Fluorine in PDB 7fxg: Crystal Structure of Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol
Protein crystallography data
The structure of Crystal Structure of Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol, PDB code: 7fxg
was solved by
A.Ehler,
J.Benz,
U.Obst,
Y.Steudler,
M.G.Rudolph,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
43.69 /
1.12
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
32.427,
53.653,
75.245,
90,
90,
90
|
|
R / Rfree (%)
|
13.6 /
16
|
Other elements in 7fxg:
The structure of Crystal Structure of Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol also contains other interesting chemical elements:
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Fluorine atom in the Crystal Structure of Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol
(pdb code 7fxg). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the
Crystal Structure of Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol, PDB code: 7fxg:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 12 in 7fxg
Go back to
Fluorine Binding Sites List in 7fxg
Fluorine binding site 1 out
of 12 in the Crystal Structure of Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol
 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 Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F203
b:15.3
occ:0.50
|
F3
|
A:RG6203
|
0.0
|
15.3
|
0.5
|
|
F3
|
A:RG6203
|
0.6
|
27.0
|
0.5
|
|
C1
|
A:RG6203
|
1.3
|
16.3
|
0.5
|
|
C1
|
A:RG6203
|
1.5
|
20.4
|
0.5
|
|
F4
|
A:RG6203
|
2.0
|
29.4
|
0.5
|
|
F5
|
A:RG6203
|
2.1
|
15.2
|
0.5
|
|
F4
|
A:RG6203
|
2.2
|
17.7
|
0.5
|
|
S2
|
A:RG6203
|
2.4
|
14.5
|
0.5
|
|
S2
|
A:RG6203
|
2.5
|
18.2
|
0.5
|
|
F5
|
A:RG6203
|
2.7
|
16.3
|
0.5
|
|
HG
|
A:SER55
|
2.7
|
11.8
|
1.0
|
|
HB3
|
A:ALA36
|
2.9
|
10.9
|
1.0
|
|
HD2
|
A:PHE57
|
2.9
|
16.4
|
1.0
|
|
HB1
|
A:ALA36
|
3.0
|
11.0
|
1.0
|
|
HG3
|
A:PRO38
|
3.0
|
15.5
|
1.0
|
|
OG
|
A:SER55
|
3.1
|
11.8
|
1.0
|
|
O
|
A:HOH344
|
3.2
|
10.0
|
0.5
|
|
CB
|
A:ALA36
|
3.3
|
11.5
|
1.0
|
|
HB3
|
A:PHE57
|
3.3
|
12.2
|
1.0
|
|
HB2
|
A:ALA36
|
3.4
|
10.7
|
1.0
|
|
HB3
|
A:SER55
|
3.6
|
11.2
|
1.0
|
|
HB3
|
A:PRO38
|
3.7
|
12.1
|
1.0
|
|
C6
|
A:RG6203
|
3.8
|
12.6
|
0.5
|
|
CB
|
A:SER55
|
3.8
|
11.7
|
1.0
|
|
HD3
|
A:PRO38
|
3.8
|
11.1
|
1.0
|
|
CD2
|
A:PHE57
|
3.8
|
16.3
|
1.0
|
|
CG
|
A:PRO38
|
3.9
|
16.9
|
1.0
|
|
HB2
|
A:SER55
|
4.0
|
11.3
|
1.0
|
|
C6
|
A:RG6203
|
4.0
|
16.7
|
0.5
|
|
CB
|
A:PHE57
|
4.2
|
11.8
|
1.0
|
|
H
|
A:LYS58
|
4.3
|
11.0
|
0.5
|
|
CB
|
A:PRO38
|
4.3
|
12.0
|
1.0
|
|
CD
|
A:PRO38
|
4.4
|
11.9
|
1.0
|
|
HA
|
A:ALA33
|
4.4
|
8.7
|
1.0
|
|
H
|
A:LYS58
|
4.4
|
11.4
|
0.5
|
|
H19
|
A:RG6203
|
4.4
|
14.1
|
0.5
|
|
H19
|
A:RG6203
|
4.5
|
15.8
|
0.5
|
|
CG
|
A:PHE57
|
4.5
|
13.8
|
1.0
|
|
HG2
|
A:PRO38
|
4.5
|
15.6
|
1.0
|
|
HB2
|
A:PHE57
|
4.5
|
12.2
|
1.0
|
|
C8
|
A:RG6203
|
4.6
|
14.4
|
0.5
|
|
O
|
A:HOH391
|
4.6
|
20.8
|
1.0
|
|
C7
|
A:RG6203
|
4.6
|
11.0
|
0.5
|
|
O
|
A:ALA33
|
4.6
|
9.6
|
1.0
|
|
HB2
|
A:LYS58
|
4.7
|
11.4
|
0.5
|
|
O10
|
A:RG6203
|
4.7
|
10.9
|
0.5
|
|
H
|
A:PHE57
|
4.7
|
10.2
|
1.0
|
|
HB1
|
A:ALA33
|
4.7
|
9.9
|
1.0
|
|
C8
|
A:RG6203
|
4.7
|
16.8
|
0.5
|
|
HH22
|
A:ARG126
|
4.7
|
12.6
|
1.0
|
|
CA
|
A:ALA36
|
4.7
|
10.0
|
1.0
|
|
H20
|
A:RG6203
|
4.7
|
12.1
|
0.5
|
|
O
|
A:LYS58
|
4.8
|
27.8
|
0.5
|
|
OG
|
A:SER53
|
4.8
|
20.1
|
1.0
|
|
HE2
|
A:PHE57
|
4.8
|
18.0
|
1.0
|
|
H20
|
A:RG6203
|
4.8
|
19.7
|
0.5
|
|
CE2
|
A:PHE57
|
4.8
|
21.1
|
1.0
|
|
HH21
|
A:ARG126
|
4.9
|
13.1
|
1.0
|
|
HB3
|
A:LYS58
|
4.9
|
16.9
|
0.5
|
|
O
|
A:HOH349
|
4.9
|
11.7
|
1.0
|
|
N
|
A:LYS58
|
4.9
|
11.8
|
0.5
|
|
C7
|
A:RG6203
|
5.0
|
19.0
|
0.5
|
|
HB1
|
A:ALA75
|
5.0
|
12.2
|
1.0
|
|
N
|
A:LYS58
|
5.0
|
12.0
|
0.5
|
|
Fluorine binding site 2 out
of 12 in 7fxg
Go back to
Fluorine Binding Sites List in 7fxg
Fluorine binding site 2 out
of 12 in the Crystal Structure of Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol
 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 Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F203
b:27.0
occ:0.50
|
F3
|
A:RG6203
|
0.0
|
27.0
|
0.5
|
|
F3
|
A:RG6203
|
0.6
|
15.3
|
0.5
|
|
C1
|
A:RG6203
|
1.1
|
16.3
|
0.5
|
|
C1
|
A:RG6203
|
1.3
|
20.4
|
0.5
|
|
F5
|
A:RG6203
|
1.6
|
15.2
|
0.5
|
|
F4
|
A:RG6203
|
2.2
|
29.4
|
0.5
|
|
F5
|
A:RG6203
|
2.3
|
16.3
|
0.5
|
|
F4
|
A:RG6203
|
2.3
|
17.7
|
0.5
|
|
S2
|
A:RG6203
|
2.3
|
14.5
|
0.5
|
|
HG3
|
A:PRO38
|
2.4
|
15.5
|
1.0
|
|
S2
|
A:RG6203
|
2.4
|
18.2
|
0.5
|
|
HG
|
A:SER55
|
2.9
|
11.8
|
1.0
|
|
O
|
A:HOH344
|
3.0
|
10.0
|
0.5
|
|
HB3
|
A:ALA36
|
3.2
|
10.9
|
1.0
|
|
HB1
|
A:ALA36
|
3.2
|
11.0
|
1.0
|
|
HB3
|
A:PRO38
|
3.2
|
12.1
|
1.0
|
|
OG
|
A:SER55
|
3.3
|
11.8
|
1.0
|
|
CG
|
A:PRO38
|
3.3
|
16.9
|
1.0
|
|
HB3
|
A:SER55
|
3.5
|
11.2
|
1.0
|
|
HD2
|
A:PHE57
|
3.5
|
16.4
|
1.0
|
|
HD3
|
A:PRO38
|
3.5
|
11.1
|
1.0
|
|
C6
|
A:RG6203
|
3.6
|
12.6
|
0.5
|
|
CB
|
A:ALA36
|
3.6
|
11.5
|
1.0
|
|
CB
|
A:PRO38
|
3.8
|
12.0
|
1.0
|
|
C6
|
A:RG6203
|
3.8
|
16.7
|
0.5
|
|
CB
|
A:SER55
|
3.9
|
11.7
|
1.0
|
|
HB2
|
A:ALA36
|
3.9
|
10.7
|
1.0
|
|
HB3
|
A:PHE57
|
3.9
|
12.2
|
1.0
|
|
HG2
|
A:PRO38
|
4.0
|
15.6
|
1.0
|
|
CD
|
A:PRO38
|
4.0
|
11.9
|
1.0
|
|
HB2
|
A:SER55
|
4.1
|
11.3
|
1.0
|
|
H20
|
A:RG6203
|
4.2
|
12.1
|
0.5
|
|
O10
|
A:RG6203
|
4.2
|
10.9
|
0.5
|
|
C7
|
A:RG6203
|
4.3
|
11.0
|
0.5
|
|
H20
|
A:RG6203
|
4.3
|
19.7
|
0.5
|
|
OG
|
A:SER53
|
4.3
|
20.1
|
1.0
|
|
HH22
|
A:ARG126
|
4.4
|
12.6
|
1.0
|
|
HH21
|
A:ARG126
|
4.4
|
13.1
|
1.0
|
|
CD2
|
A:PHE57
|
4.4
|
16.3
|
1.0
|
|
HB2
|
A:PRO38
|
4.5
|
12.9
|
1.0
|
|
O
|
A:HOH391
|
4.5
|
20.8
|
1.0
|
|
HG
|
A:SER53
|
4.5
|
17.7
|
1.0
|
|
C8
|
A:RG6203
|
4.5
|
14.4
|
0.5
|
|
H19
|
A:RG6203
|
4.5
|
14.1
|
0.5
|
|
H19
|
A:RG6203
|
4.5
|
15.8
|
0.5
|
|
O10
|
A:RG6203
|
4.6
|
23.1
|
0.5
|
|
C8
|
A:RG6203
|
4.6
|
16.8
|
0.5
|
|
C7
|
A:RG6203
|
4.6
|
19.0
|
0.5
|
|
H
|
A:LYS58
|
4.7
|
11.0
|
0.5
|
|
HD2
|
A:PRO38
|
4.7
|
12.1
|
1.0
|
|
NH2
|
A:ARG126
|
4.7
|
12.6
|
1.0
|
|
CA
|
A:PRO38
|
4.8
|
11.1
|
1.0
|
|
HA
|
A:PRO38
|
4.8
|
10.8
|
1.0
|
|
N
|
A:PRO38
|
4.8
|
10.5
|
1.0
|
|
CB
|
A:PHE57
|
4.8
|
11.8
|
1.0
|
|
H
|
A:LYS58
|
4.8
|
11.4
|
0.5
|
|
O
|
A:LYS58
|
4.9
|
27.8
|
0.5
|
|
O
|
A:HOH349
|
4.9
|
11.7
|
1.0
|
|
O
|
A:ALA33
|
4.9
|
9.6
|
1.0
|
|
HA
|
A:ALA33
|
4.9
|
8.7
|
1.0
|
|
HB2
|
A:LYS58
|
4.9
|
11.4
|
0.5
|
|
CA
|
A:ALA36
|
4.9
|
10.0
|
1.0
|
|
Fluorine binding site 3 out
of 12 in 7fxg
Go back to
Fluorine Binding Sites List in 7fxg
Fluorine binding site 3 out
of 12 in the Crystal Structure of Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol
 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 Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F203
b:17.7
occ:0.50
|
F4
|
A:RG6203
|
0.0
|
17.7
|
0.5
|
|
F4
|
A:RG6203
|
0.4
|
29.4
|
0.5
|
|
C1
|
A:RG6203
|
1.3
|
20.4
|
0.5
|
|
C1
|
A:RG6203
|
1.3
|
16.3
|
0.5
|
|
F5
|
A:RG6203
|
1.9
|
16.3
|
0.5
|
|
F5
|
A:RG6203
|
2.1
|
15.2
|
0.5
|
|
F3
|
A:RG6203
|
2.2
|
15.3
|
0.5
|
|
F3
|
A:RG6203
|
2.3
|
27.0
|
0.5
|
|
S2
|
A:RG6203
|
2.6
|
14.5
|
0.5
|
|
S2
|
A:RG6203
|
2.6
|
18.2
|
0.5
|
|
HD2
|
A:PHE57
|
2.7
|
16.4
|
1.0
|
|
C6
|
A:RG6203
|
2.9
|
12.6
|
0.5
|
|
H19
|
A:RG6203
|
2.9
|
15.8
|
0.5
|
|
H19
|
A:RG6203
|
3.0
|
14.1
|
0.5
|
|
HB1
|
A:ALA75
|
3.1
|
12.2
|
1.0
|
|
C6
|
A:RG6203
|
3.1
|
16.7
|
0.5
|
|
C8
|
A:RG6203
|
3.1
|
14.4
|
0.5
|
|
O
|
A:HOH391
|
3.2
|
20.8
|
1.0
|
|
C8
|
A:RG6203
|
3.2
|
16.8
|
0.5
|
|
HB2
|
A:ALA75
|
3.3
|
12.8
|
1.0
|
|
HB3
|
A:ALA75
|
3.3
|
12.7
|
1.0
|
|
CB
|
A:ALA75
|
3.4
|
12.7
|
1.0
|
|
O
|
A:HOH344
|
3.4
|
10.0
|
0.5
|
|
CD2
|
A:PHE57
|
3.5
|
16.3
|
1.0
|
|
HE2
|
A:PHE57
|
3.6
|
18.0
|
1.0
|
|
HB2
|
A:LYS58
|
3.7
|
11.4
|
0.5
|
|
C7
|
A:RG6203
|
3.9
|
11.0
|
0.5
|
|
HB3
|
A:LYS58
|
3.9
|
16.9
|
0.5
|
|
HG
|
A:SER55
|
3.9
|
11.8
|
1.0
|
|
CE2
|
A:PHE57
|
4.0
|
21.1
|
1.0
|
|
O
|
A:HOH444
|
4.0
|
23.9
|
1.0
|
|
C11
|
A:RG6203
|
4.2
|
12.7
|
0.5
|
|
C7
|
A:RG6203
|
4.3
|
19.0
|
0.5
|
|
HB3
|
A:PHE57
|
4.3
|
12.2
|
1.0
|
|
C11
|
A:RG6203
|
4.4
|
13.9
|
0.5
|
|
HG3
|
A:PRO38
|
4.4
|
15.5
|
1.0
|
|
HB1
|
A:ALA33
|
4.4
|
9.9
|
1.0
|
|
O10
|
A:RG6203
|
4.5
|
10.9
|
0.5
|
|
OG
|
A:SER55
|
4.5
|
11.8
|
1.0
|
|
H20
|
A:RG6203
|
4.5
|
12.1
|
0.5
|
|
H20
|
A:RG6203
|
4.7
|
19.7
|
0.5
|
|
CG
|
A:PHE57
|
4.7
|
13.8
|
1.0
|
|
CB
|
A:LYS58
|
4.7
|
11.7
|
0.5
|
|
O
|
A:LYS58
|
4.7
|
27.8
|
0.5
|
|
H
|
A:LYS58
|
4.7
|
11.0
|
0.5
|
|
OG
|
A:SER53
|
4.7
|
20.1
|
1.0
|
|
CB
|
A:LYS58
|
4.8
|
17.5
|
0.5
|
|
HB3
|
A:ALA36
|
4.8
|
10.9
|
1.0
|
|
C9
|
A:RG6203
|
4.8
|
13.5
|
0.5
|
|
HB2
|
A:LYS58
|
4.8
|
15.9
|
0.5
|
|
O10
|
A:RG6203
|
4.8
|
23.1
|
0.5
|
|
H
|
A:LYS58
|
4.9
|
11.4
|
0.5
|
|
HG3
|
A:LYS58
|
4.9
|
12.0
|
0.5
|
|
CA
|
A:ALA75
|
4.9
|
11.7
|
1.0
|
|
C12
|
A:RG6203
|
4.9
|
14.5
|
0.5
|
|
HG2
|
A:LYS58
|
4.9
|
12.2
|
0.5
|
|
CB
|
A:PHE57
|
5.0
|
11.8
|
1.0
|
|
Fluorine binding site 4 out
of 12 in 7fxg
Go back to
Fluorine Binding Sites List in 7fxg
Fluorine binding site 4 out
of 12 in the Crystal Structure of Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol
 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 Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F203
b:29.4
occ:0.50
|
F4
|
A:RG6203
|
0.0
|
29.4
|
0.5
|
|
F4
|
A:RG6203
|
0.4
|
17.7
|
0.5
|
|
C1
|
A:RG6203
|
1.3
|
20.4
|
0.5
|
|
C1
|
A:RG6203
|
1.3
|
16.3
|
0.5
|
|
F3
|
A:RG6203
|
2.0
|
15.3
|
0.5
|
|
F3
|
A:RG6203
|
2.2
|
27.0
|
0.5
|
|
F5
|
A:RG6203
|
2.2
|
16.3
|
0.5
|
|
F5
|
A:RG6203
|
2.3
|
15.2
|
0.5
|
|
HD2
|
A:PHE57
|
2.3
|
16.4
|
1.0
|
|
S2
|
A:RG6203
|
2.6
|
14.5
|
0.5
|
|
S2
|
A:RG6203
|
2.6
|
18.2
|
0.5
|
|
H19
|
A:RG6203
|
3.1
|
15.8
|
0.5
|
|
H19
|
A:RG6203
|
3.1
|
14.1
|
0.5
|
|
C6
|
A:RG6203
|
3.1
|
12.6
|
0.5
|
|
HB1
|
A:ALA75
|
3.1
|
12.2
|
1.0
|
|
CD2
|
A:PHE57
|
3.2
|
16.3
|
1.0
|
|
C6
|
A:RG6203
|
3.3
|
16.7
|
0.5
|
|
C8
|
A:RG6203
|
3.3
|
14.4
|
0.5
|
|
HE2
|
A:PHE57
|
3.4
|
18.0
|
1.0
|
|
O
|
A:HOH391
|
3.4
|
20.8
|
1.0
|
|
C8
|
A:RG6203
|
3.4
|
16.8
|
0.5
|
|
O
|
A:HOH344
|
3.5
|
10.0
|
0.5
|
|
HB2
|
A:ALA75
|
3.5
|
12.8
|
1.0
|
|
HB3
|
A:ALA75
|
3.5
|
12.7
|
1.0
|
|
CB
|
A:ALA75
|
3.5
|
12.7
|
1.0
|
|
HB2
|
A:LYS58
|
3.6
|
11.4
|
0.5
|
|
CE2
|
A:PHE57
|
3.7
|
21.1
|
1.0
|
|
HG
|
A:SER55
|
3.7
|
11.8
|
1.0
|
|
HB3
|
A:LYS58
|
3.8
|
16.9
|
0.5
|
|
HB3
|
A:PHE57
|
3.9
|
12.2
|
1.0
|
|
C7
|
A:RG6203
|
4.2
|
11.0
|
0.5
|
|
HB1
|
A:ALA33
|
4.2
|
9.9
|
1.0
|
|
OG
|
A:SER55
|
4.3
|
11.8
|
1.0
|
|
CG
|
A:PHE57
|
4.3
|
13.8
|
1.0
|
|
HG3
|
A:PRO38
|
4.4
|
15.5
|
1.0
|
|
O
|
A:HOH444
|
4.4
|
23.9
|
1.0
|
|
H
|
A:LYS58
|
4.5
|
11.0
|
0.5
|
|
C11
|
A:RG6203
|
4.5
|
12.7
|
0.5
|
|
C7
|
A:RG6203
|
4.5
|
19.0
|
0.5
|
|
HB3
|
A:ALA36
|
4.5
|
10.9
|
1.0
|
|
CB
|
A:LYS58
|
4.6
|
11.7
|
0.5
|
|
CB
|
A:PHE57
|
4.6
|
11.8
|
1.0
|
|
HB2
|
A:LYS58
|
4.6
|
15.9
|
0.5
|
|
CB
|
A:LYS58
|
4.6
|
17.5
|
0.5
|
|
H
|
A:LYS58
|
4.6
|
11.4
|
0.5
|
|
O
|
A:LYS58
|
4.6
|
27.8
|
0.5
|
|
C11
|
A:RG6203
|
4.6
|
13.9
|
0.5
|
|
HA
|
A:ALA33
|
4.7
|
8.7
|
1.0
|
|
HG2
|
A:LYS58
|
4.7
|
12.2
|
0.5
|
|
O10
|
A:RG6203
|
4.7
|
10.9
|
0.5
|
|
HG3
|
A:LYS58
|
4.8
|
12.0
|
0.5
|
|
H20
|
A:RG6203
|
4.8
|
12.1
|
0.5
|
|
HB1
|
A:ALA36
|
4.8
|
11.0
|
1.0
|
|
HB2
|
A:ALA36
|
4.9
|
10.7
|
1.0
|
|
N
|
A:LYS58
|
4.9
|
11.8
|
0.5
|
|
H20
|
A:RG6203
|
4.9
|
19.7
|
0.5
|
|
N
|
A:LYS58
|
4.9
|
12.0
|
0.5
|
|
CB
|
A:ALA36
|
4.9
|
11.5
|
1.0
|
|
CG
|
A:LYS58
|
5.0
|
11.9
|
0.5
|
|
OG
|
A:SER53
|
5.0
|
20.1
|
1.0
|
|
HB2
|
A:ALA33
|
5.0
|
9.9
|
1.0
|
|
CB
|
A:ALA33
|
5.0
|
10.2
|
1.0
|
|
Fluorine binding site 5 out
of 12 in 7fxg
Go back to
Fluorine Binding Sites List in 7fxg
Fluorine binding site 5 out
of 12 in the Crystal Structure of Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol
 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 Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F203
b:15.2
occ:0.50
|
F5
|
A:RG6203
|
0.0
|
15.2
|
0.5
|
|
F5
|
A:RG6203
|
1.0
|
16.3
|
0.5
|
|
C1
|
A:RG6203
|
1.3
|
16.3
|
0.5
|
|
C1
|
A:RG6203
|
1.4
|
20.4
|
0.5
|
|
F3
|
A:RG6203
|
1.6
|
27.0
|
0.5
|
|
F4
|
A:RG6203
|
2.1
|
17.7
|
0.5
|
|
F3
|
A:RG6203
|
2.1
|
15.3
|
0.5
|
|
F4
|
A:RG6203
|
2.3
|
29.4
|
0.5
|
|
S2
|
A:RG6203
|
2.6
|
14.5
|
0.5
|
|
HG3
|
A:PRO38
|
2.6
|
15.5
|
1.0
|
|
S2
|
A:RG6203
|
2.6
|
18.2
|
0.5
|
|
O
|
A:HOH344
|
2.8
|
10.0
|
0.5
|
|
C6
|
A:RG6203
|
2.9
|
12.6
|
0.5
|
|
H20
|
A:RG6203
|
3.0
|
12.1
|
0.5
|
|
OG
|
A:SER53
|
3.1
|
20.1
|
1.0
|
|
C6
|
A:RG6203
|
3.2
|
16.7
|
0.5
|
|
O10
|
A:RG6203
|
3.2
|
10.9
|
0.5
|
|
HB3
|
A:PRO38
|
3.2
|
12.1
|
1.0
|
|
H20
|
A:RG6203
|
3.2
|
19.7
|
0.5
|
|
C7
|
A:RG6203
|
3.2
|
11.0
|
0.5
|
|
HG
|
A:SER53
|
3.4
|
17.7
|
1.0
|
|
CG
|
A:PRO38
|
3.5
|
16.9
|
1.0
|
|
O
|
A:HOH391
|
3.5
|
20.8
|
1.0
|
|
C7
|
A:RG6203
|
3.7
|
19.0
|
0.5
|
|
O10
|
A:RG6203
|
3.7
|
23.1
|
0.5
|
|
CB
|
A:PRO38
|
3.8
|
12.0
|
1.0
|
|
HG
|
A:SER55
|
3.8
|
11.8
|
1.0
|
|
HG2
|
A:PRO38
|
3.8
|
15.6
|
1.0
|
|
O
|
A:HOH444
|
3.8
|
23.9
|
1.0
|
|
C8
|
A:RG6203
|
3.9
|
14.4
|
0.5
|
|
C8
|
A:RG6203
|
4.0
|
16.8
|
0.5
|
|
HB2
|
A:PRO38
|
4.1
|
12.9
|
1.0
|
|
H19
|
A:RG6203
|
4.2
|
15.8
|
0.5
|
|
HH21
|
A:ARG126
|
4.2
|
13.1
|
1.0
|
|
H19
|
A:RG6203
|
4.2
|
14.1
|
0.5
|
|
HB3
|
A:SER55
|
4.3
|
11.2
|
1.0
|
|
CB
|
A:SER53
|
4.3
|
17.2
|
1.0
|
|
C9
|
A:RG6203
|
4.4
|
13.5
|
0.5
|
|
HB3
|
A:SER53
|
4.4
|
15.9
|
1.0
|
|
OG
|
A:SER55
|
4.4
|
11.8
|
1.0
|
|
HD2
|
A:PHE57
|
4.4
|
16.4
|
1.0
|
|
HD3
|
A:PRO38
|
4.4
|
11.1
|
1.0
|
|
O
|
A:HOH462
|
4.5
|
30.2
|
1.0
|
|
CD
|
A:PRO38
|
4.6
|
11.9
|
1.0
|
|
O
|
A:HOH398
|
4.6
|
26.6
|
1.0
|
|
HB2
|
A:ALA75
|
4.7
|
12.8
|
1.0
|
|
HB3
|
A:ALA36
|
4.7
|
10.9
|
1.0
|
|
HB2
|
A:SER53
|
4.7
|
16.7
|
1.0
|
|
HH22
|
A:ARG126
|
4.7
|
12.6
|
1.0
|
|
NH2
|
A:ARG126
|
4.8
|
12.6
|
1.0
|
|
HB1
|
A:ALA36
|
4.8
|
11.0
|
1.0
|
|
C9
|
A:RG6203
|
4.8
|
17.0
|
0.5
|
|
C11
|
A:RG6203
|
4.9
|
12.7
|
0.5
|
|
CB
|
A:SER55
|
4.9
|
11.7
|
1.0
|
|
HB1
|
A:ALA75
|
5.0
|
12.2
|
1.0
|
|
O
|
A:LYS58
|
5.0
|
27.8
|
0.5
|
|
Fluorine binding site 6 out
of 12 in 7fxg
Go back to
Fluorine Binding Sites List in 7fxg
Fluorine binding site 6 out
of 12 in the Crystal Structure of Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol
 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 Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F203
b:16.3
occ:0.50
|
F5
|
A:RG6203
|
0.0
|
16.3
|
0.5
|
|
F5
|
A:RG6203
|
1.0
|
15.2
|
0.5
|
|
C1
|
A:RG6203
|
1.3
|
20.4
|
0.5
|
|
C1
|
A:RG6203
|
1.5
|
16.3
|
0.5
|
|
F4
|
A:RG6203
|
1.9
|
17.7
|
0.5
|
|
C6
|
A:RG6203
|
2.0
|
12.6
|
0.5
|
|
S2
|
A:RG6203
|
2.2
|
14.5
|
0.5
|
|
S2
|
A:RG6203
|
2.2
|
18.2
|
0.5
|
|
F4
|
A:RG6203
|
2.2
|
29.4
|
0.5
|
|
C6
|
A:RG6203
|
2.2
|
16.7
|
0.5
|
|
F3
|
A:RG6203
|
2.3
|
27.0
|
0.5
|
|
C7
|
A:RG6203
|
2.4
|
11.0
|
0.5
|
|
H20
|
A:RG6203
|
2.6
|
12.1
|
0.5
|
|
F3
|
A:RG6203
|
2.7
|
15.3
|
0.5
|
|
O10
|
A:RG6203
|
2.7
|
10.9
|
0.5
|
|
H20
|
A:RG6203
|
2.8
|
19.7
|
0.5
|
|
C7
|
A:RG6203
|
2.8
|
19.0
|
0.5
|
|
C8
|
A:RG6203
|
3.0
|
14.4
|
0.5
|
|
C8
|
A:RG6203
|
3.0
|
16.8
|
0.5
|
|
O10
|
A:RG6203
|
3.1
|
23.1
|
0.5
|
|
HG3
|
A:PRO38
|
3.3
|
15.5
|
1.0
|
|
H19
|
A:RG6203
|
3.3
|
15.8
|
0.5
|
|
H19
|
A:RG6203
|
3.4
|
14.1
|
0.5
|
|
C9
|
A:RG6203
|
3.4
|
13.5
|
0.5
|
|
O
|
A:HOH444
|
3.4
|
23.9
|
1.0
|
|
O
|
A:HOH391
|
3.6
|
20.8
|
1.0
|
|
O
|
A:HOH344
|
3.7
|
10.0
|
0.5
|
|
OG
|
A:SER53
|
3.8
|
20.1
|
1.0
|
|
C11
|
A:RG6203
|
3.8
|
12.7
|
0.5
|
|
C9
|
A:RG6203
|
3.9
|
17.0
|
0.5
|
|
C11
|
A:RG6203
|
4.0
|
13.9
|
0.5
|
|
HH21
|
A:ARG126
|
4.0
|
13.1
|
1.0
|
|
HG
|
A:SER53
|
4.0
|
17.7
|
1.0
|
|
C12
|
A:RG6203
|
4.0
|
14.5
|
0.5
|
|
CG
|
A:PRO38
|
4.1
|
16.9
|
1.0
|
|
O
|
A:HOH462
|
4.1
|
30.2
|
1.0
|
|
HB3
|
A:PRO38
|
4.2
|
12.1
|
1.0
|
|
HB2
|
A:ALA75
|
4.2
|
12.8
|
1.0
|
|
HG2
|
A:PRO38
|
4.3
|
15.6
|
1.0
|
|
C12
|
A:RG6203
|
4.4
|
13.6
|
0.5
|
|
HB3
|
A:ALA75
|
4.4
|
12.7
|
1.0
|
|
HD2
|
A:PHE57
|
4.5
|
16.4
|
1.0
|
|
NH2
|
A:ARG126
|
4.5
|
12.6
|
1.0
|
|
HH22
|
A:ARG126
|
4.6
|
12.6
|
1.0
|
|
CB
|
A:PRO38
|
4.6
|
12.0
|
1.0
|
|
HB1
|
A:ALA75
|
4.6
|
12.2
|
1.0
|
|
HG
|
A:SER55
|
4.6
|
11.8
|
1.0
|
|
CB
|
A:ALA75
|
4.6
|
12.7
|
1.0
|
|
CL13
|
A:RG6203
|
4.7
|
22.0
|
0.5
|
|
HB3
|
A:SER53
|
4.8
|
15.9
|
1.0
|
|
CB
|
A:SER53
|
4.8
|
17.2
|
1.0
|
|
HB2
|
A:PRO38
|
4.9
|
12.9
|
1.0
|
|
HZ
|
A:PHE16
|
4.9
|
12.6
|
1.0
|
|
H21
|
A:RG6203
|
4.9
|
13.7
|
0.5
|
|
O
|
A:HOH398
|
5.0
|
26.6
|
1.0
|
|
Fluorine binding site 7 out
of 12 in 7fxg
Go back to
Fluorine Binding Sites List in 7fxg
Fluorine binding site 7 out
of 12 in the Crystal Structure of Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol
 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 Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F203
b:10.7
occ:0.50
|
F16
|
A:RG6203
|
0.0
|
10.7
|
0.5
|
|
F16
|
A:RG6203
|
0.4
|
17.8
|
0.5
|
|
C15
|
A:RG6203
|
1.3
|
9.5
|
0.5
|
|
C15
|
A:RG6203
|
1.4
|
13.7
|
0.5
|
|
F17
|
A:RG6203
|
1.9
|
17.6
|
0.5
|
|
F18
|
A:RG6203
|
2.2
|
12.6
|
0.5
|
|
F17
|
A:RG6203
|
2.2
|
13.4
|
0.5
|
|
F18
|
A:RG6203
|
2.2
|
21.1
|
0.5
|
|
S14
|
A:RG6203
|
2.6
|
11.2
|
0.5
|
|
S14
|
A:RG6203
|
2.6
|
14.7
|
0.5
|
|
HH21
|
A:ARG78
|
2.7
|
9.5
|
1.0
|
|
HG21
|
A:VAL25
|
2.8
|
9.6
|
1.0
|
|
OD1
|
A:ASP76
|
3.1
|
10.3
|
1.0
|
|
CG
|
A:ASP76
|
3.2
|
10.1
|
1.0
|
|
NH2
|
A:ARG78
|
3.3
|
9.9
|
1.0
|
|
HB3
|
A:ASP76
|
3.4
|
11.1
|
1.0
|
|
HG2
|
A:MET20
|
3.4
|
9.9
|
1.0
|
|
OD2
|
A:ASP76
|
3.4
|
11.1
|
1.0
|
|
CG2
|
A:VAL25
|
3.5
|
9.8
|
1.0
|
|
HG11
|
A:VAL23
|
3.5
|
12.2
|
1.0
|
|
HG22
|
A:VAL25
|
3.5
|
9.7
|
1.0
|
|
HG23
|
A:VAL25
|
3.5
|
9.6
|
1.0
|
|
HH22
|
A:ARG78
|
3.6
|
9.7
|
1.0
|
|
HE
|
A:ARG78
|
3.7
|
9.8
|
1.0
|
|
CB
|
A:ASP76
|
3.8
|
11.4
|
1.0
|
|
C11
|
A:RG6203
|
3.9
|
13.9
|
0.5
|
|
C11
|
A:RG6203
|
4.0
|
12.7
|
0.5
|
|
HE2
|
A:TYR19
|
4.0
|
9.1
|
1.0
|
|
HG12
|
A:VAL23
|
4.1
|
12.1
|
1.0
|
|
CG1
|
A:VAL23
|
4.2
|
12.3
|
1.0
|
|
HG21
|
A:VAL23
|
4.2
|
10.9
|
1.0
|
|
CZ
|
A:ARG78
|
4.3
|
9.8
|
1.0
|
|
HB2
|
A:ASP76
|
4.3
|
11.8
|
1.0
|
|
CG
|
A:MET20
|
4.3
|
9.0
|
1.0
|
|
H
|
A:ASP76
|
4.3
|
10.7
|
1.0
|
|
HA
|
A:MET20
|
4.3
|
8.3
|
1.0
|
|
HB
|
A:VAL23
|
4.4
|
11.4
|
1.0
|
|
H21
|
A:RG6203
|
4.4
|
14.0
|
0.5
|
|
NE
|
A:ARG78
|
4.4
|
10.1
|
1.0
|
|
O
|
A:HOH347
|
4.5
|
10.3
|
1.0
|
|
H19
|
A:RG6203
|
4.5
|
15.8
|
0.5
|
|
C12
|
A:RG6203
|
4.5
|
13.6
|
0.5
|
|
H19
|
A:RG6203
|
4.5
|
14.1
|
0.5
|
|
HG11
|
A:VAL25
|
4.6
|
9.5
|
1.0
|
|
C8
|
A:RG6203
|
4.6
|
16.8
|
0.5
|
|
H21
|
A:RG6203
|
4.7
|
13.7
|
0.5
|
|
C8
|
A:RG6203
|
4.7
|
14.4
|
0.5
|
|
C12
|
A:RG6203
|
4.7
|
14.5
|
0.5
|
|
CB
|
A:VAL23
|
4.8
|
11.5
|
1.0
|
|
HG1
|
A:THR74
|
4.8
|
10.2
|
1.0
|
|
CE2
|
A:TYR19
|
4.8
|
9.1
|
1.0
|
|
HZ
|
A:PHE16
|
4.8
|
12.6
|
1.0
|
|
SD
|
A:MET20
|
4.8
|
9.8
|
1.0
|
|
HB3
|
A:MET20
|
4.9
|
8.5
|
1.0
|
|
HG3
|
A:MET20
|
4.9
|
8.9
|
1.0
|
|
CB
|
A:VAL25
|
4.9
|
8.9
|
1.0
|
|
CG2
|
A:VAL23
|
5.0
|
11.3
|
1.0
|
|
N
|
A:ASP76
|
5.0
|
11.2
|
1.0
|
|
HG13
|
A:VAL23
|
5.0
|
12.6
|
1.0
|
|
Fluorine binding site 8 out
of 12 in 7fxg
Go back to
Fluorine Binding Sites List in 7fxg
Fluorine binding site 8 out
of 12 in the Crystal Structure of Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol
 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 Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F203
b:17.8
occ:0.50
|
F16
|
A:RG6203
|
0.0
|
17.8
|
0.5
|
|
F16
|
A:RG6203
|
0.4
|
10.7
|
0.5
|
|
C15
|
A:RG6203
|
1.3
|
13.7
|
0.5
|
|
C15
|
A:RG6203
|
1.4
|
9.5
|
0.5
|
|
F18
|
A:RG6203
|
2.0
|
12.6
|
0.5
|
|
F18
|
A:RG6203
|
2.0
|
21.1
|
0.5
|
|
F17
|
A:RG6203
|
2.1
|
17.6
|
0.5
|
|
F17
|
A:RG6203
|
2.4
|
13.4
|
0.5
|
|
S14
|
A:RG6203
|
2.5
|
11.2
|
0.5
|
|
S14
|
A:RG6203
|
2.5
|
14.7
|
0.5
|
|
HG21
|
A:VAL25
|
2.7
|
9.6
|
1.0
|
|
HH21
|
A:ARG78
|
2.8
|
9.5
|
1.0
|
|
OD1
|
A:ASP76
|
2.8
|
10.3
|
1.0
|
|
CG
|
A:ASP76
|
2.9
|
10.1
|
1.0
|
|
HB3
|
A:ASP76
|
2.9
|
11.1
|
1.0
|
|
OD2
|
A:ASP76
|
3.3
|
11.1
|
1.0
|
|
CG2
|
A:VAL25
|
3.4
|
9.8
|
1.0
|
|
HG22
|
A:VAL25
|
3.4
|
9.7
|
1.0
|
|
CB
|
A:ASP76
|
3.4
|
11.4
|
1.0
|
|
HG2
|
A:MET20
|
3.5
|
9.9
|
1.0
|
|
NH2
|
A:ARG78
|
3.5
|
9.9
|
1.0
|
|
HG23
|
A:VAL25
|
3.6
|
9.6
|
1.0
|
|
HE
|
A:ARG78
|
3.8
|
9.8
|
1.0
|
|
HG11
|
A:VAL23
|
3.8
|
12.2
|
1.0
|
|
HH22
|
A:ARG78
|
3.8
|
9.7
|
1.0
|
|
C11
|
A:RG6203
|
3.8
|
13.9
|
0.5
|
|
C11
|
A:RG6203
|
3.9
|
12.7
|
0.5
|
|
HB2
|
A:ASP76
|
3.9
|
11.8
|
1.0
|
|
H
|
A:ASP76
|
4.0
|
10.7
|
1.0
|
|
HG12
|
A:VAL23
|
4.3
|
12.1
|
1.0
|
|
H19
|
A:RG6203
|
4.3
|
15.8
|
0.5
|
|
H19
|
A:RG6203
|
4.3
|
14.1
|
0.5
|
|
HG11
|
A:VAL25
|
4.3
|
9.5
|
1.0
|
|
CG
|
A:MET20
|
4.4
|
9.0
|
1.0
|
|
CZ
|
A:ARG78
|
4.4
|
9.8
|
1.0
|
|
HE2
|
A:TYR19
|
4.4
|
9.1
|
1.0
|
|
CG1
|
A:VAL23
|
4.5
|
12.3
|
1.0
|
|
C8
|
A:RG6203
|
4.5
|
16.8
|
0.5
|
|
NE
|
A:ARG78
|
4.5
|
10.1
|
1.0
|
|
C8
|
A:RG6203
|
4.6
|
14.4
|
0.5
|
|
H21
|
A:RG6203
|
4.6
|
14.0
|
0.5
|
|
HA
|
A:MET20
|
4.6
|
8.3
|
1.0
|
|
N
|
A:ASP76
|
4.6
|
11.2
|
1.0
|
|
HG1
|
A:THR74
|
4.6
|
10.2
|
1.0
|
|
C12
|
A:RG6203
|
4.6
|
13.6
|
0.5
|
|
HG21
|
A:VAL23
|
4.6
|
10.9
|
1.0
|
|
HB
|
A:VAL23
|
4.7
|
11.4
|
1.0
|
|
CA
|
A:ASP76
|
4.7
|
12.2
|
1.0
|
|
SD
|
A:MET20
|
4.8
|
9.8
|
1.0
|
|
CB
|
A:VAL25
|
4.8
|
8.9
|
1.0
|
|
H21
|
A:RG6203
|
4.8
|
13.7
|
0.5
|
|
O
|
A:HOH347
|
4.8
|
10.3
|
1.0
|
|
C12
|
A:RG6203
|
4.8
|
14.5
|
0.5
|
|
HZ
|
A:PHE16
|
4.9
|
12.6
|
1.0
|
|
HB3
|
A:MET20
|
4.9
|
8.5
|
1.0
|
|
CG1
|
A:VAL25
|
4.9
|
10.1
|
1.0
|
|
HB
|
A:THR74
|
4.9
|
9.9
|
1.0
|
|
HB3
|
A:ALA75
|
5.0
|
12.7
|
1.0
|
|
HG3
|
A:MET20
|
5.0
|
8.9
|
1.0
|
|
Fluorine binding site 9 out
of 12 in 7fxg
Go back to
Fluorine Binding Sites List in 7fxg
Fluorine binding site 9 out
of 12 in the Crystal Structure of Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol
 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 Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F203
b:13.4
occ:0.50
|
F17
|
A:RG6203
|
0.0
|
13.4
|
0.5
|
|
F17
|
A:RG6203
|
0.3
|
17.6
|
0.5
|
|
C15
|
A:RG6203
|
1.3
|
9.5
|
0.5
|
|
C15
|
A:RG6203
|
1.6
|
13.7
|
0.5
|
|
F18
|
A:RG6203
|
2.0
|
12.6
|
0.5
|
|
F16
|
A:RG6203
|
2.2
|
10.7
|
0.5
|
|
F18
|
A:RG6203
|
2.3
|
21.1
|
0.5
|
|
F16
|
A:RG6203
|
2.4
|
17.8
|
0.5
|
|
HE2
|
A:TYR19
|
2.6
|
9.1
|
1.0
|
|
S14
|
A:RG6203
|
2.7
|
11.2
|
0.5
|
|
S14
|
A:RG6203
|
2.8
|
14.7
|
0.5
|
|
HG2
|
A:MET20
|
2.9
|
9.9
|
1.0
|
|
HZ
|
A:PHE16
|
2.9
|
12.6
|
1.0
|
|
C11
|
A:RG6203
|
2.9
|
13.9
|
0.5
|
|
C11
|
A:RG6203
|
3.1
|
12.7
|
0.5
|
|
C12
|
A:RG6203
|
3.1
|
13.6
|
0.5
|
|
H21
|
A:RG6203
|
3.2
|
14.0
|
0.5
|
|
HE1
|
A:PHE16
|
3.3
|
12.1
|
1.0
|
|
CZ
|
A:PHE16
|
3.4
|
13.0
|
1.0
|
|
C12
|
A:RG6203
|
3.5
|
14.5
|
0.5
|
|
CE2
|
A:TYR19
|
3.5
|
9.1
|
1.0
|
|
H21
|
A:RG6203
|
3.5
|
13.7
|
0.5
|
|
HD2
|
A:TYR19
|
3.6
|
8.3
|
1.0
|
|
CE1
|
A:PHE16
|
3.6
|
12.4
|
1.0
|
|
C8
|
A:RG6203
|
3.7
|
16.8
|
0.5
|
|
CG
|
A:MET20
|
3.7
|
9.0
|
1.0
|
|
C8
|
A:RG6203
|
3.8
|
14.4
|
0.5
|
|
HG3
|
A:MET20
|
3.8
|
8.9
|
1.0
|
|
CD2
|
A:TYR19
|
3.9
|
8.7
|
1.0
|
|
H19
|
A:RG6203
|
4.0
|
14.1
|
0.5
|
|
H19
|
A:RG6203
|
4.0
|
15.8
|
0.5
|
|
C9
|
A:RG6203
|
4.1
|
17.0
|
0.5
|
|
HH21
|
A:ARG78
|
4.2
|
9.5
|
1.0
|
|
HG21
|
A:VAL25
|
4.2
|
9.6
|
1.0
|
|
O
|
A:HOH347
|
4.3
|
10.3
|
1.0
|
|
HA
|
A:MET20
|
4.3
|
8.3
|
1.0
|
|
HG21
|
A:VAL23
|
4.3
|
10.9
|
1.0
|
|
SD
|
A:MET20
|
4.4
|
9.8
|
1.0
|
|
HH22
|
A:ARG78
|
4.4
|
9.7
|
1.0
|
|
C9
|
A:RG6203
|
4.4
|
13.5
|
0.5
|
|
CE2
|
A:PHE16
|
4.5
|
13.0
|
1.0
|
|
C6
|
A:RG6203
|
4.5
|
16.7
|
0.5
|
|
NH2
|
A:ARG78
|
4.6
|
9.9
|
1.0
|
|
CZ
|
A:TYR19
|
4.6
|
7.9
|
1.0
|
|
C7
|
A:RG6203
|
4.7
|
19.0
|
0.5
|
|
C6
|
A:RG6203
|
4.7
|
12.6
|
0.5
|
|
HG11
|
A:VAL23
|
4.7
|
12.2
|
1.0
|
|
HE2
|
A:PHE16
|
4.8
|
11.8
|
1.0
|
|
CD1
|
A:PHE16
|
4.8
|
10.6
|
1.0
|
|
OH
|
A:TYR19
|
4.8
|
9.2
|
1.0
|
|
CB
|
A:MET20
|
4.9
|
8.5
|
1.0
|
|
HG23
|
A:VAL25
|
4.9
|
9.6
|
1.0
|
|
OD1
|
A:ASP76
|
4.9
|
10.3
|
1.0
|
|
CG2
|
A:VAL25
|
5.0
|
9.8
|
1.0
|
|
Fluorine binding site 10 out
of 12 in 7fxg
Go back to
Fluorine Binding Sites List in 7fxg
Fluorine binding site 10 out
of 12 in the Crystal Structure of Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol
 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 Human FABP4 in Complex with 2-Chloro-4,6- Bis(Trifluoromethylsulfanyl)Phenol within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F203
b:17.6
occ:0.50
|
F17
|
A:RG6203
|
0.0
|
17.6
|
0.5
|
|
F17
|
A:RG6203
|
0.3
|
13.4
|
0.5
|
|
C15
|
A:RG6203
|
1.0
|
9.5
|
0.5
|
|
C15
|
A:RG6203
|
1.3
|
13.7
|
0.5
|
|
F18
|
A:RG6203
|
1.8
|
12.6
|
0.5
|
|
F16
|
A:RG6203
|
1.9
|
10.7
|
0.5
|
|
F18
|
A:RG6203
|
2.1
|
21.1
|
0.5
|
|
F16
|
A:RG6203
|
2.1
|
17.8
|
0.5
|
|
S14
|
A:RG6203
|
2.4
|
11.2
|
0.5
|
|
S14
|
A:RG6203
|
2.6
|
14.7
|
0.5
|
|
C11
|
A:RG6203
|
2.8
|
13.9
|
0.5
|
|
HG2
|
A:MET20
|
2.9
|
9.9
|
1.0
|
|
HE2
|
A:TYR19
|
2.9
|
9.1
|
1.0
|
|
C11
|
A:RG6203
|
3.0
|
12.7
|
0.5
|
|
HZ
|
A:PHE16
|
3.0
|
12.6
|
1.0
|
|
C12
|
A:RG6203
|
3.2
|
13.6
|
0.5
|
|
H21
|
A:RG6203
|
3.2
|
14.0
|
0.5
|
|
C12
|
A:RG6203
|
3.5
|
14.5
|
0.5
|
|
H21
|
A:RG6203
|
3.5
|
13.7
|
0.5
|
|
C8
|
A:RG6203
|
3.6
|
16.8
|
0.5
|
|
CZ
|
A:PHE16
|
3.6
|
13.0
|
1.0
|
|
HE1
|
A:PHE16
|
3.6
|
12.1
|
1.0
|
|
C8
|
A:RG6203
|
3.6
|
14.4
|
0.5
|
|
CE2
|
A:TYR19
|
3.7
|
9.1
|
1.0
|
|
CG
|
A:MET20
|
3.7
|
9.0
|
1.0
|
|
H19
|
A:RG6203
|
3.8
|
14.1
|
0.5
|
|
HD2
|
A:TYR19
|
3.8
|
8.3
|
1.0
|
|
H19
|
A:RG6203
|
3.8
|
15.8
|
0.5
|
|
CE1
|
A:PHE16
|
3.9
|
12.4
|
1.0
|
|
HG3
|
A:MET20
|
3.9
|
8.9
|
1.0
|
|
HH21
|
A:ARG78
|
4.0
|
9.5
|
1.0
|
|
HG21
|
A:VAL25
|
4.1
|
9.6
|
1.0
|
|
C9
|
A:RG6203
|
4.2
|
17.0
|
0.5
|
|
CD2
|
A:TYR19
|
4.2
|
8.7
|
1.0
|
|
SD
|
A:MET20
|
4.3
|
9.8
|
1.0
|
|
O
|
A:HOH347
|
4.3
|
10.3
|
1.0
|
|
HH22
|
A:ARG78
|
4.3
|
9.7
|
1.0
|
|
HA
|
A:MET20
|
4.4
|
8.3
|
1.0
|
|
HG21
|
A:VAL23
|
4.4
|
10.9
|
1.0
|
|
C6
|
A:RG6203
|
4.5
|
16.7
|
0.5
|
|
NH2
|
A:ARG78
|
4.5
|
9.9
|
1.0
|
|
C9
|
A:RG6203
|
4.5
|
13.5
|
0.5
|
|
CE2
|
A:PHE16
|
4.6
|
13.0
|
1.0
|
|
OD1
|
A:ASP76
|
4.7
|
10.3
|
1.0
|
|
C6
|
A:RG6203
|
4.7
|
12.6
|
0.5
|
|
HG11
|
A:VAL23
|
4.7
|
12.2
|
1.0
|
|
C7
|
A:RG6203
|
4.7
|
19.0
|
0.5
|
|
HB3
|
A:ASP76
|
4.8
|
11.1
|
1.0
|
|
HG23
|
A:VAL25
|
4.8
|
9.6
|
1.0
|
|
HE2
|
A:PHE16
|
4.8
|
11.8
|
1.0
|
|
CZ
|
A:TYR19
|
4.8
|
7.9
|
1.0
|
|
CG2
|
A:VAL25
|
4.8
|
9.8
|
1.0
|
|
CB
|
A:MET20
|
4.9
|
8.5
|
1.0
|
|
CG
|
A:ASP76
|
5.0
|
10.1
|
1.0
|
|
Reference:
U.Obst,
C.Magnone,
B.Kuhn,
M.G.Rudolph.
Crystal Structure of A Human FABP4 Complex To Be Published.
Page generated: Fri Aug 2 07:16:54 2024
|
