
|
1.0
|
|
C12
|
C:FCU601
|
3.1
|
54.9
|
1.0
|
|
CA
|
A:ALA138
|
3.2
|
25.8
|
1.0
|
|
C06
|
C:FCU601
|
3.2
|
53.6
|
1.0
|
|
N
|
A:ALA138
|
3.3
|
23.2
|
1.0
|
|
CB
|
A:ALA136
|
3.4
|
22.4
|
1.0
|
|
CB
|
A:ALA138
|
3.6
|
25.5
|
1.0
|
|
O
|
A:ALA136
|
3.6
|
21.4
|
1.0
|
|
C
|
A:ALA136
|
3.6
|
21.9
|
1.0
|
|
C
|
A:LEU137
|
3.7
|
23.6
|
1.0
|
|
N
|
A:LEU137
|
4.0
|
23.3
|
1.0
|
|
CA
|
A:ALA136
|
4.1
|
24.6
|
1.0
|
|
O
|
A:LEU137
|
4.2
|
22.6
|
1.0
|
|
CD2
|
A:HIS118
|
4.2
|
26.5
|
1.0
|
|
O
|
A:VAL155
|
4.3
|
23.7
|
1.0
|
|
C03
|
C:FCU601
|
4.3
|
60.4
|
1.0
|
|
CA
|
A:LEU137
|
4.3
|
24.8
|
1.0
|
|
C05
|
C:FCU601
|
4.4
|
54.0
|
1.0
|
|
CE
|
C:MET169
|
4.5
|
61.5
|
1.0
|
|
C
|
A:ALA138
|
4.6
|
26.7
|
1.0
|
|
C04
|
C:FCU601
|
4.9
|
55.7
|
1.0
|
|
Fluorine binding site 6 out
of 18 in 7t61
Go back to
Fluorine Binding Sites List in 7t61
Fluorine binding site 6 out
of 18 in the P. Aeruginosa Lpxa in Complex with Ligand L15
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of P. Aeruginosa Lpxa in Complex with Ligand L15 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F601
b:48.0
occ:1.00
|
F11
|
C:FCU601
|
0.0
|
48.0
|
1.0
|
|
C08
|
C:FCU601
|
1.4
|
48.9
|
1.0
|
|
F09
|
C:FCU601
|
2.2
|
45.8
|
1.0
|
|
F10
|
C:FCU601
|
2.2
|
55.8
|
1.0
|
|
C07
|
C:FCU601
|
2.4
|
52.6
|
1.0
|
|
C06
|
C:FCU601
|
2.8
|
53.6
|
1.0
|
|
CG
|
C:ASN133
|
3.2
|
29.7
|
1.0
|
|
CD2
|
A:HIS118
|
3.3
|
26.5
|
1.0
|
|
ND2
|
C:ASN133
|
3.4
|
28.6
|
1.0
|
|
OD1
|
C:ASN133
|
3.5
|
28.3
|
1.0
|
|
CB
|
C:ASN133
|
3.5
|
26.2
|
1.0
|
|
C12
|
C:FCU601
|
3.6
|
54.9
|
1.0
|
|
CB
|
A:ALA136
|
3.9
|
22.4
|
1.0
|
|
NE2
|
A:HIS118
|
4.0
|
27.5
|
1.0
|
|
CG
|
A:HIS118
|
4.0
|
28.4
|
1.0
|
|
C05
|
C:FCU601
|
4.2
|
54.0
|
1.0
|
|
CB
|
A:HIS118
|
4.6
|
26.4
|
1.0
|
|
CA
|
A:ALA138
|
4.6
|
25.8
|
1.0
|
|
O
|
A:HOH808
|
4.6
|
26.7
|
1.0
|
|
CG1
|
C:VAL132
|
4.7
|
25.5
|
1.0
|
|
C03
|
C:FCU601
|
4.7
|
60.4
|
1.0
|
|
CA
|
C:ASN133
|
4.8
|
22.2
|
1.0
|
|
CA
|
A:ALA136
|
4.8
|
24.6
|
1.0
|
|
O
|
C:HOH720
|
4.8
|
31.0
|
1.0
|
|
N
|
C:ASN133
|
4.9
|
23.7
|
1.0
|
|
CE1
|
A:HIS118
|
4.9
|
31.6
|
1.0
|
|
O
|
C:HOH701
|
4.9
|
27.9
|
1.0
|
|
ND1
|
A:HIS118
|
4.9
|
26.6
|
1.0
|
|
N
|
A:ALA138
|
4.9
|
23.2
|
1.0
|
|
C04
|
C:FCU601
|
5.0
|
55.7
|
1.0
|
|
C
|
A:ALA136
|
5.0
|
21.9
|
1.0
|
|
Fluorine binding site 7 out
of 18 in 7t61
Go back to
Fluorine Binding Sites List in 7t61
Fluorine binding site 7 out
of 18 in the P. Aeruginosa Lpxa in Complex with Ligand L15
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of P. Aeruginosa Lpxa in Complex with Ligand L15 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F602
b:46.8
occ:1.00
|
F09
|
C:FCU602
|
0.0
|
46.8
|
1.0
|
|
C08
|
C:FCU602
|
1.4
|
40.5
|
1.0
|
|
F11
|
C:FCU602
|
2.2
|
43.0
|
1.0
|
|
F10
|
C:FCU602
|
2.2
|
42.9
|
1.0
|
|
C07
|
C:FCU602
|
2.4
|
36.2
|
1.0
|
|
C12
|
C:FCU602
|
2.7
|
37.7
|
1.0
|
|
CB
|
C:ALA136
|
3.5
|
26.6
|
1.0
|
|
C06
|
C:FCU602
|
3.6
|
39.0
|
1.0
|
|
CA
|
B:GLY151
|
4.0
|
23.8
|
1.0
|
|
C03
|
C:FCU602
|
4.1
|
42.1
|
1.0
|
|
SD
|
B:MET169
|
4.1
|
44.6
|
1.0
|
|
CB
|
B:ASN133
|
4.1
|
24.1
|
1.0
|
|
CD1
|
B:TYR152
|
4.1
|
23.3
|
1.0
|
|
CE1
|
B:TYR152
|
4.2
|
23.3
|
1.0
|
|
CG1
|
B:VAL132
|
4.4
|
26.8
|
1.0
|
|
CG
|
B:ASN133
|
4.5
|
25.1
|
1.0
|
|
C05
|
C:FCU602
|
4.7
|
41.6
|
1.0
|
|
O
|
B:ASN133
|
4.7
|
24.2
|
1.0
|
|
CA
|
C:ALA136
|
4.7
|
25.2
|
1.0
|
|
OD1
|
B:ASN133
|
4.7
|
26.9
|
1.0
|
|
C
|
B:GLY151
|
4.8
|
24.9
|
1.0
|
|
O
|
C:ALA136
|
4.8
|
27.4
|
1.0
|
|
N
|
B:GLY151
|
4.8
|
24.1
|
1.0
|
|
C04
|
C:FCU602
|
4.9
|
44.4
|
1.0
|
|
C
|
C:ALA136
|
4.9
|
27.1
|
1.0
|
|
ND2
|
B:ASN133
|
5.0
|
27.2
|
1.0
|
|
C02
|
C:FCU602
|
5.0
|
42.4
|
1.0
|
|
Fluorine binding site 8 out
of 18 in 7t61
Go back to
Fluorine Binding Sites List in 7t61
Fluorine binding site 8 out
of 18 in the P. Aeruginosa Lpxa in Complex with Ligand L15
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of P. Aeruginosa Lpxa in Complex with Ligand L15 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F602
b:42.9
occ:1.00
|
F10
|
C:FCU602
|
0.0
|
42.9
|
1.0
|
|
C08
|
C:FCU602
|
1.4
|
40.5
|
1.0
|
|
F09
|
C:FCU602
|
2.2
|
46.8
|
1.0
|
|
F11
|
C:FCU602
|
2.3
|
43.0
|
1.0
|
|
C07
|
C:FCU602
|
2.4
|
36.2
|
1.0
|
|
C12
|
C:FCU602
|
3.1
|
37.7
|
1.0
|
|
C06
|
C:FCU602
|
3.3
|
39.0
|
1.0
|
|
N
|
C:ALA138
|
3.3
|
28.7
|
1.0
|
|
CB
|
C:ALA136
|
3.3
|
26.6
|
1.0
|
|
CA
|
C:ALA138
|
3.3
|
29.9
|
1.0
|
|
C
|
C:ALA136
|
3.4
|
27.1
|
1.0
|
|
O
|
C:ALA136
|
3.5
|
27.4
|
1.0
|
|
C
|
C:LEU137
|
3.5
|
27.5
|
1.0
|
|
CB
|
C:ALA138
|
3.7
|
34.7
|
1.0
|
|
N
|
C:LEU137
|
3.8
|
26.4
|
1.0
|
|
O
|
C:LEU137
|
3.8
|
32.1
|
1.0
|
|
CA
|
C:ALA136
|
3.9
|
25.2
|
1.0
|
|
CD2
|
C:HIS118
|
4.1
|
29.9
|
1.0
|
|
CA
|
C:LEU137
|
4.1
|
28.4
|
1.0
|
|
O
|
C:VAL155
|
4.3
|
24.6
|
1.0
|
|
C03
|
C:FCU602
|
4.3
|
42.1
|
1.0
|
|
C05
|
C:FCU602
|
4.5
|
41.6
|
1.0
|
|
C
|
C:ALA138
|
4.7
|
33.0
|
1.0
|
|
SD
|
B:MET169
|
4.8
|
44.6
|
1.0
|
|
NE2
|
C:HIS118
|
4.8
|
31.1
|
1.0
|
|
C04
|
C:FCU602
|
4.9
|
44.4
|
1.0
|
|
Fluorine binding site 9 out
of 18 in 7t61
Go back to
Fluorine Binding Sites List in 7t61
Fluorine binding site 9 out
of 18 in the P. Aeruginosa Lpxa in Complex with Ligand L15
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of P. Aeruginosa Lpxa in Complex with Ligand L15 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F602
b:43.0
occ:1.00
|
F11
|
C:FCU602
|
0.0
|
43.0
|
1.0
|
|
C08
|
C:FCU602
|
1.3
|
40.5
|
1.0
|
|
F09
|
C:FCU602
|
2.2
|
46.8
|
1.0
|
|
F10
|
C:FCU602
|
2.3
|
42.9
|
1.0
|
|
C07
|
C:FCU602
|
2.3
|
36.2
|
1.0
|
|
C06
|
C:FCU602
|
2.7
|
39.0
|
1.0
|
|
CG
|
B:ASN133
|
3.2
|
25.1
|
1.0
|
|
CD2
|
C:HIS118
|
3.2
|
29.9
|
1.0
|
|
ND2
|
B:ASN133
|
3.2
|
27.2
|
1.0
|
|
OD1
|
B:ASN133
|
3.4
|
26.9
|
1.0
|
|
C12
|
C:FCU602
|
3.5
|
37.7
|
1.0
|
|
CB
|
B:ASN133
|
3.5
|
24.1
|
1.0
|
|
CB
|
C:ALA136
|
3.9
|
26.6
|
1.0
|
|
NE2
|
C:HIS118
|
3.9
|
31.1
|
1.0
|
|
CG
|
C:HIS118
|
4.0
|
27.7
|
1.0
|
|
C05
|
C:FCU602
|
4.1
|
41.6
|
1.0
|
|
O
|
C:HOH716
|
4.4
|
28.5
|
1.0
|
|
CB
|
C:HIS118
|
4.5
|
28.2
|
1.0
|
|
O
|
B:HOH743
|
4.6
|
34.3
|
1.0
|
|
CA
|
C:ALA138
|
4.6
|
29.9
|
1.0
|
|
C03
|
C:FCU602
|
4.6
|
42.1
|
1.0
|
|
CG1
|
B:VAL132
|
4.7
|
26.8
|
1.0
|
|
O
|
C:LEU137
|
4.8
|
32.1
|
1.0
|
|
CA
|
C:ALA136
|
4.8
|
25.2
|
1.0
|
|
CE1
|
C:HIS118
|
4.8
|
31.8
|
1.0
|
|
CA
|
B:ASN133
|
4.8
|
21.5
|
1.0
|
|
C04
|
C:FCU602
|
4.9
|
44.4
|
1.0
|
|
ND1
|
C:HIS118
|
4.9
|
29.8
|
1.0
|
|
O
|
B:HOH718
|
4.9
|
35.5
|
1.0
|
|
N
|
B:ASN133
|
4.9
|
22.9
|
1.0
|
|
C
|
C:ALA136
|
5.0
|
27.1
|
1.0
|
|
N
|
C:ALA138
|
5.0
|
28.7
|
1.0
|
|
C
|
C:LEU137
|
5.0
|
27.5
|
1.0
|
|
Fluorine binding site 10 out
of 18 in 7t61
Go back to
Fluorine Binding Sites List in 7t61
Fluorine binding site 10 out
of 18 in the P. Aeruginosa Lpxa in Complex with Ligand L15
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of P. Aeruginosa Lpxa in Complex with Ligand L15 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F301
b:54.5
occ:1.00
|
F09
|
D:FCU301
|
0.0
|
54.5
|
1.0
|
|
C08
|
D:FCU301
|
1.4
|
50.6
|
1.0
|
|
F11
|
D:FCU301
|
2.2
|
46.6
|
1.0
|
|
F10
|
D:FCU301
|
2.3
|
53.3
|
1.0
|
|
C07
|
D:FCU301
|
2.3
|
55.0
|
1.0
|
|
C12
|
D:FCU301
|
3.1
|
57.1
|
1.0
|
|
C06
|
D:FCU301
|
3.1
|
56.9
|
1.0
|
|
CA
|
D:ALA138
|
3.2
|
27.4
|
1.0
|
|
N
|
D:ALA138
|
3.3
|
25.7
|
1.0
|
|
CB
|
D:ALA136
|
3.4
|
21.7
|
1.0
|
|
C
|
D:LEU137
|
3.6
|
26.5
|
1.0
|
|
CB
|
D:ALA138
|
3.6
|
30.5
|
1.0
|
|
C
|
D:ALA136
|
3.7
|
24.1
|
1.0
|
|
O
|
D:ALA136
|
3.8
|
27.6
|
1.0
|
|
O
|
D:LEU137
|
3.9
|
30.2
|
1.0
|
|
CD2
|
D:HIS118
|
3.9
|
28.9
|
1.0
|
|
N
|
D:LEU137
|
4.0
|
23.7
|
1.0
|
|
CA
|
D:ALA136
|
4.0
|
21.7
|
1.0
|
|
C03
|
D:FCU301
|
4.3
|
65.2
|
1.0
|
|
CA
|
D:LEU137
|
4.4
|
25.4
|
1.0
|
|
C05
|
D:FCU301
|
4.4
|
61.1
|
1.0
|
|
C
|
D:ALA138
|
4.5
|
28.0
|
1.0
|
|
NE2
|
D:HIS118
|
4.7
|
31.3
|
1.0
|
|
O
|
D:VAL155
|
4.7
|
22.1
|
1.0
|
|
O
|
D:ALA138
|
4.8
|
27.2
|
1.0
|
|
C04
|
D:FCU301
|
4.8
|
64.2
|
1.0
|
|
CG
|
D:HIS118
|
4.9
|
30.8
|
1.0
|
|
O
|
D:HOH417
|
5.0
|
30.2
|
1.0
|
|
Reference:
M.D.Sacco,
K.Defrees,
X.Zhang,
W.Lawless,
E.Nwanochie,
A.Balsizer,
S.E.Darch,
A.R.Renslo,
Y.Chen.
Structure-Based Ligand Design Targeting Pseudomonas Aeruginosa Lpxa in Lipid A Biosynthesis. Acs Infect Dis. V. 8 1231 2022.
ISSN: ESSN 2373-8227
PubMed: 35653508
DOI: 10.1021/ACSINFECDIS.1C00650
Page generated: Fri Aug 2 13:19:33 2024
|
