Chlorine in PDB 7fxw: Crystal Structure of Human FABP4 in Complex with 5,6-Dichloro-3-(2- Chlorophenyl)-1H-Indole-2-Carboxylic Acid
Protein crystallography data
The structure of Crystal Structure of Human FABP4 in Complex with 5,6-Dichloro-3-(2- Chlorophenyl)-1H-Indole-2-Carboxylic Acid, PDB code: 7fxw
was solved by
A.Ehler,
J.Benz,
U.Obst,
M.G.Rudolph,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
43.69 /
1.18
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
32.135,
53.723,
75.058,
90,
90,
90
|
|
R / Rfree (%)
|
14 /
18.2
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 5,6-Dichloro-3-(2- Chlorophenyl)-1H-Indole-2-Carboxylic Acid
(pdb code 7fxw). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the
Crystal Structure of Human FABP4 in Complex with 5,6-Dichloro-3-(2- Chlorophenyl)-1H-Indole-2-Carboxylic Acid, PDB code: 7fxw:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
Chlorine binding site 1 out
of 6 in 7fxw
Go back to
Chlorine Binding Sites List in 7fxw
Chlorine binding site 1 out
of 6 in the Crystal Structure of Human FABP4 in Complex with 5,6-Dichloro-3-(2- Chlorophenyl)-1H-Indole-2-Carboxylic 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 5,6-Dichloro-3-(2- Chlorophenyl)-1H-Indole-2-Carboxylic Acid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:19.6
occ:0.70
|
CL16
|
A:UB8201
|
0.0
|
19.6
|
0.7
|
|
C10
|
A:UB8201
|
0.5
|
18.2
|
0.3
|
|
H27
|
A:UB8201
|
0.9
|
17.1
|
0.3
|
|
C17
|
A:UB8201
|
1.2
|
17.1
|
0.3
|
|
H32
|
A:UB8201
|
1.7
|
16.9
|
0.3
|
|
C9
|
A:UB8201
|
1.7
|
13.8
|
0.7
|
|
C4
|
A:UB8201
|
1.9
|
16.1
|
0.3
|
|
C21
|
A:UB8201
|
2.5
|
17.4
|
0.3
|
|
C4
|
A:UB8201
|
2.7
|
11.8
|
0.7
|
|
C15
|
A:UB8201
|
2.7
|
13.2
|
0.7
|
|
C1
|
A:UB8201
|
2.8
|
13.6
|
0.3
|
|
H31
|
A:UB8201
|
2.8
|
14.2
|
0.7
|
|
C9
|
A:UB8201
|
2.9
|
15.6
|
0.3
|
|
HB2
|
A:ALA75
|
2.9
|
16.4
|
1.0
|
|
O14
|
A:UB8201
|
3.0
|
14.6
|
0.3
|
|
C1
|
A:UB8201
|
3.0
|
13.2
|
0.7
|
|
C15
|
A:UB8201
|
3.1
|
17.1
|
0.3
|
|
O14
|
A:UB8201
|
3.2
|
21.3
|
0.7
|
|
HG23
|
A:THR60
|
3.2
|
15.1
|
1.0
|
|
C3
|
A:UB8201
|
3.2
|
12.9
|
0.3
|
|
HB3
|
A:SER53
|
3.2
|
19.4
|
1.0
|
|
C8
|
A:UB8201
|
3.2
|
13.8
|
0.3
|
|
HB2
|
A:SER53
|
3.2
|
19.5
|
1.0
|
|
H33
|
A:UB8201
|
3.3
|
15.5
|
0.3
|
|
C3
|
A:UB8201
|
3.3
|
18.2
|
0.7
|
|
C8
|
A:UB8201
|
3.3
|
24.6
|
0.7
|
|
HG21
|
A:THR60
|
3.5
|
15.5
|
1.0
|
|
O
|
A:HOH343
|
3.5
|
19.8
|
1.0
|
|
CB
|
A:SER53
|
3.6
|
20.0
|
1.0
|
|
OG1
|
A:THR60
|
3.7
|
15.6
|
1.0
|
|
CB
|
A:ALA75
|
3.7
|
16.6
|
1.0
|
|
CG2
|
A:THR60
|
3.7
|
16.0
|
1.0
|
|
HB1
|
A:ALA75
|
3.8
|
16.4
|
1.0
|
|
HB3
|
A:ALA75
|
3.9
|
16.2
|
1.0
|
|
C21
|
A:UB8201
|
3.9
|
18.1
|
0.7
|
|
C10
|
A:UB8201
|
4.0
|
18.5
|
0.7
|
|
C2
|
A:UB8201
|
4.0
|
12.6
|
0.3
|
|
O13
|
A:UB8201
|
4.0
|
22.0
|
0.7
|
|
C2
|
A:UB8201
|
4.1
|
12.0
|
0.7
|
|
OG
|
A:SER53
|
4.1
|
31.6
|
1.0
|
|
O13
|
A:UB8201
|
4.1
|
17.1
|
0.3
|
|
H31
|
A:UB8201
|
4.1
|
17.2
|
0.3
|
|
O
|
A:HOH372
|
4.1
|
24.1
|
1.0
|
|
HB2
|
A:LYS58
|
4.2
|
19.0
|
1.0
|
|
HG1
|
A:THR60
|
4.2
|
14.8
|
1.0
|
|
CB
|
A:THR60
|
4.4
|
14.3
|
1.0
|
|
N7
|
A:UB8201
|
4.4
|
17.8
|
0.7
|
|
HG
|
A:SER53
|
4.4
|
25.1
|
1.0
|
|
C17
|
A:UB8201
|
4.4
|
19.8
|
0.7
|
|
N7
|
A:UB8201
|
4.5
|
17.2
|
0.3
|
|
CL16
|
A:UB8201
|
4.5
|
20.6
|
0.3
|
|
HG22
|
A:THR60
|
4.5
|
16.0
|
1.0
|
|
H25
|
A:UB8201
|
4.6
|
12.2
|
0.3
|
|
O
|
A:LYS58
|
4.7
|
13.5
|
1.0
|
|
H
|
A:THR60
|
4.8
|
12.2
|
1.0
|
|
H33
|
A:UB8201
|
4.8
|
15.9
|
0.7
|
|
C6
|
A:UB8201
|
4.8
|
10.9
|
0.3
|
|
H27
|
A:UB8201
|
4.8
|
15.9
|
0.7
|
|
H
|
A:ALA75
|
4.8
|
14.5
|
1.0
|
|
C5
|
A:UB8201
|
4.8
|
13.6
|
0.3
|
|
C5
|
A:UB8201
|
4.9
|
14.1
|
0.7
|
|
O
|
A:HOH306
|
4.9
|
22.5
|
1.0
|
|
H25
|
A:UB8201
|
4.9
|
11.7
|
0.7
|
|
C6
|
A:UB8201
|
5.0
|
11.1
|
0.7
|
|
CA
|
A:ALA75
|
5.0
|
16.7
|
1.0
|
|
HD2
|
A:PHE57
|
5.0
|
21.1
|
1.0
|
|
CA
|
A:SER53
|
5.0
|
14.9
|
1.0
|
|
Chlorine binding site 2 out
of 6 in 7fxw
Go back to
Chlorine Binding Sites List in 7fxw
Chlorine binding site 2 out
of 6 in the Crystal Structure of Human FABP4 in Complex with 5,6-Dichloro-3-(2- Chlorophenyl)-1H-Indole-2-Carboxylic 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 5,6-Dichloro-3-(2- Chlorophenyl)-1H-Indole-2-Carboxylic Acid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:20.6
occ:0.30
|
CL16
|
A:UB8201
|
0.0
|
20.6
|
0.3
|
|
C10
|
A:UB8201
|
0.6
|
18.5
|
0.7
|
|
H27
|
A:UB8201
|
0.6
|
15.9
|
0.7
|
|
C17
|
A:UB8201
|
1.6
|
19.8
|
0.7
|
|
C9
|
A:UB8201
|
1.8
|
15.6
|
0.3
|
|
C4
|
A:UB8201
|
1.9
|
11.8
|
0.7
|
|
H32
|
A:UB8201
|
2.0
|
17.8
|
0.7
|
|
C4
|
A:UB8201
|
2.7
|
16.1
|
0.3
|
|
C1
|
A:UB8201
|
2.7
|
13.2
|
0.7
|
|
C15
|
A:UB8201
|
2.8
|
17.1
|
0.3
|
|
C21
|
A:UB8201
|
2.8
|
18.1
|
0.7
|
|
H25
|
A:UB8201
|
2.9
|
11.7
|
0.7
|
|
H31
|
A:UB8201
|
2.9
|
17.2
|
0.3
|
|
C9
|
A:UB8201
|
2.9
|
13.8
|
0.7
|
|
H25
|
A:UB8201
|
3.1
|
12.2
|
0.3
|
|
C1
|
A:UB8201
|
3.1
|
13.6
|
0.3
|
|
C2
|
A:UB8201
|
3.2
|
12.0
|
0.7
|
|
HE2
|
A:PHE16
|
3.3
|
13.1
|
1.0
|
|
C15
|
A:UB8201
|
3.3
|
13.2
|
0.7
|
|
C6
|
A:UB8201
|
3.3
|
11.1
|
0.7
|
|
C2
|
A:UB8201
|
3.4
|
12.6
|
0.3
|
|
HH22
|
A:ARG126
|
3.4
|
18.3
|
1.0
|
|
HH21
|
A:ARG126
|
3.5
|
18.7
|
1.0
|
|
C6
|
A:UB8201
|
3.5
|
10.9
|
0.3
|
|
HB1
|
A:ALA33
|
3.5
|
11.8
|
1.0
|
|
NH2
|
A:ARG126
|
3.6
|
19.3
|
1.0
|
|
O
|
A:HOH306
|
3.6
|
22.5
|
1.0
|
|
HZ
|
A:PHE16
|
3.7
|
13.1
|
1.0
|
|
H33
|
A:UB8201
|
3.7
|
15.9
|
0.7
|
|
O
|
A:HOH341
|
3.8
|
14.7
|
1.0
|
|
C3
|
A:UB8201
|
3.8
|
18.2
|
0.7
|
|
HG3
|
A:PRO38
|
3.9
|
18.5
|
1.0
|
|
CE2
|
A:PHE16
|
3.9
|
13.8
|
1.0
|
|
O
|
A:ALA33
|
3.9
|
12.9
|
1.0
|
|
C10
|
A:UB8201
|
4.0
|
18.2
|
0.3
|
|
HB3
|
A:ALA36
|
4.0
|
15.8
|
1.0
|
|
C21
|
A:UB8201
|
4.0
|
17.4
|
0.3
|
|
HD2
|
A:PHE57
|
4.1
|
21.1
|
1.0
|
|
CZ
|
A:PHE16
|
4.1
|
13.6
|
1.0
|
|
C3
|
A:UB8201
|
4.2
|
12.9
|
0.3
|
|
H31
|
A:UB8201
|
4.4
|
14.2
|
0.7
|
|
CB
|
A:ALA33
|
4.4
|
11.6
|
1.0
|
|
C5
|
A:UB8201
|
4.4
|
14.1
|
0.7
|
|
O14
|
A:UB8201
|
4.4
|
21.3
|
0.7
|
|
CL16
|
A:UB8201
|
4.5
|
19.6
|
0.7
|
|
HE2
|
A:PHE57
|
4.5
|
24.7
|
1.0
|
|
HA
|
A:ALA33
|
4.5
|
11.1
|
1.0
|
|
C17
|
A:UB8201
|
4.5
|
17.1
|
0.3
|
|
C5
|
A:UB8201
|
4.5
|
13.6
|
0.3
|
|
C12
|
A:UB8201
|
4.6
|
10.9
|
0.7
|
|
CZ
|
A:ARG126
|
4.6
|
15.2
|
1.0
|
|
C12
|
A:UB8201
|
4.6
|
11.3
|
0.3
|
|
HD3
|
A:PRO38
|
4.6
|
14.8
|
1.0
|
|
O14
|
A:UB8201
|
4.6
|
14.6
|
0.3
|
|
C
|
A:ALA33
|
4.6
|
11.3
|
1.0
|
|
C8
|
A:UB8201
|
4.7
|
24.6
|
0.7
|
|
N7
|
A:UB8201
|
4.7
|
17.8
|
0.7
|
|
CD2
|
A:PHE57
|
4.8
|
20.0
|
1.0
|
|
CA
|
A:ALA33
|
4.8
|
11.2
|
1.0
|
|
CG
|
A:PRO38
|
4.8
|
19.6
|
1.0
|
|
H27
|
A:UB8201
|
4.8
|
17.1
|
0.3
|
|
CB
|
A:ALA36
|
4.9
|
15.6
|
1.0
|
|
H33
|
A:UB8201
|
4.9
|
15.5
|
0.3
|
|
HB2
|
A:ALA33
|
4.9
|
12.7
|
1.0
|
|
N7
|
A:UB8201
|
4.9
|
17.2
|
0.3
|
|
HB3
|
A:ALA33
|
4.9
|
11.8
|
1.0
|
|
C8
|
A:UB8201
|
5.0
|
13.8
|
0.3
|
|
CE2
|
A:PHE57
|
5.0
|
26.2
|
1.0
|
|
Chlorine binding site 3 out
of 6 in 7fxw
Go back to
Chlorine Binding Sites List in 7fxw
Chlorine binding site 3 out
of 6 in the Crystal Structure of Human FABP4 in Complex with 5,6-Dichloro-3-(2- Chlorophenyl)-1H-Indole-2-Carboxylic 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 5,6-Dichloro-3-(2- Chlorophenyl)-1H-Indole-2-Carboxylic Acid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:14.1
occ:0.70
|
CL19
|
A:UB8201
|
0.0
|
14.1
|
0.7
|
|
CL19
|
A:UB8201
|
0.1
|
13.2
|
0.3
|
|
C12
|
A:UB8201
|
1.7
|
11.3
|
0.3
|
|
C12
|
A:UB8201
|
1.7
|
10.9
|
0.7
|
|
C6
|
A:UB8201
|
2.7
|
11.1
|
0.7
|
|
C6
|
A:UB8201
|
2.7
|
10.9
|
0.3
|
|
C18
|
A:UB8201
|
2.7
|
12.5
|
0.3
|
|
C18
|
A:UB8201
|
2.7
|
12.6
|
0.7
|
|
H25
|
A:UB8201
|
2.8
|
11.7
|
0.7
|
|
HB3
|
A:ASP76
|
2.8
|
15.4
|
1.0
|
|
H25
|
A:UB8201
|
2.9
|
12.2
|
0.3
|
|
HG21
|
A:VAL25
|
3.0
|
12.3
|
1.0
|
|
CL22
|
A:UB8201
|
3.2
|
13.2
|
0.3
|
|
CL22
|
A:UB8201
|
3.2
|
14.4
|
0.7
|
|
HG2
|
A:MET20
|
3.2
|
11.2
|
1.0
|
|
HG11
|
A:VAL25
|
3.2
|
11.8
|
1.0
|
|
SD
|
A:MET20
|
3.4
|
11.6
|
1.0
|
|
HG22
|
A:THR29
|
3.6
|
12.9
|
1.0
|
|
HB1
|
A:ALA33
|
3.7
|
11.8
|
1.0
|
|
CB
|
A:ASP76
|
3.8
|
15.7
|
1.0
|
|
HB3
|
A:ALA33
|
3.8
|
11.8
|
1.0
|
|
HB2
|
A:ALA33
|
3.8
|
12.7
|
1.0
|
|
CG
|
A:MET20
|
3.8
|
11.2
|
1.0
|
|
CG2
|
A:VAL25
|
3.9
|
12.6
|
1.0
|
|
CB
|
A:ALA33
|
3.9
|
11.6
|
1.0
|
|
C2
|
A:UB8201
|
4.0
|
12.0
|
0.7
|
|
C11
|
A:UB8201
|
4.0
|
16.0
|
0.7
|
|
C11
|
A:UB8201
|
4.0
|
15.3
|
0.3
|
|
C2
|
A:UB8201
|
4.0
|
12.6
|
0.3
|
|
CG1
|
A:VAL25
|
4.1
|
12.0
|
1.0
|
|
CG
|
A:ASP76
|
4.2
|
15.2
|
1.0
|
|
HZ
|
A:PHE16
|
4.2
|
13.1
|
1.0
|
|
HB2
|
A:ASP76
|
4.2
|
15.8
|
1.0
|
|
HE2
|
A:PHE57
|
4.3
|
24.7
|
1.0
|
|
HG22
|
A:VAL25
|
4.3
|
12.4
|
1.0
|
|
OD1
|
A:ASP76
|
4.3
|
15.7
|
1.0
|
|
H
|
A:ASP76
|
4.4
|
15.0
|
1.0
|
|
HG13
|
A:VAL25
|
4.4
|
11.9
|
1.0
|
|
HB3
|
A:ALA75
|
4.4
|
16.2
|
1.0
|
|
CG2
|
A:THR29
|
4.4
|
13.2
|
1.0
|
|
C5
|
A:UB8201
|
4.4
|
14.1
|
0.7
|
|
HG23
|
A:VAL25
|
4.5
|
12.8
|
1.0
|
|
C5
|
A:UB8201
|
4.5
|
13.6
|
0.3
|
|
HB3
|
A:MET20
|
4.5
|
10.4
|
1.0
|
|
HG3
|
A:MET20
|
4.5
|
10.8
|
1.0
|
|
HG21
|
A:THR29
|
4.5
|
13.4
|
1.0
|
|
HG23
|
A:THR29
|
4.5
|
12.5
|
1.0
|
|
N
|
A:ASP76
|
4.6
|
15.1
|
1.0
|
|
HE2
|
A:PHE16
|
4.6
|
13.1
|
1.0
|
|
CB
|
A:VAL25
|
4.6
|
11.0
|
1.0
|
|
CA
|
A:ASP76
|
4.6
|
14.8
|
1.0
|
|
HA
|
A:ASP76
|
4.7
|
15.2
|
1.0
|
|
CZ
|
A:PHE16
|
4.7
|
13.6
|
1.0
|
|
HZ
|
A:PHE57
|
4.8
|
24.4
|
1.0
|
|
HG12
|
A:VAL25
|
4.8
|
11.9
|
1.0
|
|
CB
|
A:MET20
|
4.8
|
10.2
|
1.0
|
|
HA
|
A:ARG30
|
4.8
|
11.5
|
1.0
|
|
H28
|
A:UB8201
|
4.8
|
14.6
|
0.3
|
|
H28
|
A:UB8201
|
4.9
|
14.9
|
0.7
|
|
OD2
|
A:ASP76
|
4.9
|
15.8
|
1.0
|
|
HB
|
A:VAL25
|
4.9
|
11.2
|
1.0
|
|
CE2
|
A:PHE57
|
4.9
|
26.2
|
1.0
|
|
CE2
|
A:PHE16
|
5.0
|
13.8
|
1.0
|
|
Chlorine binding site 4 out
of 6 in 7fxw
Go back to
Chlorine Binding Sites List in 7fxw
Chlorine binding site 4 out
of 6 in the Crystal Structure of Human FABP4 in Complex with 5,6-Dichloro-3-(2- Chlorophenyl)-1H-Indole-2-Carboxylic 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 5,6-Dichloro-3-(2- Chlorophenyl)-1H-Indole-2-Carboxylic Acid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:13.2
occ:0.30
|
CL19
|
A:UB8201
|
0.0
|
13.2
|
0.3
|
|
CL19
|
A:UB8201
|
0.1
|
14.1
|
0.7
|
|
C12
|
A:UB8201
|
1.8
|
11.3
|
0.3
|
|
C12
|
A:UB8201
|
1.8
|
10.9
|
0.7
|
|
C6
|
A:UB8201
|
2.7
|
11.1
|
0.7
|
|
C6
|
A:UB8201
|
2.7
|
10.9
|
0.3
|
|
HB3
|
A:ASP76
|
2.7
|
15.4
|
1.0
|
|
H25
|
A:UB8201
|
2.7
|
11.7
|
0.7
|
|
C18
|
A:UB8201
|
2.8
|
12.5
|
0.3
|
|
C18
|
A:UB8201
|
2.8
|
12.6
|
0.7
|
|
H25
|
A:UB8201
|
2.8
|
12.2
|
0.3
|
|
HG21
|
A:VAL25
|
3.0
|
12.3
|
1.0
|
|
CL22
|
A:UB8201
|
3.2
|
14.4
|
0.7
|
|
CL22
|
A:UB8201
|
3.2
|
13.2
|
0.3
|
|
HG11
|
A:VAL25
|
3.2
|
11.8
|
1.0
|
|
HG2
|
A:MET20
|
3.3
|
11.2
|
1.0
|
|
SD
|
A:MET20
|
3.5
|
11.6
|
1.0
|
|
HG22
|
A:THR29
|
3.6
|
12.9
|
1.0
|
|
CB
|
A:ASP76
|
3.7
|
15.7
|
1.0
|
|
HB1
|
A:ALA33
|
3.7
|
11.8
|
1.0
|
|
HB2
|
A:ALA33
|
3.8
|
12.7
|
1.0
|
|
HB3
|
A:ALA33
|
3.8
|
11.8
|
1.0
|
|
CG
|
A:MET20
|
3.9
|
11.2
|
1.0
|
|
CB
|
A:ALA33
|
3.9
|
11.6
|
1.0
|
|
CG2
|
A:VAL25
|
4.0
|
12.6
|
1.0
|
|
C2
|
A:UB8201
|
4.0
|
12.0
|
0.7
|
|
C2
|
A:UB8201
|
4.0
|
12.6
|
0.3
|
|
C11
|
A:UB8201
|
4.0
|
16.0
|
0.7
|
|
C11
|
A:UB8201
|
4.0
|
15.3
|
0.3
|
|
CG1
|
A:VAL25
|
4.1
|
12.0
|
1.0
|
|
CG
|
A:ASP76
|
4.1
|
15.2
|
1.0
|
|
HB2
|
A:ASP76
|
4.1
|
15.8
|
1.0
|
|
HE2
|
A:PHE57
|
4.2
|
24.7
|
1.0
|
|
OD1
|
A:ASP76
|
4.3
|
15.7
|
1.0
|
|
HG22
|
A:VAL25
|
4.3
|
12.4
|
1.0
|
|
HZ
|
A:PHE16
|
4.3
|
13.1
|
1.0
|
|
H
|
A:ASP76
|
4.3
|
15.0
|
1.0
|
|
HB3
|
A:ALA75
|
4.3
|
16.2
|
1.0
|
|
CG2
|
A:THR29
|
4.3
|
13.2
|
1.0
|
|
HG13
|
A:VAL25
|
4.4
|
11.9
|
1.0
|
|
HG21
|
A:THR29
|
4.4
|
13.4
|
1.0
|
|
C5
|
A:UB8201
|
4.4
|
14.1
|
0.7
|
|
HG23
|
A:THR29
|
4.5
|
12.5
|
1.0
|
|
N
|
A:ASP76
|
4.5
|
15.1
|
1.0
|
|
C5
|
A:UB8201
|
4.5
|
13.6
|
0.3
|
|
HG23
|
A:VAL25
|
4.5
|
12.8
|
1.0
|
|
CA
|
A:ASP76
|
4.5
|
14.8
|
1.0
|
|
HB3
|
A:MET20
|
4.6
|
10.4
|
1.0
|
|
HA
|
A:ASP76
|
4.6
|
15.2
|
1.0
|
|
HG3
|
A:MET20
|
4.6
|
10.8
|
1.0
|
|
CB
|
A:VAL25
|
4.6
|
11.0
|
1.0
|
|
HE2
|
A:PHE16
|
4.7
|
13.1
|
1.0
|
|
HZ
|
A:PHE57
|
4.7
|
24.4
|
1.0
|
|
HG12
|
A:VAL25
|
4.8
|
11.9
|
1.0
|
|
OD2
|
A:ASP76
|
4.8
|
15.8
|
1.0
|
|
CZ
|
A:PHE16
|
4.8
|
13.6
|
1.0
|
|
CE2
|
A:PHE57
|
4.9
|
26.2
|
1.0
|
|
H28
|
A:UB8201
|
4.9
|
14.9
|
0.7
|
|
H28
|
A:UB8201
|
4.9
|
14.6
|
0.3
|
|
CB
|
A:MET20
|
4.9
|
10.2
|
1.0
|
|
HA
|
A:ARG30
|
4.9
|
11.5
|
1.0
|
|
HB
|
A:VAL25
|
4.9
|
11.2
|
1.0
|
|
Chlorine binding site 5 out
of 6 in 7fxw
Go back to
Chlorine Binding Sites List in 7fxw
Chlorine binding site 5 out
of 6 in the Crystal Structure of Human FABP4 in Complex with 5,6-Dichloro-3-(2- Chlorophenyl)-1H-Indole-2-Carboxylic 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 5,6-Dichloro-3-(2- Chlorophenyl)-1H-Indole-2-Carboxylic Acid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:14.4
occ:0.70
|
CL22
|
A:UB8201
|
0.0
|
14.4
|
0.7
|
|
CL22
|
A:UB8201
|
0.1
|
13.2
|
0.3
|
|
C18
|
A:UB8201
|
1.7
|
12.6
|
0.7
|
|
C18
|
A:UB8201
|
1.7
|
12.5
|
0.3
|
|
C11
|
A:UB8201
|
2.7
|
15.3
|
0.3
|
|
C11
|
A:UB8201
|
2.7
|
16.0
|
0.7
|
|
C12
|
A:UB8201
|
2.7
|
10.9
|
0.7
|
|
C12
|
A:UB8201
|
2.8
|
11.3
|
0.3
|
|
H28
|
A:UB8201
|
2.8
|
14.6
|
0.3
|
|
H28
|
A:UB8201
|
2.8
|
14.9
|
0.7
|
|
HH21
|
A:ARG78
|
3.0
|
13.5
|
1.0
|
|
HG21
|
A:VAL25
|
3.1
|
12.3
|
1.0
|
|
HG2
|
A:MET20
|
3.1
|
11.2
|
1.0
|
|
CL19
|
A:UB8201
|
3.2
|
14.1
|
0.7
|
|
CL19
|
A:UB8201
|
3.2
|
13.2
|
0.3
|
|
HG11
|
A:VAL23
|
3.2
|
17.4
|
1.0
|
|
HE2
|
A:TYR19
|
3.4
|
10.7
|
1.0
|
|
OD1
|
A:ASP76
|
3.5
|
15.7
|
1.0
|
|
NH2
|
A:ARG78
|
3.5
|
13.7
|
1.0
|
|
HG23
|
A:VAL25
|
3.6
|
12.8
|
1.0
|
|
HH22
|
A:ARG78
|
3.7
|
13.5
|
1.0
|
|
CG2
|
A:VAL25
|
3.7
|
12.6
|
1.0
|
|
CG
|
A:ASP76
|
3.7
|
15.2
|
1.0
|
|
OD2
|
A:ASP76
|
3.9
|
15.8
|
1.0
|
|
HA
|
A:MET20
|
3.9
|
10.0
|
1.0
|
|
HG22
|
A:VAL25
|
3.9
|
12.4
|
1.0
|
|
HG21
|
A:VAL23
|
3.9
|
14.4
|
1.0
|
|
C5
|
A:UB8201
|
3.9
|
14.1
|
0.7
|
|
C5
|
A:UB8201
|
3.9
|
13.6
|
0.3
|
|
HG12
|
A:VAL23
|
4.0
|
17.5
|
1.0
|
|
CG1
|
A:VAL23
|
4.0
|
19.6
|
1.0
|
|
HB3
|
A:ASP76
|
4.0
|
15.4
|
1.0
|
|
C6
|
A:UB8201
|
4.0
|
11.1
|
0.7
|
|
C6
|
A:UB8201
|
4.0
|
10.9
|
0.3
|
|
HB
|
A:VAL23
|
4.1
|
14.3
|
1.0
|
|
CG
|
A:MET20
|
4.1
|
11.2
|
1.0
|
|
HE
|
A:ARG78
|
4.1
|
14.7
|
1.0
|
|
CE2
|
A:TYR19
|
4.2
|
10.8
|
1.0
|
|
O
|
A:HOH349
|
4.4
|
14.1
|
1.0
|
|
CB
|
A:ASP76
|
4.4
|
15.7
|
1.0
|
|
HZ
|
A:PHE16
|
4.5
|
13.1
|
1.0
|
|
CZ
|
A:ARG78
|
4.5
|
12.2
|
1.0
|
|
CB
|
A:VAL23
|
4.5
|
14.5
|
1.0
|
|
HD2
|
A:TYR19
|
4.5
|
10.9
|
1.0
|
|
HG3
|
A:MET20
|
4.5
|
10.8
|
1.0
|
|
C2
|
A:UB8201
|
4.5
|
12.6
|
0.3
|
|
C2
|
A:UB8201
|
4.5
|
12.0
|
0.7
|
|
CG2
|
A:VAL23
|
4.7
|
15.6
|
1.0
|
|
CA
|
A:MET20
|
4.7
|
10.1
|
1.0
|
|
HB3
|
A:MET20
|
4.7
|
10.4
|
1.0
|
|
NE
|
A:ARG78
|
4.7
|
15.1
|
1.0
|
|
CD2
|
A:TYR19
|
4.8
|
11.7
|
1.0
|
|
HG13
|
A:VAL23
|
4.8
|
18.7
|
1.0
|
|
CB
|
A:MET20
|
4.8
|
10.2
|
1.0
|
|
H25
|
A:UB8201
|
4.8
|
11.7
|
0.7
|
|
H
|
A:ASP76
|
4.9
|
15.0
|
1.0
|
|
H25
|
A:UB8201
|
4.9
|
12.2
|
0.3
|
|
HE1
|
A:PHE16
|
4.9
|
14.2
|
1.0
|
|
HG11
|
A:VAL25
|
4.9
|
11.8
|
1.0
|
|
HB2
|
A:ASP76
|
4.9
|
15.8
|
1.0
|
|
SD
|
A:MET20
|
4.9
|
11.6
|
1.0
|
|
CZ
|
A:PHE16
|
5.0
|
13.6
|
1.0
|
|
Chlorine binding site 6 out
of 6 in 7fxw
Go back to
Chlorine Binding Sites List in 7fxw
Chlorine binding site 6 out
of 6 in the Crystal Structure of Human FABP4 in Complex with 5,6-Dichloro-3-(2- Chlorophenyl)-1H-Indole-2-Carboxylic 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 5,6-Dichloro-3-(2- Chlorophenyl)-1H-Indole-2-Carboxylic Acid within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:13.2
occ:0.30
|
CL22
|
A:UB8201
|
0.0
|
13.2
|
0.3
|
|
CL22
|
A:UB8201
|
0.1
|
14.4
|
0.7
|
|
C18
|
A:UB8201
|
1.7
|
12.6
|
0.7
|
|
C18
|
A:UB8201
|
1.7
|
12.5
|
0.3
|
|
C11
|
A:UB8201
|
2.7
|
15.3
|
0.3
|
|
C11
|
A:UB8201
|
2.7
|
16.0
|
0.7
|
|
C12
|
A:UB8201
|
2.7
|
10.9
|
0.7
|
|
C12
|
A:UB8201
|
2.8
|
11.3
|
0.3
|
|
H28
|
A:UB8201
|
2.8
|
14.6
|
0.3
|
|
H28
|
A:UB8201
|
2.8
|
14.9
|
0.7
|
|
HG2
|
A:MET20
|
3.0
|
11.2
|
1.0
|
|
HG21
|
A:VAL25
|
3.1
|
12.3
|
1.0
|
|
HH21
|
A:ARG78
|
3.1
|
13.5
|
1.0
|
|
CL19
|
A:UB8201
|
3.2
|
14.1
|
0.7
|
|
CL19
|
A:UB8201
|
3.2
|
13.2
|
0.3
|
|
HG11
|
A:VAL23
|
3.3
|
17.4
|
1.0
|
|
HE2
|
A:TYR19
|
3.4
|
10.7
|
1.0
|
|
HG23
|
A:VAL25
|
3.6
|
12.8
|
1.0
|
|
NH2
|
A:ARG78
|
3.6
|
13.7
|
1.0
|
|
OD1
|
A:ASP76
|
3.7
|
15.7
|
1.0
|
|
CG2
|
A:VAL25
|
3.7
|
12.6
|
1.0
|
|
HH22
|
A:ARG78
|
3.7
|
13.5
|
1.0
|
|
HA
|
A:MET20
|
3.8
|
10.0
|
1.0
|
|
CG
|
A:ASP76
|
3.9
|
15.2
|
1.0
|
|
HG21
|
A:VAL23
|
3.9
|
14.4
|
1.0
|
|
HG22
|
A:VAL25
|
3.9
|
12.4
|
1.0
|
|
C5
|
A:UB8201
|
3.9
|
14.1
|
0.7
|
|
C5
|
A:UB8201
|
3.9
|
13.6
|
0.3
|
|
OD2
|
A:ASP76
|
4.0
|
15.8
|
1.0
|
|
CG
|
A:MET20
|
4.0
|
11.2
|
1.0
|
|
C6
|
A:UB8201
|
4.0
|
11.1
|
0.7
|
|
HG12
|
A:VAL23
|
4.0
|
17.5
|
1.0
|
|
CG1
|
A:VAL23
|
4.0
|
19.6
|
1.0
|
|
C6
|
A:UB8201
|
4.0
|
10.9
|
0.3
|
|
HB
|
A:VAL23
|
4.0
|
14.3
|
1.0
|
|
HB3
|
A:ASP76
|
4.1
|
15.4
|
1.0
|
|
CE2
|
A:TYR19
|
4.1
|
10.8
|
1.0
|
|
HE
|
A:ARG78
|
4.2
|
14.7
|
1.0
|
|
HD2
|
A:TYR19
|
4.4
|
10.9
|
1.0
|
|
HZ
|
A:PHE16
|
4.4
|
13.1
|
1.0
|
|
HG3
|
A:MET20
|
4.4
|
10.8
|
1.0
|
|
O
|
A:HOH349
|
4.4
|
14.1
|
1.0
|
|
CB
|
A:VAL23
|
4.5
|
14.5
|
1.0
|
|
C2
|
A:UB8201
|
4.5
|
12.0
|
0.7
|
|
C2
|
A:UB8201
|
4.5
|
12.6
|
0.3
|
|
CB
|
A:ASP76
|
4.5
|
15.7
|
1.0
|
|
CZ
|
A:ARG78
|
4.6
|
12.2
|
1.0
|
|
CG2
|
A:VAL23
|
4.6
|
15.6
|
1.0
|
|
CA
|
A:MET20
|
4.6
|
10.1
|
1.0
|
|
CD2
|
A:TYR19
|
4.6
|
11.7
|
1.0
|
|
HB3
|
A:MET20
|
4.7
|
10.4
|
1.0
|
|
CB
|
A:MET20
|
4.7
|
10.2
|
1.0
|
|
HE1
|
A:PHE16
|
4.8
|
14.2
|
1.0
|
|
HG13
|
A:VAL23
|
4.8
|
18.7
|
1.0
|
|
H25
|
A:UB8201
|
4.8
|
11.7
|
0.7
|
|
NE
|
A:ARG78
|
4.8
|
15.1
|
1.0
|
|
SD
|
A:MET20
|
4.9
|
11.6
|
1.0
|
|
CZ
|
A:PHE16
|
4.9
|
13.6
|
1.0
|
|
H25
|
A:UB8201
|
4.9
|
12.2
|
0.3
|
|
HG11
|
A:VAL25
|
4.9
|
11.8
|
1.0
|
|
H
|
A:ASP76
|
5.0
|
15.0
|
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 21:05:48 2024
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