Chlorine in PDB 3f5p: Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor
Enzymatic activity of Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor
All present enzymatic activity of Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor:
2.7.10.1;
Protein crystallography data
The structure of Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor, PDB code: 3f5p
was solved by
W.Xu,
L.M.Miller,
S.C.Mayer,
D.M.Berger,
D.H.Boschelli,
F.Boschelli,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
19.99 /
2.90
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
137.340,
137.020,
178.990,
90.00,
110.36,
90.00
|
|
R / Rfree (%)
|
21 /
25.8
|
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
16;
Binding sites:
The binding sites of Chlorine atom in the Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor
(pdb code 3f5p). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the
Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor, PDB code: 3f5p:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 16 in 3f5p
Go back to
Chlorine Binding Sites List in 3f5p
Chlorine binding site 1 out
of 16 in the Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1
b:36.5
occ:1.00
|
CL24
|
A:7411
|
0.0
|
36.5
|
1.0
|
|
C22
|
A:7411
|
1.7
|
34.7
|
1.0
|
|
C21
|
A:7411
|
2.7
|
36.6
|
1.0
|
|
C23
|
A:7411
|
2.7
|
30.8
|
1.0
|
|
S25
|
A:7411
|
3.2
|
33.8
|
1.0
|
|
CG
|
A:MET1079
|
3.2
|
27.4
|
1.0
|
|
O
|
A:VAL1077
|
3.4
|
37.7
|
1.0
|
|
CB
|
A:LYS1033
|
3.6
|
35.7
|
1.0
|
|
N
|
A:LYS1033
|
3.6
|
44.8
|
1.0
|
|
O
|
A:ALA1031
|
3.6
|
37.1
|
1.0
|
|
CB
|
A:MET1079
|
3.7
|
27.1
|
1.0
|
|
C20
|
A:7411
|
4.0
|
36.9
|
1.0
|
|
N
|
A:MET1079
|
4.0
|
42.1
|
1.0
|
|
C
|
A:ALA1031
|
4.0
|
39.1
|
1.0
|
|
C18
|
A:7411
|
4.0
|
30.6
|
1.0
|
|
C
|
A:ILE1032
|
4.1
|
40.3
|
1.0
|
|
C
|
A:VAL1077
|
4.1
|
39.6
|
1.0
|
|
CA
|
A:LYS1033
|
4.2
|
41.5
|
1.0
|
|
CA
|
A:ILE1032
|
4.3
|
36.0
|
1.0
|
|
N
|
A:ILE1032
|
4.3
|
44.0
|
1.0
|
|
CB
|
A:VAL1077
|
4.4
|
34.5
|
1.0
|
|
CB
|
A:ALA1031
|
4.4
|
33.3
|
1.0
|
|
CG1
|
A:VAL1077
|
4.5
|
34.4
|
1.0
|
|
C19
|
A:7411
|
4.5
|
33.7
|
1.0
|
|
CA
|
A:MET1079
|
4.5
|
33.8
|
1.0
|
|
C
|
A:ILE1078
|
4.8
|
39.8
|
1.0
|
|
N
|
A:ILE1078
|
4.8
|
38.7
|
1.0
|
|
CD
|
A:LYS1033
|
4.8
|
35.8
|
1.0
|
|
CG
|
A:LYS1033
|
4.8
|
38.2
|
1.0
|
|
O
|
A:ILE1032
|
4.8
|
43.8
|
1.0
|
|
SD
|
A:MET1079
|
4.8
|
28.9
|
1.0
|
|
CA
|
A:VAL1077
|
4.8
|
39.9
|
1.0
|
|
CG1
|
A:VAL1013
|
4.8
|
45.4
|
1.0
|
|
CA
|
A:ILE1078
|
4.9
|
38.0
|
1.0
|
|
C26
|
A:7411
|
4.9
|
28.7
|
1.0
|
|
N33
|
A:7411
|
4.9
|
29.0
|
1.0
|
|
CA
|
A:ALA1031
|
4.9
|
37.1
|
1.0
|
|
C32
|
A:7411
|
4.9
|
25.8
|
1.0
|
|
Chlorine binding site 2 out
of 16 in 3f5p
Go back to
Chlorine Binding Sites List in 3f5p
Chlorine binding site 2 out
of 16 in the Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl2
b:40.7
occ:1.00
|
CL24
|
B:7412
|
0.0
|
40.7
|
1.0
|
|
C22
|
B:7412
|
1.7
|
40.2
|
1.0
|
|
C21
|
B:7412
|
2.7
|
39.6
|
1.0
|
|
C23
|
B:7412
|
2.7
|
39.4
|
1.0
|
|
S25
|
B:7412
|
3.2
|
33.5
|
1.0
|
|
CG
|
B:MET1079
|
3.3
|
36.2
|
1.0
|
|
O
|
B:VAL1077
|
3.3
|
40.7
|
1.0
|
|
O
|
B:ALA1031
|
3.5
|
36.3
|
1.0
|
|
N
|
B:LYS1033
|
3.6
|
40.7
|
1.0
|
|
CB
|
B:MET1079
|
3.6
|
31.3
|
1.0
|
|
CB
|
B:LYS1033
|
3.7
|
38.2
|
1.0
|
|
N
|
B:MET1079
|
3.9
|
39.7
|
1.0
|
|
C
|
B:ALA1031
|
3.9
|
40.4
|
1.0
|
|
C20
|
B:7412
|
4.0
|
39.0
|
1.0
|
|
C18
|
B:7412
|
4.0
|
36.4
|
1.0
|
|
C
|
B:ILE1032
|
4.1
|
46.6
|
1.0
|
|
C
|
B:VAL1077
|
4.2
|
40.0
|
1.0
|
|
N
|
B:ILE1032
|
4.2
|
36.9
|
1.0
|
|
CA
|
B:ILE1032
|
4.2
|
36.5
|
1.0
|
|
CA
|
B:LYS1033
|
4.2
|
39.5
|
1.0
|
|
CB
|
B:ALA1031
|
4.3
|
35.4
|
1.0
|
|
CA
|
B:MET1079
|
4.4
|
33.4
|
1.0
|
|
CG1
|
B:VAL1077
|
4.5
|
41.5
|
1.0
|
|
C19
|
B:7412
|
4.5
|
33.3
|
1.0
|
|
CB
|
B:VAL1077
|
4.5
|
43.2
|
1.0
|
|
N33
|
B:7412
|
4.7
|
35.1
|
1.0
|
|
CA
|
B:ALA1031
|
4.7
|
42.0
|
1.0
|
|
C
|
B:ILE1078
|
4.7
|
39.5
|
1.0
|
|
C32
|
B:7412
|
4.8
|
35.3
|
1.0
|
|
N
|
B:ILE1078
|
4.8
|
38.9
|
1.0
|
|
CA
|
B:ILE1078
|
4.9
|
41.1
|
1.0
|
|
O
|
B:ILE1032
|
4.9
|
47.7
|
1.0
|
|
C26
|
B:7412
|
4.9
|
36.7
|
1.0
|
|
CG
|
B:LYS1033
|
4.9
|
38.7
|
1.0
|
|
CD
|
B:LYS1033
|
4.9
|
38.4
|
1.0
|
|
SD
|
B:MET1079
|
5.0
|
38.0
|
1.0
|
|
Chlorine binding site 3 out
of 16 in 3f5p
Go back to
Chlorine Binding Sites List in 3f5p
Chlorine binding site 3 out
of 16 in the Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl3
b:49.9
occ:1.00
|
CL24
|
C:7413
|
0.0
|
49.9
|
1.0
|
|
C22
|
C:7413
|
1.7
|
38.8
|
1.0
|
|
C21
|
C:7413
|
2.7
|
40.5
|
1.0
|
|
C23
|
C:7413
|
2.7
|
37.0
|
1.0
|
|
S25
|
C:7413
|
3.1
|
34.5
|
1.0
|
|
CG
|
C:MET1079
|
3.2
|
37.1
|
1.0
|
|
O
|
C:VAL1077
|
3.4
|
42.1
|
1.0
|
|
N
|
C:LYS1033
|
3.5
|
41.0
|
1.0
|
|
CB
|
C:LYS1033
|
3.6
|
44.4
|
1.0
|
|
O
|
C:ALA1031
|
3.7
|
46.1
|
1.0
|
|
CB
|
C:MET1079
|
3.8
|
31.9
|
1.0
|
|
C20
|
C:7413
|
4.0
|
43.2
|
1.0
|
|
C
|
C:ILE1032
|
4.0
|
42.5
|
1.0
|
|
C
|
C:ALA1031
|
4.0
|
43.5
|
1.0
|
|
N
|
C:MET1079
|
4.0
|
49.7
|
1.0
|
|
C18
|
C:7413
|
4.0
|
39.3
|
1.0
|
|
CA
|
C:LYS1033
|
4.1
|
45.5
|
1.0
|
|
C
|
C:VAL1077
|
4.1
|
41.5
|
1.0
|
|
CA
|
C:ILE1032
|
4.2
|
41.7
|
1.0
|
|
CB
|
C:ALA1031
|
4.3
|
37.3
|
1.0
|
|
N
|
C:ILE1032
|
4.3
|
43.0
|
1.0
|
|
CB
|
C:VAL1077
|
4.4
|
43.9
|
1.0
|
|
C19
|
C:7413
|
4.5
|
40.4
|
1.0
|
|
CA
|
C:MET1079
|
4.6
|
39.3
|
1.0
|
|
SD
|
C:MET1079
|
4.7
|
44.8
|
1.0
|
|
O
|
C:ILE1032
|
4.7
|
45.9
|
1.0
|
|
N
|
C:ILE1078
|
4.8
|
40.6
|
1.0
|
|
CG1
|
C:VAL1077
|
4.8
|
37.6
|
1.0
|
|
CA
|
C:ALA1031
|
4.8
|
42.8
|
1.0
|
|
CD
|
C:LYS1033
|
4.8
|
47.2
|
1.0
|
|
N33
|
C:7413
|
4.8
|
35.8
|
1.0
|
|
C26
|
C:7413
|
4.8
|
36.6
|
1.0
|
|
CG
|
C:LYS1033
|
4.8
|
45.5
|
1.0
|
|
C
|
C:ILE1078
|
4.9
|
44.0
|
1.0
|
|
CA
|
C:ILE1078
|
4.9
|
40.8
|
1.0
|
|
C32
|
C:7413
|
4.9
|
34.8
|
1.0
|
|
CA
|
C:VAL1077
|
4.9
|
42.0
|
1.0
|
|
Chlorine binding site 4 out
of 16 in 3f5p
Go back to
Chlorine Binding Sites List in 3f5p
Chlorine binding site 4 out
of 16 in the Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl4
b:51.4
occ:1.00
|
CL24
|
D:7414
|
0.0
|
51.4
|
1.0
|
|
C22
|
D:7414
|
1.7
|
44.2
|
1.0
|
|
C21
|
D:7414
|
2.7
|
49.3
|
1.0
|
|
C23
|
D:7414
|
2.7
|
42.0
|
1.0
|
|
S25
|
D:7414
|
3.1
|
41.0
|
1.0
|
|
O
|
D:VAL1077
|
3.3
|
38.9
|
1.0
|
|
CG
|
D:MET1079
|
3.5
|
42.3
|
1.0
|
|
N
|
D:LYS1033
|
3.5
|
46.3
|
1.0
|
|
O
|
D:ALA1031
|
3.6
|
43.5
|
1.0
|
|
CB
|
D:MET1079
|
3.6
|
41.6
|
1.0
|
|
CB
|
D:LYS1033
|
3.8
|
42.0
|
1.0
|
|
N
|
D:MET1079
|
3.9
|
46.9
|
1.0
|
|
C
|
D:ALA1031
|
3.9
|
41.5
|
1.0
|
|
C20
|
D:7414
|
4.0
|
44.5
|
1.0
|
|
C18
|
D:7414
|
4.1
|
43.2
|
1.0
|
|
C
|
D:ILE1032
|
4.1
|
43.3
|
1.0
|
|
C
|
D:VAL1077
|
4.1
|
38.6
|
1.0
|
|
CB
|
D:ALA1031
|
4.2
|
37.4
|
1.0
|
|
CA
|
D:LYS1033
|
4.2
|
44.3
|
1.0
|
|
CA
|
D:ILE1032
|
4.2
|
37.1
|
1.0
|
|
N
|
D:ILE1032
|
4.2
|
38.2
|
1.0
|
|
CA
|
D:MET1079
|
4.4
|
42.6
|
1.0
|
|
C19
|
D:7414
|
4.5
|
41.6
|
1.0
|
|
CB
|
D:VAL1077
|
4.5
|
36.1
|
1.0
|
|
C
|
D:ILE1078
|
4.6
|
45.5
|
1.0
|
|
CA
|
D:ALA1031
|
4.7
|
37.9
|
1.0
|
|
CA
|
D:ILE1078
|
4.7
|
42.0
|
1.0
|
|
N33
|
D:7414
|
4.8
|
34.9
|
1.0
|
|
N
|
D:ILE1078
|
4.8
|
39.5
|
1.0
|
|
C26
|
D:7414
|
4.8
|
41.8
|
1.0
|
|
C32
|
D:7414
|
4.9
|
31.1
|
1.0
|
|
O
|
D:ILE1032
|
4.9
|
43.6
|
1.0
|
|
CG1
|
D:VAL1013
|
4.9
|
45.0
|
1.0
|
|
CG1
|
D:VAL1077
|
4.9
|
40.9
|
1.0
|
|
CA
|
D:VAL1077
|
5.0
|
38.0
|
1.0
|
|
Chlorine binding site 5 out
of 16 in 3f5p
Go back to
Chlorine Binding Sites List in 3f5p
Chlorine binding site 5 out
of 16 in the Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl5
b:55.4
occ:1.00
|
CL24
|
E:7415
|
0.0
|
55.4
|
1.0
|
|
C22
|
E:7415
|
1.7
|
45.4
|
1.0
|
|
C21
|
E:7415
|
2.7
|
48.5
|
1.0
|
|
C23
|
E:7415
|
2.7
|
43.4
|
1.0
|
|
S25
|
E:7415
|
3.1
|
52.5
|
1.0
|
|
CG
|
E:MET1079
|
3.2
|
47.5
|
1.0
|
|
CB
|
E:MET1079
|
3.3
|
44.5
|
1.0
|
|
O
|
E:VAL1077
|
3.4
|
47.5
|
1.0
|
|
N
|
E:LYS1033
|
3.5
|
49.9
|
1.0
|
|
O
|
E:ALA1031
|
3.6
|
50.9
|
1.0
|
|
N
|
E:MET1079
|
3.8
|
48.5
|
1.0
|
|
CB
|
E:LYS1033
|
3.8
|
51.5
|
1.0
|
|
C
|
E:ALA1031
|
3.8
|
50.0
|
1.0
|
|
C20
|
E:7415
|
4.0
|
44.4
|
1.0
|
|
C
|
E:ILE1032
|
4.0
|
55.5
|
1.0
|
|
C18
|
E:7415
|
4.0
|
42.0
|
1.0
|
|
CB
|
E:ALA1031
|
4.1
|
47.8
|
1.0
|
|
N
|
E:ILE1032
|
4.1
|
46.8
|
1.0
|
|
CA
|
E:ILE1032
|
4.1
|
52.3
|
1.0
|
|
C
|
E:VAL1077
|
4.2
|
47.0
|
1.0
|
|
CA
|
E:MET1079
|
4.2
|
47.5
|
1.0
|
|
CA
|
E:LYS1033
|
4.3
|
54.1
|
1.0
|
|
CB
|
E:VAL1077
|
4.4
|
43.7
|
1.0
|
|
C19
|
E:7415
|
4.5
|
40.7
|
1.0
|
|
CA
|
E:ALA1031
|
4.6
|
54.2
|
1.0
|
|
C
|
E:ILE1078
|
4.6
|
48.0
|
1.0
|
|
N33
|
E:7415
|
4.6
|
42.3
|
1.0
|
|
CG1
|
E:VAL1077
|
4.7
|
48.6
|
1.0
|
|
CA
|
E:ILE1078
|
4.8
|
50.5
|
1.0
|
|
N
|
E:ILE1078
|
4.8
|
48.5
|
1.0
|
|
C26
|
E:7415
|
4.8
|
48.3
|
1.0
|
|
C32
|
E:7415
|
4.8
|
41.2
|
1.0
|
|
O
|
E:ILE1032
|
4.9
|
60.2
|
1.0
|
|
CG1
|
E:VAL1013
|
4.9
|
50.5
|
1.0
|
|
SD
|
E:MET1079
|
4.9
|
42.0
|
1.0
|
|
CA
|
E:VAL1077
|
5.0
|
45.4
|
1.0
|
|
Chlorine binding site 6 out
of 16 in 3f5p
Go back to
Chlorine Binding Sites List in 3f5p
Chlorine binding site 6 out
of 16 in the Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cl6
b:51.1
occ:1.00
|
CL24
|
F:7416
|
0.0
|
51.1
|
1.0
|
|
C22
|
F:7416
|
1.7
|
45.1
|
1.0
|
|
C21
|
F:7416
|
2.7
|
46.8
|
1.0
|
|
C23
|
F:7416
|
2.7
|
39.9
|
1.0
|
|
S25
|
F:7416
|
3.1
|
46.3
|
1.0
|
|
O
|
F:VAL1077
|
3.3
|
44.6
|
1.0
|
|
N
|
F:LYS1033
|
3.4
|
49.8
|
1.0
|
|
CG
|
F:MET1079
|
3.4
|
44.7
|
1.0
|
|
CB
|
F:LYS1033
|
3.6
|
48.9
|
1.0
|
|
O
|
F:ALA1031
|
3.6
|
47.1
|
1.0
|
|
CB
|
F:MET1079
|
3.8
|
39.5
|
1.0
|
|
C
|
F:ALA1031
|
3.8
|
44.9
|
1.0
|
|
C
|
F:ILE1032
|
3.9
|
51.4
|
1.0
|
|
C20
|
F:7416
|
4.0
|
44.3
|
1.0
|
|
CA
|
F:ILE1032
|
4.0
|
48.3
|
1.0
|
|
N
|
F:MET1079
|
4.0
|
49.4
|
1.0
|
|
N
|
F:ILE1032
|
4.0
|
50.4
|
1.0
|
|
CA
|
F:LYS1033
|
4.1
|
49.7
|
1.0
|
|
C18
|
F:7416
|
4.1
|
38.3
|
1.0
|
|
C
|
F:VAL1077
|
4.1
|
47.6
|
1.0
|
|
CB
|
F:ALA1031
|
4.2
|
42.8
|
1.0
|
|
CB
|
F:VAL1077
|
4.2
|
49.6
|
1.0
|
|
CG1
|
F:VAL1077
|
4.3
|
51.8
|
1.0
|
|
C19
|
F:7416
|
4.5
|
41.1
|
1.0
|
|
CA
|
F:MET1079
|
4.6
|
44.2
|
1.0
|
|
CA
|
F:ALA1031
|
4.7
|
44.1
|
1.0
|
|
CG1
|
F:VAL1013
|
4.7
|
46.1
|
1.0
|
|
N33
|
F:7416
|
4.7
|
43.0
|
1.0
|
|
C
|
F:ILE1078
|
4.7
|
47.1
|
1.0
|
|
O
|
F:ILE1032
|
4.7
|
53.7
|
1.0
|
|
CA
|
F:VAL1077
|
4.8
|
47.1
|
1.0
|
|
N
|
F:ILE1078
|
4.8
|
48.0
|
1.0
|
|
CD
|
F:LYS1033
|
4.8
|
53.1
|
1.0
|
|
CG
|
F:LYS1033
|
4.8
|
47.2
|
1.0
|
|
CA
|
F:ILE1078
|
4.9
|
47.4
|
1.0
|
|
C26
|
F:7416
|
4.9
|
51.8
|
1.0
|
|
C32
|
F:7416
|
4.9
|
40.8
|
1.0
|
|
Chlorine binding site 7 out
of 16 in 3f5p
Go back to
Chlorine Binding Sites List in 3f5p
Chlorine binding site 7 out
of 16 in the Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Cl7
b:43.0
occ:1.00
|
CL24
|
G:7417
|
0.0
|
43.0
|
1.0
|
|
C22
|
G:7417
|
1.7
|
37.4
|
1.0
|
|
C21
|
G:7417
|
2.7
|
44.1
|
1.0
|
|
C23
|
G:7417
|
2.8
|
36.3
|
1.0
|
|
S25
|
G:7417
|
3.1
|
43.8
|
1.0
|
|
O
|
G:VAL1077
|
3.1
|
38.8
|
1.0
|
|
N
|
G:LYS1033
|
3.1
|
41.4
|
1.0
|
|
CG
|
G:MET1079
|
3.3
|
38.8
|
1.0
|
|
CB
|
G:LYS1033
|
3.4
|
37.0
|
1.0
|
|
C
|
G:ILE1032
|
3.7
|
45.6
|
1.0
|
|
O
|
G:ALA1031
|
3.7
|
38.6
|
1.0
|
|
CA
|
G:LYS1033
|
3.8
|
39.3
|
1.0
|
|
CB
|
G:MET1079
|
3.8
|
35.1
|
1.0
|
|
C20
|
G:7417
|
4.0
|
46.7
|
1.0
|
|
C
|
G:VAL1077
|
4.0
|
37.2
|
1.0
|
|
C
|
G:ALA1031
|
4.0
|
39.0
|
1.0
|
|
CA
|
G:ILE1032
|
4.0
|
41.3
|
1.0
|
|
C18
|
G:7417
|
4.0
|
36.5
|
1.0
|
|
N
|
G:MET1079
|
4.2
|
40.2
|
1.0
|
|
N
|
G:ILE1032
|
4.2
|
39.0
|
1.0
|
|
CB
|
G:VAL1077
|
4.3
|
40.0
|
1.0
|
|
C19
|
G:7417
|
4.5
|
37.9
|
1.0
|
|
CB
|
G:ALA1031
|
4.5
|
36.3
|
1.0
|
|
O
|
G:ILE1032
|
4.5
|
42.4
|
1.0
|
|
CG1
|
G:VAL1077
|
4.5
|
38.7
|
1.0
|
|
CA
|
G:MET1079
|
4.7
|
36.6
|
1.0
|
|
CG
|
G:LYS1033
|
4.7
|
40.5
|
1.0
|
|
CA
|
G:VAL1077
|
4.8
|
40.4
|
1.0
|
|
CG1
|
G:VAL1013
|
4.8
|
37.6
|
1.0
|
|
N
|
G:ILE1078
|
4.8
|
34.8
|
1.0
|
|
C26
|
G:7417
|
4.8
|
45.7
|
1.0
|
|
C
|
G:ILE1078
|
4.9
|
39.7
|
1.0
|
|
SD
|
G:MET1079
|
4.9
|
35.2
|
1.0
|
|
CA
|
G:ALA1031
|
4.9
|
38.7
|
1.0
|
|
CA
|
G:ILE1078
|
5.0
|
37.2
|
1.0
|
|
Chlorine binding site 8 out
of 16 in 3f5p
Go back to
Chlorine Binding Sites List in 3f5p
Chlorine binding site 8 out
of 16 in the Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Cl8
b:54.5
occ:1.00
|
CL24
|
H:7418
|
0.0
|
54.5
|
1.0
|
|
C22
|
H:7418
|
1.7
|
46.0
|
1.0
|
|
C21
|
H:7418
|
2.7
|
46.5
|
1.0
|
|
C23
|
H:7418
|
2.7
|
43.2
|
1.0
|
|
CG
|
H:MET1079
|
3.1
|
45.2
|
1.0
|
|
S25
|
H:7418
|
3.2
|
51.3
|
1.0
|
|
O
|
H:VAL1077
|
3.2
|
49.1
|
1.0
|
|
CB
|
H:MET1079
|
3.5
|
44.8
|
1.0
|
|
O
|
H:ALA1031
|
3.6
|
45.2
|
1.0
|
|
N
|
H:LYS1033
|
3.6
|
45.5
|
1.0
|
|
CB
|
H:LYS1033
|
3.7
|
40.0
|
1.0
|
|
N
|
H:MET1079
|
3.8
|
49.9
|
1.0
|
|
C
|
H:VAL1077
|
4.0
|
49.1
|
1.0
|
|
C
|
H:ALA1031
|
4.0
|
42.2
|
1.0
|
|
C20
|
H:7418
|
4.0
|
46.3
|
1.0
|
|
C18
|
H:7418
|
4.0
|
45.1
|
1.0
|
|
C
|
H:ILE1032
|
4.0
|
47.0
|
1.0
|
|
CA
|
H:ILE1032
|
4.2
|
42.0
|
1.0
|
|
CA
|
H:MET1079
|
4.3
|
44.6
|
1.0
|
|
CA
|
H:LYS1033
|
4.3
|
49.1
|
1.0
|
|
N
|
H:ILE1032
|
4.3
|
39.9
|
1.0
|
|
CB
|
H:VAL1077
|
4.4
|
50.0
|
1.0
|
|
CB
|
H:ALA1031
|
4.4
|
43.6
|
1.0
|
|
C19
|
H:7418
|
4.5
|
46.1
|
1.0
|
|
C
|
H:ILE1078
|
4.6
|
49.8
|
1.0
|
|
CG1
|
H:VAL1077
|
4.6
|
48.7
|
1.0
|
|
N
|
H:ILE1078
|
4.7
|
48.0
|
1.0
|
|
N33
|
H:7418
|
4.7
|
40.5
|
1.0
|
|
SD
|
H:MET1079
|
4.7
|
40.9
|
1.0
|
|
CA
|
H:VAL1077
|
4.8
|
50.9
|
1.0
|
|
CA
|
H:ILE1078
|
4.8
|
49.4
|
1.0
|
|
C32
|
H:7418
|
4.8
|
44.5
|
1.0
|
|
O
|
H:ILE1032
|
4.8
|
47.0
|
1.0
|
|
CG1
|
H:VAL1013
|
4.9
|
48.0
|
1.0
|
|
CA
|
H:ALA1031
|
4.9
|
42.8
|
1.0
|
|
CD
|
H:LYS1033
|
4.9
|
52.4
|
1.0
|
|
CG
|
H:LYS1033
|
4.9
|
45.3
|
1.0
|
|
C26
|
H:7418
|
4.9
|
51.4
|
1.0
|
|
Chlorine binding site 9 out
of 16 in 3f5p
Go back to
Chlorine Binding Sites List in 3f5p
Chlorine binding site 9 out
of 16 in the Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Cl9
b:21.2
occ:1.00
|
CL24
|
I:7419
|
0.0
|
21.2
|
1.0
|
|
C22
|
I:7419
|
1.7
|
19.2
|
1.0
|
|
C21
|
I:7419
|
2.7
|
22.0
|
1.0
|
|
C23
|
I:7419
|
2.7
|
17.6
|
1.0
|
|
O
|
I:VAL1077
|
3.1
|
23.6
|
1.0
|
|
S25
|
I:7419
|
3.1
|
24.2
|
1.0
|
|
CG
|
I:MET1079
|
3.3
|
20.9
|
1.0
|
|
N
|
I:LYS1033
|
3.4
|
21.1
|
1.0
|
|
CB
|
I:LYS1033
|
3.4
|
19.2
|
1.0
|
|
CB
|
I:MET1079
|
3.7
|
18.4
|
1.0
|
|
O
|
I:ALA1031
|
3.8
|
20.6
|
1.0
|
|
N
|
I:MET1079
|
3.9
|
24.3
|
1.0
|
|
C
|
I:ILE1032
|
4.0
|
19.4
|
1.0
|
|
CA
|
I:LYS1033
|
4.0
|
19.7
|
1.0
|
|
C20
|
I:7419
|
4.0
|
23.1
|
1.0
|
|
C
|
I:VAL1077
|
4.0
|
24.5
|
1.0
|
|
C18
|
I:7419
|
4.0
|
18.1
|
1.0
|
|
C
|
I:ALA1031
|
4.1
|
22.1
|
1.0
|
|
CA
|
I:ILE1032
|
4.2
|
16.7
|
1.0
|
|
N
|
I:ILE1032
|
4.3
|
17.6
|
1.0
|
|
CG1
|
I:VAL1077
|
4.4
|
23.5
|
1.0
|
|
CB
|
I:VAL1077
|
4.4
|
23.7
|
1.0
|
|
CA
|
I:MET1079
|
4.4
|
21.6
|
1.0
|
|
CB
|
I:ALA1031
|
4.4
|
20.7
|
1.0
|
|
C19
|
I:7419
|
4.5
|
20.6
|
1.0
|
|
CG
|
I:LYS1033
|
4.6
|
19.2
|
1.0
|
|
N33
|
I:7419
|
4.6
|
22.0
|
1.0
|
|
C
|
I:ILE1078
|
4.7
|
21.0
|
1.0
|
|
CD
|
I:LYS1033
|
4.7
|
23.8
|
1.0
|
|
O
|
I:ILE1032
|
4.8
|
18.7
|
1.0
|
|
N
|
I:ILE1078
|
4.8
|
24.6
|
1.0
|
|
C32
|
I:7419
|
4.8
|
23.2
|
1.0
|
|
CA
|
I:VAL1077
|
4.8
|
24.4
|
1.0
|
|
CA
|
I:ILE1078
|
4.9
|
22.7
|
1.0
|
|
C26
|
I:7419
|
4.9
|
26.9
|
1.0
|
|
CA
|
I:ALA1031
|
4.9
|
20.4
|
1.0
|
|
SD
|
I:MET1079
|
5.0
|
25.3
|
1.0
|
|
Chlorine binding site 10 out
of 16 in 3f5p
Go back to
Chlorine Binding Sites List in 3f5p
Chlorine binding site 10 out
of 16 in the Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of Complex Structure of Insulin-Like Growth Factor Receptor and 3- Cyanoquinoline Inhibitor within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Cl10
b:34.7
occ:1.00
|
CL24
|
J:74110
|
0.0
|
34.7
|
1.0
|
|
C22
|
J:74110
|
1.7
|
29.1
|
1.0
|
|
C21
|
J:74110
|
2.7
|
31.5
|
1.0
|
|
C23
|
J:74110
|
2.7
|
27.8
|
1.0
|
|
O
|
J:VAL1077
|
3.2
|
29.9
|
1.0
|
|
S25
|
J:74110
|
3.2
|
26.0
|
1.0
|
|
CG
|
J:MET1079
|
3.3
|
28.9
|
1.0
|
|
O
|
J:ALA1031
|
3.4
|
33.1
|
1.0
|
|
N
|
J:LYS1033
|
3.4
|
25.9
|
1.0
|
|
CB
|
J:LYS1033
|
3.6
|
27.2
|
1.0
|
|
CB
|
J:MET1079
|
3.7
|
29.0
|
1.0
|
|
C
|
J:ALA1031
|
3.7
|
29.9
|
1.0
|
|
C
|
J:ILE1032
|
3.9
|
31.8
|
1.0
|
|
N
|
J:MET1079
|
3.9
|
37.9
|
1.0
|
|
CA
|
J:ILE1032
|
4.0
|
27.7
|
1.0
|
|
N
|
J:ILE1032
|
4.0
|
27.0
|
1.0
|
|
C20
|
J:74110
|
4.0
|
32.6
|
1.0
|
|
C18
|
J:74110
|
4.0
|
31.6
|
1.0
|
|
C
|
J:VAL1077
|
4.1
|
29.8
|
1.0
|
|
CA
|
J:LYS1033
|
4.1
|
25.5
|
1.0
|
|
CB
|
J:ALA1031
|
4.2
|
25.5
|
1.0
|
|
CA
|
J:MET1079
|
4.5
|
34.8
|
1.0
|
|
CG1
|
J:VAL1077
|
4.5
|
28.4
|
1.0
|
|
C19
|
J:74110
|
4.5
|
31.5
|
1.0
|
|
CA
|
J:ALA1031
|
4.6
|
25.3
|
1.0
|
|
CB
|
J:VAL1077
|
4.6
|
35.0
|
1.0
|
|
C
|
J:ILE1078
|
4.7
|
32.8
|
1.0
|
|
O
|
J:ILE1032
|
4.8
|
34.2
|
1.0
|
|
N33
|
J:74110
|
4.8
|
30.1
|
1.0
|
|
CA
|
J:ILE1078
|
4.8
|
33.9
|
1.0
|
|
N
|
J:ILE1078
|
4.8
|
34.5
|
1.0
|
|
C32
|
J:74110
|
4.9
|
27.4
|
1.0
|
|
CG
|
J:LYS1033
|
4.9
|
27.5
|
1.0
|
|
C26
|
J:74110
|
4.9
|
32.4
|
1.0
|
|
CG1
|
J:VAL1013
|
4.9
|
30.3
|
1.0
|
|
CD
|
J:LYS1033
|
4.9
|
29.1
|
1.0
|
|
CA
|
J:VAL1077
|
5.0
|
31.9
|
1.0
|
|
Reference:
L.M.Miller,
S.C.Mayer,
D.M.Berger,
D.H.Boschelli,
F.Boschelli,
L.Di,
X.Du,
M.Dutia,
M.B.Floyd,
M.Johnson,
C.H.Kenny,
G.Krishnamurthy,
F.Moy,
S.Petusky,
D.Tkach,
N.Torres,
B.Wu,
W.Xu.
Lead Identification to Generate 3-Cyanoquinoline Inhibitors of Insulin-Like Growth Factor Receptor (Igf-1R) For Potential Use in Cancer Treatment Bioorg.Med.Chem.Lett. V. 19 62 2009.
ISSN: ISSN 0960-894X
PubMed: 19041240
DOI: 10.1016/J.BMCL.2008.11.037
Page generated: Sat Jul 20 19:08:44 2024
|
