Chlorine in PDB 7fw0: Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid
Protein crystallography data
The structure of Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid, PDB code: 7fw0
was solved by
A.Ehler,
J.Benz,
U.Obst,
H.Richter,
M.G.Rudolph,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
43.70 /
1.12
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
32.445,
53.8,
74.905,
90,
90,
90
|
|
R / Rfree (%)
|
14.7 /
17.4
|
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid
(pdb code 7fw0). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the
Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid, PDB code: 7fw0:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 12 in 7fw0
Go back to
Chlorine Binding Sites List in 7fw0
Chlorine binding site 1 out
of 12 in the Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:25.9
occ:0.50
|
CL7
|
A:K0U201
|
0.0
|
25.9
|
0.5
|
|
C1
|
A:K0U201
|
1.7
|
19.5
|
0.5
|
|
O
|
A:HOH319
|
2.1
|
21.6
|
0.5
|
|
C6
|
A:K0U201
|
2.7
|
15.5
|
0.5
|
|
C2
|
A:K0U201
|
2.8
|
17.7
|
0.5
|
|
O
|
A:LYS58
|
3.0
|
16.9
|
1.0
|
|
OG
|
A:SER53
|
3.2
|
27.5
|
1.0
|
|
O
|
A:HOH399
|
3.2
|
29.9
|
0.5
|
|
CL8
|
A:K0U201
|
3.4
|
25.1
|
0.5
|
|
CB
|
A:SER53
|
3.7
|
19.4
|
1.0
|
|
C
|
A:LYS58
|
3.8
|
17.0
|
1.0
|
|
OG
|
A:SER55
|
4.0
|
18.4
|
1.0
|
|
C4
|
A:K0U201
|
4.0
|
17.0
|
0.5
|
|
OG1
|
A:THR60
|
4.1
|
27.5
|
1.0
|
|
O
|
A:SER53
|
4.1
|
21.7
|
1.0
|
|
C5
|
A:K0U201
|
4.1
|
17.2
|
0.5
|
|
CB
|
A:LYS58
|
4.1
|
20.7
|
1.0
|
|
CG2
|
A:THR60
|
4.1
|
30.4
|
1.0
|
|
C
|
A:SER53
|
4.3
|
19.4
|
1.0
|
|
CB
|
A:ALA75
|
4.4
|
26.9
|
1.0
|
|
CA
|
A:LYS58
|
4.4
|
17.2
|
1.0
|
|
N
|
A:THR60
|
4.5
|
18.8
|
1.0
|
|
C3
|
A:K0U201
|
4.5
|
14.7
|
0.5
|
|
N
|
A:ASN59
|
4.6
|
16.2
|
1.0
|
|
CB
|
A:THR60
|
4.6
|
23.8
|
1.0
|
|
N
|
A:LYS58
|
4.6
|
17.7
|
1.0
|
|
CA
|
A:ASN59
|
4.6
|
16.8
|
1.0
|
|
CA
|
A:SER53
|
4.7
|
18.5
|
1.0
|
|
CB
|
A:SER55
|
4.7
|
17.6
|
1.0
|
|
C
|
A:ASN59
|
4.8
|
19.0
|
1.0
|
|
CL8
|
A:K0U204
|
4.8
|
26.2
|
0.5
|
|
N
|
A:GLU54
|
4.9
|
16.7
|
1.0
|
|
N
|
A:SER55
|
4.9
|
16.0
|
1.0
|
|
CG
|
A:LYS58
|
4.9
|
30.9
|
1.0
|
|
CD2
|
A:PHE57
|
5.0
|
23.5
|
1.0
|
|
Chlorine binding site 2 out
of 12 in 7fw0
Go back to
Chlorine Binding Sites List in 7fw0
Chlorine binding site 2 out
of 12 in the Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:25.1
occ:0.50
|
CL8
|
A:K0U201
|
0.0
|
25.1
|
0.5
|
|
C2
|
A:K0U201
|
1.7
|
17.7
|
0.5
|
|
C5
|
A:K0U201
|
2.7
|
17.2
|
0.5
|
|
C1
|
A:K0U201
|
2.8
|
19.5
|
0.5
|
|
OG1
|
A:THR60
|
2.9
|
27.5
|
1.0
|
|
CB
|
A:SER53
|
3.3
|
19.4
|
1.0
|
|
CL7
|
A:K0U201
|
3.4
|
25.9
|
0.5
|
|
OG
|
A:SER53
|
3.5
|
27.5
|
1.0
|
|
O
|
A:HOH301
|
3.6
|
20.5
|
0.5
|
|
O17
|
A:K0U203
|
3.7
|
26.1
|
0.2
|
|
O16
|
A:K0U203
|
3.9
|
29.0
|
0.2
|
|
C3
|
A:K0U201
|
4.0
|
14.7
|
0.5
|
|
C6
|
A:K0U201
|
4.0
|
15.5
|
0.5
|
|
O
|
A:HOH378
|
4.0
|
27.2
|
1.0
|
|
C12
|
A:K0U203
|
4.1
|
28.8
|
0.2
|
|
CB
|
A:THR60
|
4.1
|
23.8
|
1.0
|
|
O
|
A:HOH394
|
4.1
|
34.9
|
1.0
|
|
C14
|
A:K0U203
|
4.1
|
29.6
|
0.2
|
|
CG2
|
A:THR60
|
4.2
|
30.4
|
1.0
|
|
C15
|
A:K0U203
|
4.2
|
33.8
|
0.2
|
|
O16
|
A:K0U203
|
4.2
|
25.9
|
0.2
|
|
C12
|
A:K0U203
|
4.3
|
16.9
|
0.2
|
|
CB
|
A:ALA75
|
4.4
|
26.9
|
1.0
|
|
C11
|
A:K0U203
|
4.5
|
16.6
|
0.2
|
|
C4
|
A:K0U201
|
4.5
|
17.0
|
0.5
|
|
C15
|
A:K0U203
|
4.5
|
20.3
|
0.2
|
|
O
|
A:HOH379
|
4.6
|
25.0
|
1.0
|
|
C13
|
A:K0U203
|
4.6
|
30.0
|
0.2
|
|
O
|
A:HOH426
|
4.6
|
32.8
|
0.5
|
|
CA
|
A:SER53
|
4.7
|
18.5
|
1.0
|
|
O17
|
A:K0U201
|
4.8
|
19.4
|
0.5
|
|
O
|
A:HOH319
|
4.9
|
21.6
|
0.5
|
|
C11
|
A:K0U203
|
4.9
|
29.1
|
0.2
|
|
Chlorine binding site 3 out
of 12 in 7fw0
Go back to
Chlorine Binding Sites List in 7fw0
Chlorine binding site 3 out
of 12 in the Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:17.0
occ:0.50
|
CL10
|
A:K0U201
|
0.0
|
17.0
|
0.5
|
|
C4
|
A:K0U201
|
1.7
|
17.0
|
0.5
|
|
CL8
|
A:K0U204
|
2.6
|
26.2
|
0.5
|
|
C6
|
A:K0U201
|
2.7
|
15.5
|
0.5
|
|
C3
|
A:K0U201
|
2.7
|
14.7
|
0.5
|
|
O
|
A:HOH399
|
2.8
|
29.9
|
0.5
|
|
S9
|
A:K0U201
|
3.1
|
14.0
|
0.5
|
|
O
|
A:ALA33
|
3.5
|
14.6
|
1.0
|
|
O
|
A:HOH352
|
3.7
|
17.0
|
1.0
|
|
C2
|
A:K0U204
|
3.7
|
24.2
|
0.5
|
|
NH2
|
A:ARG126
|
3.8
|
18.2
|
1.0
|
|
CL8
|
A:K0U203
|
3.9
|
16.3
|
0.2
|
|
CL8
|
A:K0U203
|
3.9
|
18.6
|
0.2
|
|
C1
|
A:K0U201
|
4.0
|
19.5
|
0.5
|
|
C5
|
A:K0U201
|
4.0
|
17.2
|
0.5
|
|
CB
|
A:ALA36
|
4.0
|
16.9
|
1.0
|
|
C5
|
A:K0U204
|
4.2
|
19.6
|
0.5
|
|
CB
|
A:ALA33
|
4.2
|
16.5
|
1.0
|
|
C
|
A:ALA33
|
4.2
|
13.8
|
1.0
|
|
CE2
|
A:PHE16
|
4.3
|
17.3
|
1.0
|
|
CG
|
A:PRO38
|
4.3
|
22.1
|
1.0
|
|
CA
|
A:ALA33
|
4.4
|
13.9
|
1.0
|
|
C2
|
A:K0U201
|
4.5
|
17.7
|
0.5
|
|
CZ
|
A:PHE16
|
4.6
|
17.6
|
1.0
|
|
CD2
|
A:PHE57
|
4.7
|
23.5
|
1.0
|
|
C1
|
A:K0U204
|
4.7
|
20.8
|
0.5
|
|
CZ
|
A:ARG126
|
4.8
|
16.3
|
1.0
|
|
CD
|
A:PRO38
|
4.8
|
14.6
|
1.0
|
|
C11
|
A:K0U201
|
4.8
|
13.7
|
0.5
|
|
C2
|
A:K0U203
|
4.9
|
14.0
|
0.2
|
|
C2
|
A:K0U203
|
5.0
|
17.1
|
0.2
|
|
Chlorine binding site 4 out
of 12 in 7fw0
Go back to
Chlorine Binding Sites List in 7fw0
Chlorine binding site 4 out
of 12 in the Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl203
b:19.9
occ:0.25
|
CL7
|
A:K0U203
|
0.0
|
19.9
|
0.2
|
|
CL7
|
A:K0U203
|
0.0
|
18.2
|
0.2
|
|
C6
|
A:K0U204
|
1.4
|
18.8
|
0.5
|
|
C1
|
A:K0U204
|
1.6
|
20.8
|
0.5
|
|
C1
|
A:K0U203
|
1.7
|
15.6
|
0.2
|
|
C1
|
A:K0U203
|
1.7
|
18.1
|
0.2
|
|
C4
|
A:K0U204
|
2.3
|
22.9
|
0.5
|
|
CL7
|
A:K0U204
|
2.3
|
24.2
|
0.5
|
|
C2
|
A:K0U204
|
2.6
|
24.2
|
0.5
|
|
C6
|
A:K0U203
|
2.7
|
16.9
|
0.2
|
|
C6
|
A:K0U203
|
2.7
|
18.1
|
0.2
|
|
C2
|
A:K0U203
|
2.7
|
17.1
|
0.2
|
|
C2
|
A:K0U203
|
2.7
|
14.0
|
0.2
|
|
SD
|
A:MET20
|
2.9
|
17.3
|
1.0
|
|
CL8
|
A:K0U203
|
3.1
|
18.6
|
0.2
|
|
CL8
|
A:K0U203
|
3.1
|
16.3
|
0.2
|
|
C3
|
A:K0U204
|
3.1
|
20.9
|
0.5
|
|
C5
|
A:K0U204
|
3.2
|
19.6
|
0.5
|
|
CL10
|
A:K0U204
|
3.4
|
23.2
|
0.5
|
|
CG
|
A:MET20
|
3.4
|
13.9
|
1.0
|
|
CL8
|
A:K0U204
|
3.9
|
26.2
|
0.5
|
|
C4
|
A:K0U203
|
4.0
|
16.5
|
0.2
|
|
C4
|
A:K0U203
|
4.0
|
17.8
|
0.2
|
|
C5
|
A:K0U203
|
4.0
|
15.3
|
0.2
|
|
C5
|
A:K0U203
|
4.0
|
19.4
|
0.2
|
|
CZ
|
A:PHE16
|
4.1
|
17.6
|
1.0
|
|
CG2
|
A:VAL25
|
4.1
|
13.9
|
1.0
|
|
CB
|
A:ALA33
|
4.1
|
16.5
|
1.0
|
|
CB
|
A:ASP76
|
4.2
|
22.6
|
1.0
|
|
CG1
|
A:VAL25
|
4.4
|
13.0
|
1.0
|
|
CG
|
A:ASP76
|
4.5
|
19.7
|
1.0
|
|
CE2
|
A:PHE16
|
4.5
|
17.3
|
1.0
|
|
CB
|
A:MET20
|
4.5
|
12.8
|
1.0
|
|
C3
|
A:K0U203
|
4.5
|
14.5
|
0.2
|
|
C3
|
A:K0U203
|
4.5
|
17.7
|
0.2
|
|
OD1
|
A:ASP76
|
4.6
|
19.6
|
1.0
|
|
S9
|
A:K0U204
|
4.7
|
25.8
|
0.5
|
|
CE
|
A:MET20
|
4.7
|
20.7
|
1.0
|
|
CB
|
A:VAL25
|
4.8
|
12.2
|
1.0
|
|
CE1
|
A:PHE16
|
4.9
|
18.3
|
1.0
|
|
Chlorine binding site 5 out
of 12 in 7fw0
Go back to
Chlorine Binding Sites List in 7fw0
Chlorine binding site 5 out
of 12 in the Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl203
b:18.2
occ:0.25
|
CL7
|
A:K0U203
|
0.0
|
18.2
|
0.2
|
|
CL7
|
A:K0U203
|
0.0
|
19.9
|
0.2
|
|
C6
|
A:K0U204
|
1.4
|
18.8
|
0.5
|
|
C1
|
A:K0U204
|
1.6
|
20.8
|
0.5
|
|
C1
|
A:K0U203
|
1.7
|
15.6
|
0.2
|
|
C1
|
A:K0U203
|
1.7
|
18.1
|
0.2
|
|
C4
|
A:K0U204
|
2.3
|
22.9
|
0.5
|
|
CL7
|
A:K0U204
|
2.3
|
24.2
|
0.5
|
|
C2
|
A:K0U204
|
2.6
|
24.2
|
0.5
|
|
C6
|
A:K0U203
|
2.7
|
16.9
|
0.2
|
|
C6
|
A:K0U203
|
2.7
|
18.1
|
0.2
|
|
C2
|
A:K0U203
|
2.7
|
17.1
|
0.2
|
|
C2
|
A:K0U203
|
2.7
|
14.0
|
0.2
|
|
SD
|
A:MET20
|
2.9
|
17.3
|
1.0
|
|
CL8
|
A:K0U203
|
3.0
|
18.6
|
0.2
|
|
CL8
|
A:K0U203
|
3.0
|
16.3
|
0.2
|
|
C3
|
A:K0U204
|
3.1
|
20.9
|
0.5
|
|
C5
|
A:K0U204
|
3.2
|
19.6
|
0.5
|
|
CL10
|
A:K0U204
|
3.4
|
23.2
|
0.5
|
|
CG
|
A:MET20
|
3.4
|
13.9
|
1.0
|
|
CL8
|
A:K0U204
|
3.8
|
26.2
|
0.5
|
|
C4
|
A:K0U203
|
4.0
|
16.5
|
0.2
|
|
C4
|
A:K0U203
|
4.0
|
17.8
|
0.2
|
|
C5
|
A:K0U203
|
4.0
|
15.3
|
0.2
|
|
C5
|
A:K0U203
|
4.0
|
19.4
|
0.2
|
|
CZ
|
A:PHE16
|
4.0
|
17.6
|
1.0
|
|
CG2
|
A:VAL25
|
4.1
|
13.9
|
1.0
|
|
CB
|
A:ALA33
|
4.1
|
16.5
|
1.0
|
|
CB
|
A:ASP76
|
4.3
|
22.6
|
1.0
|
|
CG1
|
A:VAL25
|
4.5
|
13.0
|
1.0
|
|
CE2
|
A:PHE16
|
4.5
|
17.3
|
1.0
|
|
CG
|
A:ASP76
|
4.5
|
19.7
|
1.0
|
|
CB
|
A:MET20
|
4.5
|
12.8
|
1.0
|
|
C3
|
A:K0U203
|
4.5
|
14.5
|
0.2
|
|
C3
|
A:K0U203
|
4.5
|
17.7
|
0.2
|
|
OD1
|
A:ASP76
|
4.7
|
19.6
|
1.0
|
|
S9
|
A:K0U204
|
4.7
|
25.8
|
0.5
|
|
CE
|
A:MET20
|
4.7
|
20.7
|
1.0
|
|
CB
|
A:VAL25
|
4.8
|
12.2
|
1.0
|
|
CE1
|
A:PHE16
|
4.9
|
18.3
|
1.0
|
|
Chlorine binding site 6 out
of 12 in 7fw0
Go back to
Chlorine Binding Sites List in 7fw0
Chlorine binding site 6 out
of 12 in the Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl203
b:18.6
occ:0.25
|
CL8
|
A:K0U203
|
0.0
|
18.6
|
0.2
|
|
CL8
|
A:K0U203
|
0.0
|
16.3
|
0.2
|
|
C2
|
A:K0U204
|
1.0
|
24.2
|
0.5
|
|
CL8
|
A:K0U204
|
1.5
|
26.2
|
0.5
|
|
C1
|
A:K0U204
|
1.5
|
20.8
|
0.5
|
|
C2
|
A:K0U203
|
1.7
|
14.0
|
0.2
|
|
C2
|
A:K0U203
|
1.7
|
17.1
|
0.2
|
|
C5
|
A:K0U204
|
2.2
|
19.6
|
0.5
|
|
CL7
|
A:K0U204
|
2.4
|
24.2
|
0.5
|
|
C1
|
A:K0U203
|
2.6
|
15.6
|
0.2
|
|
C1
|
A:K0U203
|
2.6
|
18.1
|
0.2
|
|
C5
|
A:K0U203
|
2.7
|
19.4
|
0.2
|
|
C6
|
A:K0U204
|
2.7
|
18.8
|
0.5
|
|
C5
|
A:K0U203
|
2.7
|
15.3
|
0.2
|
|
CL7
|
A:K0U203
|
3.0
|
18.2
|
0.2
|
|
CL7
|
A:K0U203
|
3.1
|
19.9
|
0.2
|
|
C3
|
A:K0U204
|
3.1
|
20.9
|
0.5
|
|
CB
|
A:ALA75
|
3.2
|
26.9
|
1.0
|
|
C4
|
A:K0U204
|
3.3
|
22.9
|
0.5
|
|
C4
|
A:K0U201
|
3.5
|
17.0
|
0.5
|
|
C3
|
A:K0U201
|
3.6
|
14.7
|
0.5
|
|
O16
|
A:K0U203
|
3.9
|
25.9
|
0.2
|
|
C6
|
A:K0U203
|
3.9
|
16.9
|
0.2
|
|
C6
|
A:K0U203
|
3.9
|
18.1
|
0.2
|
|
CL10
|
A:K0U201
|
3.9
|
17.0
|
0.5
|
|
CE2
|
A:PHE57
|
4.0
|
28.0
|
1.0
|
|
C6
|
A:K0U201
|
4.0
|
15.5
|
0.5
|
|
C3
|
A:K0U203
|
4.0
|
17.7
|
0.2
|
|
C3
|
A:K0U203
|
4.0
|
14.5
|
0.2
|
|
C5
|
A:K0U201
|
4.1
|
17.2
|
0.5
|
|
N
|
A:ASP76
|
4.1
|
23.1
|
1.0
|
|
S9
|
A:K0U201
|
4.1
|
14.0
|
0.5
|
|
CA
|
A:ALA75
|
4.2
|
22.4
|
1.0
|
|
C
|
A:ALA75
|
4.2
|
23.0
|
1.0
|
|
C1
|
A:K0U201
|
4.4
|
19.5
|
0.5
|
|
C2
|
A:K0U201
|
4.4
|
17.7
|
0.5
|
|
CB
|
A:ALA33
|
4.4
|
16.5
|
1.0
|
|
C4
|
A:K0U203
|
4.4
|
16.5
|
0.2
|
|
C4
|
A:K0U203
|
4.4
|
17.8
|
0.2
|
|
OD1
|
A:ASP76
|
4.6
|
19.6
|
1.0
|
|
CD2
|
A:PHE57
|
4.6
|
23.5
|
1.0
|
|
CB
|
A:ASP76
|
4.7
|
22.6
|
1.0
|
|
S9
|
A:K0U204
|
4.7
|
25.8
|
0.5
|
|
N
|
A:ALA75
|
4.7
|
20.5
|
1.0
|
|
CZ
|
A:PHE57
|
4.8
|
25.7
|
1.0
|
|
O
|
A:ALA75
|
4.8
|
26.6
|
1.0
|
|
CA
|
A:ASP76
|
4.9
|
25.3
|
1.0
|
|
O
|
A:HOH301
|
4.9
|
20.5
|
0.5
|
|
CL10
|
A:K0U204
|
5.0
|
23.2
|
0.5
|
|
C12
|
A:K0U203
|
5.0
|
28.8
|
0.2
|
|
Chlorine binding site 7 out
of 12 in 7fw0
Go back to
Chlorine Binding Sites List in 7fw0
Chlorine binding site 7 out
of 12 in the Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl203
b:16.3
occ:0.25
|
CL8
|
A:K0U203
|
0.0
|
16.3
|
0.2
|
|
CL8
|
A:K0U203
|
0.0
|
18.6
|
0.2
|
|
C2
|
A:K0U204
|
1.0
|
24.2
|
0.5
|
|
CL8
|
A:K0U204
|
1.4
|
26.2
|
0.5
|
|
C1
|
A:K0U204
|
1.5
|
20.8
|
0.5
|
|
C2
|
A:K0U203
|
1.7
|
14.0
|
0.2
|
|
C2
|
A:K0U203
|
1.7
|
17.1
|
0.2
|
|
C5
|
A:K0U204
|
2.2
|
19.6
|
0.5
|
|
CL7
|
A:K0U204
|
2.4
|
24.2
|
0.5
|
|
C1
|
A:K0U203
|
2.6
|
15.6
|
0.2
|
|
C1
|
A:K0U203
|
2.7
|
18.1
|
0.2
|
|
C5
|
A:K0U203
|
2.7
|
19.4
|
0.2
|
|
C5
|
A:K0U203
|
2.7
|
15.3
|
0.2
|
|
C6
|
A:K0U204
|
2.7
|
18.8
|
0.5
|
|
CL7
|
A:K0U203
|
3.0
|
18.2
|
0.2
|
|
CL7
|
A:K0U203
|
3.1
|
19.9
|
0.2
|
|
C3
|
A:K0U204
|
3.1
|
20.9
|
0.5
|
|
CB
|
A:ALA75
|
3.2
|
26.9
|
1.0
|
|
C4
|
A:K0U204
|
3.4
|
22.9
|
0.5
|
|
C4
|
A:K0U201
|
3.5
|
17.0
|
0.5
|
|
C3
|
A:K0U201
|
3.6
|
14.7
|
0.5
|
|
O16
|
A:K0U203
|
3.9
|
25.9
|
0.2
|
|
C6
|
A:K0U203
|
3.9
|
16.9
|
0.2
|
|
CL10
|
A:K0U201
|
3.9
|
17.0
|
0.5
|
|
C6
|
A:K0U203
|
3.9
|
18.1
|
0.2
|
|
CE2
|
A:PHE57
|
3.9
|
28.0
|
1.0
|
|
C6
|
A:K0U201
|
4.0
|
15.5
|
0.5
|
|
C3
|
A:K0U203
|
4.0
|
17.7
|
0.2
|
|
C3
|
A:K0U203
|
4.0
|
14.5
|
0.2
|
|
C5
|
A:K0U201
|
4.0
|
17.2
|
0.5
|
|
S9
|
A:K0U201
|
4.1
|
14.0
|
0.5
|
|
N
|
A:ASP76
|
4.1
|
23.1
|
1.0
|
|
CA
|
A:ALA75
|
4.2
|
22.4
|
1.0
|
|
C
|
A:ALA75
|
4.2
|
23.0
|
1.0
|
|
C1
|
A:K0U201
|
4.4
|
19.5
|
0.5
|
|
C2
|
A:K0U201
|
4.4
|
17.7
|
0.5
|
|
CB
|
A:ALA33
|
4.4
|
16.5
|
1.0
|
|
C4
|
A:K0U203
|
4.5
|
16.5
|
0.2
|
|
C4
|
A:K0U203
|
4.5
|
17.8
|
0.2
|
|
CD2
|
A:PHE57
|
4.6
|
23.5
|
1.0
|
|
OD1
|
A:ASP76
|
4.6
|
19.6
|
1.0
|
|
CB
|
A:ASP76
|
4.7
|
22.6
|
1.0
|
|
S9
|
A:K0U204
|
4.7
|
25.8
|
0.5
|
|
N
|
A:ALA75
|
4.7
|
20.5
|
1.0
|
|
CZ
|
A:PHE57
|
4.8
|
25.7
|
1.0
|
|
O
|
A:ALA75
|
4.9
|
26.6
|
1.0
|
|
O
|
A:HOH301
|
4.9
|
20.5
|
0.5
|
|
CA
|
A:ASP76
|
4.9
|
25.3
|
1.0
|
|
CL10
|
A:K0U204
|
5.0
|
23.2
|
0.5
|
|
Chlorine binding site 8 out
of 12 in 7fw0
Go back to
Chlorine Binding Sites List in 7fw0
Chlorine binding site 8 out
of 12 in the Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl203
b:20.0
occ:0.25
|
CL10
|
A:K0U203
|
0.0
|
20.0
|
0.2
|
|
CL10
|
A:K0U203
|
0.0
|
17.0
|
0.2
|
|
O
|
A:HOH354
|
1.6
|
16.7
|
0.5
|
|
C4
|
A:K0U203
|
1.7
|
17.8
|
0.2
|
|
C4
|
A:K0U203
|
1.7
|
16.5
|
0.2
|
|
CL10
|
A:K0U204
|
2.3
|
23.2
|
0.5
|
|
S9
|
A:K0U204
|
2.6
|
25.8
|
0.5
|
|
C6
|
A:K0U203
|
2.7
|
18.1
|
0.2
|
|
C3
|
A:K0U203
|
2.7
|
14.5
|
0.2
|
|
C3
|
A:K0U203
|
2.7
|
17.7
|
0.2
|
|
C6
|
A:K0U203
|
2.7
|
16.9
|
0.2
|
|
OH
|
A:TYR19
|
2.9
|
15.2
|
1.0
|
|
S9
|
A:K0U203
|
3.1
|
22.0
|
0.2
|
|
S9
|
A:K0U203
|
3.1
|
19.0
|
0.2
|
|
C4
|
A:K0U204
|
3.2
|
22.9
|
0.5
|
|
NH2
|
A:ARG78
|
3.2
|
16.2
|
1.0
|
|
CE2
|
A:TYR19
|
3.3
|
14.2
|
1.0
|
|
C3
|
A:K0U204
|
3.3
|
20.9
|
0.5
|
|
CZ
|
A:TYR19
|
3.5
|
13.9
|
1.0
|
|
C15
|
A:K0U201
|
3.9
|
16.9
|
0.5
|
|
C5
|
A:K0U203
|
4.0
|
15.3
|
0.2
|
|
C1
|
A:K0U203
|
4.0
|
18.1
|
0.2
|
|
C5
|
A:K0U203
|
4.0
|
19.4
|
0.2
|
|
C1
|
A:K0U203
|
4.0
|
15.6
|
0.2
|
|
CZ
|
A:ARG78
|
4.1
|
14.4
|
1.0
|
|
OE1
|
A:GLN95
|
4.3
|
15.9
|
1.0
|
|
CG2
|
A:VAL23
|
4.3
|
14.9
|
1.0
|
|
C6
|
A:K0U204
|
4.4
|
18.8
|
0.5
|
|
C2
|
A:K0U203
|
4.4
|
17.1
|
0.2
|
|
C2
|
A:K0U203
|
4.5
|
14.0
|
0.2
|
|
CD2
|
A:TYR19
|
4.5
|
13.8
|
1.0
|
|
CG1
|
A:VAL23
|
4.6
|
16.5
|
1.0
|
|
NH1
|
A:ARG78
|
4.6
|
16.3
|
1.0
|
|
C5
|
A:K0U204
|
4.6
|
19.6
|
0.5
|
|
CG2
|
A:THR102
|
4.6
|
13.8
|
1.0
|
|
C11
|
A:K0U203
|
4.8
|
16.6
|
0.2
|
|
C11
|
A:K0U203
|
4.8
|
29.1
|
0.2
|
|
CE1
|
A:TYR19
|
4.8
|
13.2
|
1.0
|
|
CD1
|
A:ILE104
|
4.8
|
28.3
|
1.0
|
|
OD1
|
A:ASP76
|
4.9
|
19.6
|
1.0
|
|
CB
|
A:VAL23
|
4.9
|
13.9
|
1.0
|
|
Chlorine binding site 9 out
of 12 in 7fw0
Go back to
Chlorine Binding Sites List in 7fw0
Chlorine binding site 9 out
of 12 in the Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl203
b:17.0
occ:0.25
|
CL10
|
A:K0U203
|
0.0
|
17.0
|
0.2
|
|
CL10
|
A:K0U203
|
0.0
|
20.0
|
0.2
|
|
O
|
A:HOH354
|
1.6
|
16.7
|
0.5
|
|
C4
|
A:K0U203
|
1.7
|
17.8
|
0.2
|
|
C4
|
A:K0U203
|
1.7
|
16.5
|
0.2
|
|
CL10
|
A:K0U204
|
2.3
|
23.2
|
0.5
|
|
S9
|
A:K0U204
|
2.6
|
25.8
|
0.5
|
|
C6
|
A:K0U203
|
2.7
|
18.1
|
0.2
|
|
C3
|
A:K0U203
|
2.7
|
14.5
|
0.2
|
|
C6
|
A:K0U203
|
2.7
|
16.9
|
0.2
|
|
C3
|
A:K0U203
|
2.7
|
17.7
|
0.2
|
|
OH
|
A:TYR19
|
2.9
|
15.2
|
1.0
|
|
S9
|
A:K0U203
|
3.1
|
19.0
|
0.2
|
|
S9
|
A:K0U203
|
3.1
|
22.0
|
0.2
|
|
C4
|
A:K0U204
|
3.2
|
22.9
|
0.5
|
|
NH2
|
A:ARG78
|
3.2
|
16.2
|
1.0
|
|
CE2
|
A:TYR19
|
3.2
|
14.2
|
1.0
|
|
C3
|
A:K0U204
|
3.3
|
20.9
|
0.5
|
|
CZ
|
A:TYR19
|
3.5
|
13.9
|
1.0
|
|
C15
|
A:K0U201
|
3.9
|
16.9
|
0.5
|
|
C1
|
A:K0U203
|
3.9
|
18.1
|
0.2
|
|
C5
|
A:K0U203
|
3.9
|
15.3
|
0.2
|
|
C5
|
A:K0U203
|
4.0
|
19.4
|
0.2
|
|
C1
|
A:K0U203
|
4.0
|
15.6
|
0.2
|
|
CZ
|
A:ARG78
|
4.2
|
14.4
|
1.0
|
|
CG2
|
A:VAL23
|
4.3
|
14.9
|
1.0
|
|
OE1
|
A:GLN95
|
4.3
|
15.9
|
1.0
|
|
C6
|
A:K0U204
|
4.4
|
18.8
|
0.5
|
|
C2
|
A:K0U203
|
4.4
|
17.1
|
0.2
|
|
CD2
|
A:TYR19
|
4.4
|
13.8
|
1.0
|
|
C2
|
A:K0U203
|
4.5
|
14.0
|
0.2
|
|
CG1
|
A:VAL23
|
4.6
|
16.5
|
1.0
|
|
C5
|
A:K0U204
|
4.6
|
19.6
|
0.5
|
|
NH1
|
A:ARG78
|
4.6
|
16.3
|
1.0
|
|
CG2
|
A:THR102
|
4.6
|
13.8
|
1.0
|
|
C11
|
A:K0U203
|
4.8
|
16.6
|
0.2
|
|
C11
|
A:K0U203
|
4.8
|
29.1
|
0.2
|
|
CE1
|
A:TYR19
|
4.8
|
13.2
|
1.0
|
|
CD1
|
A:ILE104
|
4.9
|
28.3
|
1.0
|
|
OD1
|
A:ASP76
|
4.9
|
19.6
|
1.0
|
|
CB
|
A:VAL23
|
4.9
|
13.9
|
1.0
|
|
Chlorine binding site 10 out
of 12 in 7fw0
Go back to
Chlorine Binding Sites List in 7fw0
Chlorine binding site 10 out
of 12 in the Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of Crystal Structure of Human FABP4 in Complex with 3-Methyl-2-(2,4,5- Trichlorophenyl)Sulfanylbutanoic Acid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl204
b:24.2
occ:0.50
|
CL7
|
A:K0U204
|
0.0
|
24.2
|
0.5
|
|
C1
|
A:K0U204
|
1.7
|
20.8
|
0.5
|
|
CL7
|
A:K0U203
|
2.3
|
18.2
|
0.2
|
|
CL7
|
A:K0U203
|
2.3
|
19.9
|
0.2
|
|
CL8
|
A:K0U203
|
2.4
|
18.6
|
0.2
|
|
CL8
|
A:K0U203
|
2.4
|
16.3
|
0.2
|
|
C6
|
A:K0U204
|
2.6
|
18.8
|
0.5
|
|
C2
|
A:K0U204
|
2.7
|
24.2
|
0.5
|
|
CL8
|
A:K0U204
|
3.1
|
26.2
|
0.5
|
|
C1
|
A:K0U203
|
3.1
|
15.6
|
0.2
|
|
C1
|
A:K0U203
|
3.1
|
18.1
|
0.2
|
|
C2
|
A:K0U203
|
3.2
|
14.0
|
0.2
|
|
C2
|
A:K0U203
|
3.2
|
17.1
|
0.2
|
|
CB
|
A:ALA33
|
3.3
|
16.5
|
1.0
|
|
CB
|
A:ASP76
|
3.4
|
22.6
|
1.0
|
|
CE2
|
A:PHE57
|
3.5
|
28.0
|
1.0
|
|
CG2
|
A:THR29
|
3.6
|
16.3
|
1.0
|
|
CZ
|
A:PHE57
|
3.7
|
25.7
|
1.0
|
|
N
|
A:ASP76
|
3.8
|
23.1
|
1.0
|
|
C4
|
A:K0U204
|
3.9
|
22.9
|
0.5
|
|
CA
|
A:ASP76
|
3.9
|
25.3
|
1.0
|
|
C5
|
A:K0U204
|
4.0
|
19.6
|
0.5
|
|
C
|
A:ALA75
|
4.2
|
23.0
|
1.0
|
|
CG
|
A:ASP76
|
4.3
|
19.7
|
1.0
|
|
C6
|
A:K0U203
|
4.4
|
16.9
|
0.2
|
|
C6
|
A:K0U203
|
4.4
|
18.1
|
0.2
|
|
C3
|
A:K0U204
|
4.4
|
20.9
|
0.5
|
|
C5
|
A:K0U203
|
4.5
|
19.4
|
0.2
|
|
C5
|
A:K0U203
|
4.5
|
15.3
|
0.2
|
|
O
|
A:ALA75
|
4.5
|
26.6
|
1.0
|
|
CB
|
A:ALA75
|
4.5
|
26.9
|
1.0
|
|
SD
|
A:MET20
|
4.5
|
17.3
|
1.0
|
|
OD1
|
A:ASP76
|
4.6
|
19.6
|
1.0
|
|
CD2
|
A:PHE57
|
4.6
|
23.5
|
1.0
|
|
CG1
|
A:VAL25
|
4.7
|
13.0
|
1.0
|
|
CA
|
A:ALA33
|
4.8
|
13.9
|
1.0
|
|
O
|
A:THR29
|
4.8
|
13.2
|
1.0
|
|
CE1
|
A:PHE57
|
4.9
|
28.8
|
1.0
|
|
CA
|
A:ALA75
|
5.0
|
22.4
|
1.0
|
|
Reference:
U.Obst,
C.Magnone,
B.Kuhn,
M.G.Rudolph.
Crystal Structure of A Human FABP4 Complex To Be Published.
Page generated: Mon Jul 29 21:00:18 2024
|
