Fluorine in PDB 7sa0: Crystal Structure of CDK2 Liganded with Compound EF4195
Enzymatic activity of Crystal Structure of CDK2 Liganded with Compound EF4195
All present enzymatic activity of Crystal Structure of CDK2 Liganded with Compound EF4195:
2.7.11.22;
Protein crystallography data
The structure of Crystal Structure of CDK2 Liganded with Compound EF4195, PDB code: 7sa0
was solved by
L.Sun,
E.Schonbrunn,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
37.15 /
1.59
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
54.034,
72.156,
72.517,
90,
90,
90
|
|
R / Rfree (%)
|
19.5 /
21.9
|
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of CDK2 Liganded with Compound EF4195
(pdb code 7sa0). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the
Crystal Structure of CDK2 Liganded with Compound EF4195, PDB code: 7sa0:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
Fluorine binding site 1 out
of 6 in 7sa0
Go back to
Fluorine Binding Sites List in 7sa0
Fluorine binding site 1 out
of 6 in the Crystal Structure of CDK2 Liganded with Compound EF4195
 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 CDK2 Liganded with Compound EF4195 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F305
b:37.4
occ:1.00
|
F01
|
A:8KQ305
|
0.0
|
37.4
|
1.0
|
|
C02
|
A:8KQ305
|
1.4
|
38.7
|
1.0
|
|
F26
|
A:8KQ305
|
2.2
|
37.5
|
1.0
|
|
F27
|
A:8KQ305
|
2.2
|
37.4
|
1.0
|
|
C03
|
A:8KQ305
|
2.3
|
26.7
|
1.0
|
|
HE3
|
A:LYS33
|
2.4
|
50.9
|
1.0
|
|
H251
|
A:8KQ305
|
2.9
|
35.6
|
1.0
|
|
C25
|
A:8KQ305
|
2.9
|
29.7
|
1.0
|
|
HB2
|
A:LYS33
|
3.2
|
42.1
|
1.0
|
|
HE2
|
A:PHE80
|
3.2
|
39.0
|
1.0
|
|
HG21
|
A:VAL18
|
3.2
|
36.8
|
1.0
|
|
HD2
|
A:PHE80
|
3.2
|
34.6
|
1.0
|
|
HG11
|
A:VAL18
|
3.3
|
38.1
|
1.0
|
|
CE
|
A:LYS33
|
3.3
|
42.4
|
1.0
|
|
C04
|
A:8KQ305
|
3.4
|
31.2
|
1.0
|
|
CE2
|
A:PHE80
|
3.4
|
32.5
|
1.0
|
|
CD2
|
A:PHE80
|
3.4
|
28.9
|
1.0
|
|
HG22
|
A:VAL18
|
3.5
|
36.8
|
1.0
|
|
HE2
|
A:LYS33
|
3.6
|
50.9
|
1.0
|
|
H041
|
A:8KQ305
|
3.6
|
37.4
|
1.0
|
|
HG13
|
A:VAL18
|
3.7
|
38.1
|
1.0
|
|
HZ1
|
A:LYS33
|
3.7
|
48.4
|
1.0
|
|
CG2
|
A:VAL18
|
3.8
|
30.7
|
1.0
|
|
CG1
|
A:VAL18
|
3.9
|
31.7
|
1.0
|
|
NZ
|
A:LYS33
|
4.1
|
40.3
|
1.0
|
|
CB
|
A:LYS33
|
4.1
|
35.1
|
1.0
|
|
O
|
A:HOH410
|
4.1
|
32.3
|
1.0
|
|
C21
|
A:8KQ305
|
4.2
|
27.1
|
1.0
|
|
HD2
|
A:LYS33
|
4.3
|
47.4
|
1.0
|
|
CD
|
A:LYS33
|
4.3
|
39.5
|
1.0
|
|
CZ
|
A:PHE80
|
4.4
|
25.8
|
1.0
|
|
HB1
|
A:ALA31
|
4.4
|
31.0
|
1.0
|
|
CG
|
A:PHE80
|
4.4
|
25.7
|
1.0
|
|
HZ2
|
A:LYS33
|
4.5
|
48.4
|
1.0
|
|
HB3
|
A:LYS33
|
4.5
|
42.1
|
1.0
|
|
CB
|
A:VAL18
|
4.5
|
31.9
|
1.0
|
|
HG3
|
A:LYS33
|
4.5
|
43.4
|
1.0
|
|
C05
|
A:8KQ305
|
4.5
|
34.9
|
1.0
|
|
CG
|
A:LYS33
|
4.6
|
36.1
|
1.0
|
|
HG23
|
A:VAL18
|
4.6
|
36.8
|
1.0
|
|
HA
|
A:ASP145
|
4.6
|
26.9
|
1.0
|
|
H
|
A:ASP145
|
4.6
|
28.4
|
1.0
|
|
HB2
|
A:PHE80
|
4.6
|
32.5
|
1.0
|
|
HZ
|
A:PHE80
|
4.7
|
30.9
|
1.0
|
|
HG12
|
A:VAL18
|
4.7
|
38.1
|
1.0
|
|
HB2
|
A:ASP145
|
4.7
|
28.6
|
1.0
|
|
HZ3
|
A:LYS33
|
4.8
|
48.4
|
1.0
|
|
HB3
|
A:ALA31
|
4.8
|
31.0
|
1.0
|
|
C06
|
A:8KQ305
|
4.9
|
28.9
|
1.0
|
|
HB1
|
A:ALA144
|
5.0
|
26.3
|
1.0
|
|
Fluorine binding site 2 out
of 6 in 7sa0
Go back to
Fluorine Binding Sites List in 7sa0
Fluorine binding site 2 out
of 6 in the Crystal Structure of CDK2 Liganded with Compound EF4195
 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 CDK2 Liganded with Compound EF4195 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F305
b:37.5
occ:1.00
|
F26
|
A:8KQ305
|
0.0
|
37.5
|
1.0
|
|
C02
|
A:8KQ305
|
1.4
|
38.7
|
1.0
|
|
F01
|
A:8KQ305
|
2.2
|
37.4
|
1.0
|
|
F27
|
A:8KQ305
|
2.3
|
37.4
|
1.0
|
|
C03
|
A:8KQ305
|
2.4
|
26.7
|
1.0
|
|
O
|
A:HOH410
|
2.5
|
32.3
|
1.0
|
|
H251
|
A:8KQ305
|
2.6
|
35.6
|
1.0
|
|
H
|
A:ASP145
|
2.6
|
28.4
|
1.0
|
|
C25
|
A:8KQ305
|
2.8
|
29.7
|
1.0
|
|
HB1
|
A:ALA144
|
2.8
|
26.3
|
1.0
|
|
N
|
A:ASP145
|
3.2
|
23.7
|
1.0
|
|
HB2
|
A:ASP145
|
3.3
|
28.6
|
1.0
|
|
HA
|
A:ASP145
|
3.3
|
26.9
|
1.0
|
|
C04
|
A:8KQ305
|
3.5
|
31.2
|
1.0
|
|
HE3
|
A:LYS33
|
3.6
|
50.9
|
1.0
|
|
CA
|
A:ASP145
|
3.7
|
22.4
|
1.0
|
|
CB
|
A:ALA144
|
3.7
|
21.9
|
1.0
|
|
HZ1
|
A:LYS33
|
3.7
|
48.4
|
1.0
|
|
H041
|
A:8KQ305
|
3.8
|
37.4
|
1.0
|
|
HB3
|
A:ALA144
|
3.8
|
26.3
|
1.0
|
|
CB
|
A:ASP145
|
4.0
|
23.8
|
1.0
|
|
CE2
|
A:PHE80
|
4.0
|
32.5
|
1.0
|
|
CD2
|
A:PHE80
|
4.1
|
28.9
|
1.0
|
|
HG11
|
A:VAL64
|
4.1
|
32.5
|
1.0
|
|
C21
|
A:8KQ305
|
4.1
|
27.1
|
1.0
|
|
HE2
|
A:PHE80
|
4.2
|
39.0
|
1.0
|
|
C
|
A:ALA144
|
4.2
|
26.8
|
1.0
|
|
HB3
|
A:ASN132
|
4.3
|
42.5
|
1.0
|
|
HD2
|
A:PHE80
|
4.3
|
34.6
|
1.0
|
|
CZ
|
A:PHE80
|
4.4
|
25.8
|
1.0
|
|
HB2
|
A:ALA144
|
4.4
|
26.3
|
1.0
|
|
CA
|
A:ALA144
|
4.4
|
22.2
|
1.0
|
|
NZ
|
A:LYS33
|
4.4
|
40.3
|
1.0
|
|
CE
|
A:LYS33
|
4.4
|
42.4
|
1.0
|
|
HA
|
A:ALA144
|
4.4
|
26.6
|
1.0
|
|
O23
|
A:8KQ306
|
4.4
|
28.0
|
1.0
|
|
HD11
|
A:LEU134
|
4.5
|
32.2
|
1.0
|
|
CG
|
A:PHE80
|
4.5
|
25.7
|
1.0
|
|
OD2
|
A:ASP145
|
4.6
|
34.5
|
1.0
|
|
C05
|
A:8KQ305
|
4.6
|
34.9
|
1.0
|
|
O24
|
A:8KQ306
|
4.7
|
32.6
|
1.0
|
|
HZ2
|
A:LYS33
|
4.7
|
48.4
|
1.0
|
|
HZ
|
A:PHE80
|
4.7
|
30.9
|
1.0
|
|
CG
|
A:ASP145
|
4.7
|
36.6
|
1.0
|
|
HB3
|
A:ASP145
|
4.8
|
28.6
|
1.0
|
|
HG21
|
A:VAL18
|
4.8
|
36.8
|
1.0
|
|
CE1
|
A:PHE80
|
4.8
|
26.7
|
1.0
|
|
HG21
|
A:VAL64
|
4.8
|
31.0
|
1.0
|
|
O23
|
A:8KQ305
|
4.8
|
29.7
|
1.0
|
|
HE2
|
A:LYS33
|
4.8
|
50.9
|
1.0
|
|
CD1
|
A:PHE80
|
4.8
|
24.9
|
1.0
|
|
C06
|
A:8KQ305
|
4.9
|
28.9
|
1.0
|
|
HG11
|
A:VAL18
|
4.9
|
38.1
|
1.0
|
|
C22
|
A:8KQ306
|
5.0
|
32.4
|
1.0
|
|
Fluorine binding site 3 out
of 6 in 7sa0
Go back to
Fluorine Binding Sites List in 7sa0
Fluorine binding site 3 out
of 6 in the Crystal Structure of CDK2 Liganded with Compound EF4195
 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 CDK2 Liganded with Compound EF4195 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F305
b:37.4
occ:1.00
|
F27
|
A:8KQ305
|
0.0
|
37.4
|
1.0
|
|
C02
|
A:8KQ305
|
1.4
|
38.7
|
1.0
|
|
F01
|
A:8KQ305
|
2.2
|
37.4
|
1.0
|
|
F26
|
A:8KQ305
|
2.3
|
37.5
|
1.0
|
|
C03
|
A:8KQ305
|
2.3
|
26.7
|
1.0
|
|
H041
|
A:8KQ305
|
2.3
|
37.4
|
1.0
|
|
C04
|
A:8KQ305
|
2.7
|
31.2
|
1.0
|
|
HB2
|
A:ASP145
|
2.8
|
28.6
|
1.0
|
|
HE3
|
A:LYS33
|
2.9
|
50.9
|
1.0
|
|
HZ1
|
A:LYS33
|
2.9
|
48.4
|
1.0
|
|
HG21
|
A:VAL18
|
3.0
|
36.8
|
1.0
|
|
OD2
|
A:ASP145
|
3.3
|
34.5
|
1.0
|
|
HA
|
A:ASP145
|
3.4
|
26.9
|
1.0
|
|
HE2
|
A:LYS33
|
3.4
|
50.9
|
1.0
|
|
CB
|
A:ASP145
|
3.4
|
23.8
|
1.0
|
|
CE
|
A:LYS33
|
3.5
|
42.4
|
1.0
|
|
CG
|
A:ASP145
|
3.5
|
36.6
|
1.0
|
|
NZ
|
A:LYS33
|
3.6
|
40.3
|
1.0
|
|
C25
|
A:8KQ305
|
3.6
|
29.7
|
1.0
|
|
CA
|
A:ASP145
|
3.8
|
22.4
|
1.0
|
|
HB3
|
A:ASN132
|
3.8
|
42.5
|
1.0
|
|
CG2
|
A:VAL18
|
3.9
|
30.7
|
1.0
|
|
HD21
|
A:ASN132
|
3.9
|
52.8
|
1.0
|
|
H
|
A:ASP145
|
3.9
|
28.4
|
1.0
|
|
H251
|
A:8KQ305
|
4.0
|
35.6
|
1.0
|
|
HG11
|
A:VAL18
|
4.0
|
38.1
|
1.0
|
|
ND2
|
A:ASN132
|
4.0
|
44.0
|
1.0
|
|
HZ3
|
A:LYS33
|
4.0
|
48.4
|
1.0
|
|
HG22
|
A:VAL18
|
4.0
|
36.8
|
1.0
|
|
C05
|
A:8KQ305
|
4.1
|
34.9
|
1.0
|
|
N
|
A:ASP145
|
4.2
|
23.7
|
1.0
|
|
HZ2
|
A:LYS33
|
4.2
|
48.4
|
1.0
|
|
HD22
|
A:ASN132
|
4.3
|
52.8
|
1.0
|
|
CG
|
A:ASN132
|
4.3
|
44.3
|
1.0
|
|
HB3
|
A:ASP145
|
4.3
|
28.6
|
1.0
|
|
HG23
|
A:VAL18
|
4.3
|
36.8
|
1.0
|
|
OD1
|
A:ASP145
|
4.3
|
37.0
|
1.0
|
|
O
|
A:HOH410
|
4.4
|
32.3
|
1.0
|
|
CB
|
A:ASN132
|
4.5
|
35.5
|
1.0
|
|
HB1
|
A:ALA144
|
4.6
|
26.3
|
1.0
|
|
HB2
|
A:ASN132
|
4.7
|
42.5
|
1.0
|
|
H051
|
A:8KQ305
|
4.7
|
41.8
|
1.0
|
|
C21
|
A:8KQ305
|
4.7
|
27.1
|
1.0
|
|
CG1
|
A:VAL18
|
4.8
|
31.7
|
1.0
|
|
HB2
|
A:LYS33
|
4.8
|
42.1
|
1.0
|
|
CB
|
A:VAL18
|
4.9
|
31.9
|
1.0
|
|
CD
|
A:LYS33
|
4.9
|
39.5
|
1.0
|
|
C06
|
A:8KQ305
|
4.9
|
28.9
|
1.0
|
|
OD1
|
A:ASN132
|
5.0
|
35.7
|
1.0
|
|
HG13
|
A:VAL18
|
5.0
|
38.1
|
1.0
|
|
HE2
|
A:PHE80
|
5.0
|
39.0
|
1.0
|
|
Fluorine binding site 4 out
of 6 in 7sa0
Go back to
Fluorine Binding Sites List in 7sa0
Fluorine binding site 4 out
of 6 in the Crystal Structure of CDK2 Liganded with Compound EF4195
 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 CDK2 Liganded with Compound EF4195 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F306
b:45.2
occ:1.00
|
F01
|
A:8KQ306
|
0.0
|
45.2
|
1.0
|
|
C02
|
A:8KQ306
|
1.4
|
39.1
|
1.0
|
|
F26
|
A:8KQ306
|
2.2
|
34.7
|
1.0
|
|
F27
|
A:8KQ306
|
2.2
|
39.0
|
1.0
|
|
C03
|
A:8KQ306
|
2.4
|
33.3
|
1.0
|
|
H251
|
A:8KQ306
|
2.4
|
34.3
|
1.0
|
|
C25
|
A:8KQ306
|
2.8
|
28.6
|
1.0
|
|
HB2
|
A:ALA149
|
2.9
|
59.0
|
1.0
|
|
HA
|
A:ALA149
|
3.1
|
52.8
|
1.0
|
|
HE1
|
A:TYR15
|
3.4
|
55.0
|
1.0
|
|
HD1
|
A:TYR15
|
3.5
|
68.3
|
1.0
|
|
HD13
|
A:ILE35
|
3.5
|
56.1
|
1.0
|
|
N
|
A:ALA149
|
3.5
|
39.6
|
1.0
|
|
H
|
A:ALA149
|
3.5
|
47.5
|
1.0
|
|
CA
|
A:ALA149
|
3.5
|
44.0
|
1.0
|
|
CB
|
A:ALA149
|
3.6
|
49.2
|
1.0
|
|
HD11
|
A:LEU78
|
3.6
|
38.1
|
1.0
|
|
C04
|
A:8KQ306
|
3.7
|
34.0
|
1.0
|
|
CE1
|
A:TYR15
|
3.8
|
45.9
|
1.0
|
|
CD1
|
A:TYR15
|
3.9
|
56.9
|
1.0
|
|
HD11
|
A:ILE35
|
3.9
|
56.1
|
1.0
|
|
HB2
|
A:LEU148
|
4.0
|
39.0
|
1.0
|
|
H041
|
A:8KQ306
|
4.0
|
40.8
|
1.0
|
|
HG21
|
A:VAL154
|
4.0
|
56.1
|
1.0
|
|
CD1
|
A:ILE35
|
4.0
|
46.8
|
1.0
|
|
HB1
|
A:ALA149
|
4.1
|
59.0
|
1.0
|
|
C
|
A:LEU148
|
4.1
|
33.8
|
1.0
|
|
C21
|
A:8KQ306
|
4.1
|
31.1
|
1.0
|
|
HD12
|
A:ILE35
|
4.2
|
56.1
|
1.0
|
|
H
|
A:LEU148
|
4.2
|
39.4
|
1.0
|
|
HB3
|
A:ALA149
|
4.4
|
59.0
|
1.0
|
|
HG11
|
A:VAL154
|
4.4
|
67.3
|
1.0
|
|
CD1
|
A:LEU78
|
4.4
|
31.8
|
1.0
|
|
HD12
|
A:LEU78
|
4.6
|
38.1
|
1.0
|
|
HD13
|
A:ILE52
|
4.6
|
72.0
|
1.0
|
|
HB3
|
A:LEU148
|
4.6
|
39.0
|
1.0
|
|
CB
|
A:LEU148
|
4.6
|
32.5
|
1.0
|
|
O
|
A:LEU148
|
4.6
|
36.2
|
1.0
|
|
HD13
|
A:LEU78
|
4.7
|
38.1
|
1.0
|
|
CA
|
A:LEU148
|
4.7
|
31.4
|
1.0
|
|
HD11
|
A:ILE52
|
4.7
|
72.0
|
1.0
|
|
HD23
|
A:LEU76
|
4.7
|
62.7
|
1.0
|
|
HB
|
A:VAL154
|
4.8
|
64.2
|
1.0
|
|
N
|
A:LEU148
|
4.8
|
32.9
|
1.0
|
|
HD22
|
A:LEU76
|
4.8
|
62.7
|
1.0
|
|
C05
|
A:8KQ306
|
4.8
|
29.9
|
1.0
|
|
HD2
|
A:PHE152
|
4.8
|
62.7
|
1.0
|
|
CZ
|
A:TYR15
|
4.8
|
50.9
|
1.0
|
|
O24
|
A:8KQ306
|
4.9
|
32.6
|
1.0
|
|
CG2
|
A:VAL154
|
4.9
|
46.8
|
1.0
|
|
CG
|
A:TYR15
|
4.9
|
59.3
|
1.0
|
|
C06
|
A:8KQ306
|
5.0
|
30.0
|
1.0
|
|
Fluorine binding site 5 out
of 6 in 7sa0
Go back to
Fluorine Binding Sites List in 7sa0
Fluorine binding site 5 out
of 6 in the Crystal Structure of CDK2 Liganded with Compound EF4195
 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 CDK2 Liganded with Compound EF4195 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F306
b:34.7
occ:1.00
|
F26
|
A:8KQ306
|
0.0
|
34.7
|
1.0
|
|
C02
|
A:8KQ306
|
1.3
|
39.1
|
1.0
|
|
F27
|
A:8KQ306
|
2.1
|
39.0
|
1.0
|
|
F01
|
A:8KQ306
|
2.2
|
45.2
|
1.0
|
|
C03
|
A:8KQ306
|
2.3
|
33.3
|
1.0
|
|
HD13
|
A:ILE52
|
2.5
|
72.0
|
1.0
|
|
HD11
|
A:LEU78
|
2.6
|
38.1
|
1.0
|
|
HD11
|
A:ILE52
|
3.0
|
72.0
|
1.0
|
|
C04
|
A:8KQ306
|
3.1
|
34.0
|
1.0
|
|
H041
|
A:8KQ306
|
3.1
|
40.8
|
1.0
|
|
CD1
|
A:ILE52
|
3.2
|
60.0
|
1.0
|
|
C25
|
A:8KQ306
|
3.2
|
28.6
|
1.0
|
|
HD21
|
A:LEU76
|
3.3
|
62.7
|
1.0
|
|
H251
|
A:8KQ306
|
3.4
|
34.3
|
1.0
|
|
HD23
|
A:LEU76
|
3.4
|
62.7
|
1.0
|
|
HG21
|
A:VAL154
|
3.5
|
56.1
|
1.0
|
|
CD1
|
A:LEU78
|
3.5
|
31.8
|
1.0
|
|
HD22
|
A:LEU76
|
3.6
|
62.7
|
1.0
|
|
CD2
|
A:LEU76
|
3.6
|
52.2
|
1.0
|
|
HD21
|
A:LEU78
|
3.6
|
49.2
|
1.0
|
|
HG12
|
A:ILE52
|
3.6
|
58.4
|
1.0
|
|
HD13
|
A:LEU78
|
3.7
|
38.1
|
1.0
|
|
HD12
|
A:ILE35
|
3.9
|
56.1
|
1.0
|
|
HD12
|
A:ILE52
|
3.9
|
72.0
|
1.0
|
|
CG1
|
A:ILE52
|
4.0
|
48.6
|
1.0
|
|
HD11
|
A:ILE35
|
4.0
|
56.1
|
1.0
|
|
HD12
|
A:LEU78
|
4.1
|
38.1
|
1.0
|
|
HG21
|
A:ILE52
|
4.1
|
56.6
|
1.0
|
|
HD13
|
A:ILE35
|
4.1
|
56.1
|
1.0
|
|
HD2
|
A:PHE152
|
4.2
|
62.7
|
1.0
|
|
CD1
|
A:ILE35
|
4.2
|
46.8
|
1.0
|
|
HA
|
A:ALA149
|
4.3
|
52.8
|
1.0
|
|
HG23
|
A:ILE52
|
4.3
|
56.6
|
1.0
|
|
C05
|
A:8KQ306
|
4.3
|
29.9
|
1.0
|
|
CD2
|
A:LEU78
|
4.4
|
41.0
|
1.0
|
|
C21
|
A:8KQ306
|
4.4
|
31.1
|
1.0
|
|
CG
|
A:LEU78
|
4.4
|
32.2
|
1.0
|
|
HG11
|
A:VAL154
|
4.4
|
67.3
|
1.0
|
|
CG2
|
A:VAL154
|
4.5
|
46.8
|
1.0
|
|
HG
|
A:LEU78
|
4.5
|
38.7
|
1.0
|
|
CG2
|
A:ILE52
|
4.6
|
47.1
|
1.0
|
|
HD22
|
A:LEU78
|
4.7
|
49.2
|
1.0
|
|
HG13
|
A:ILE52
|
4.7
|
58.4
|
1.0
|
|
HB2
|
A:ALA149
|
4.8
|
59.0
|
1.0
|
|
HG23
|
A:VAL154
|
4.8
|
56.1
|
1.0
|
|
HG22
|
A:VAL154
|
4.8
|
56.1
|
1.0
|
|
C06
|
A:8KQ306
|
4.9
|
30.0
|
1.0
|
|
CB
|
A:ILE52
|
5.0
|
46.3
|
1.0
|
|
Fluorine binding site 6 out
of 6 in 7sa0
Go back to
Fluorine Binding Sites List in 7sa0
Fluorine binding site 6 out
of 6 in the Crystal Structure of CDK2 Liganded with Compound EF4195
 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 CDK2 Liganded with Compound EF4195 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F306
b:39.0
occ:1.00
|
F27
|
A:8KQ306
|
0.0
|
39.0
|
1.0
|
|
C02
|
A:8KQ306
|
1.4
|
39.1
|
1.0
|
|
F26
|
A:8KQ306
|
2.1
|
34.7
|
1.0
|
|
F01
|
A:8KQ306
|
2.2
|
45.2
|
1.0
|
|
C03
|
A:8KQ306
|
2.4
|
33.3
|
1.0
|
|
HD2
|
A:PHE152
|
2.6
|
62.7
|
1.0
|
|
H041
|
A:8KQ306
|
2.6
|
40.8
|
1.0
|
|
HA
|
A:ALA149
|
2.8
|
52.8
|
1.0
|
|
C04
|
A:8KQ306
|
2.9
|
34.0
|
1.0
|
|
HD11
|
A:ILE52
|
3.2
|
72.0
|
1.0
|
|
HG21
|
A:VAL154
|
3.3
|
56.1
|
1.0
|
|
HB3
|
A:LEU148
|
3.4
|
39.0
|
1.0
|
|
CD2
|
A:PHE152
|
3.4
|
52.3
|
1.0
|
|
HG12
|
A:ILE52
|
3.5
|
58.4
|
1.0
|
|
HD13
|
A:ILE52
|
3.5
|
72.0
|
1.0
|
|
O
|
A:LEU148
|
3.5
|
36.2
|
1.0
|
|
HB2
|
A:PHE152
|
3.5
|
58.8
|
1.0
|
|
C
|
A:LEU148
|
3.6
|
33.8
|
1.0
|
|
HB2
|
A:LEU148
|
3.6
|
39.0
|
1.0
|
|
CA
|
A:ALA149
|
3.6
|
44.0
|
1.0
|
|
N
|
A:ALA149
|
3.6
|
39.6
|
1.0
|
|
C25
|
A:8KQ306
|
3.6
|
28.6
|
1.0
|
|
CD1
|
A:ILE52
|
3.7
|
60.0
|
1.0
|
|
CB
|
A:LEU148
|
3.9
|
32.5
|
1.0
|
|
H251
|
A:8KQ306
|
4.0
|
34.3
|
1.0
|
|
HG23
|
A:VAL154
|
4.0
|
56.1
|
1.0
|
|
HE2
|
A:PHE152
|
4.0
|
61.5
|
1.0
|
|
CG2
|
A:VAL154
|
4.1
|
46.8
|
1.0
|
|
CG1
|
A:ILE52
|
4.1
|
48.6
|
1.0
|
|
H
|
A:ALA149
|
4.1
|
47.5
|
1.0
|
|
HB2
|
A:ALA149
|
4.2
|
59.0
|
1.0
|
|
CE2
|
A:PHE152
|
4.2
|
51.2
|
1.0
|
|
C05
|
A:8KQ306
|
4.3
|
29.9
|
1.0
|
|
CG
|
A:PHE152
|
4.3
|
45.4
|
1.0
|
|
CB
|
A:PHE152
|
4.3
|
49.0
|
1.0
|
|
CA
|
A:LEU148
|
4.3
|
31.4
|
1.0
|
|
HG13
|
A:ILE52
|
4.4
|
58.4
|
1.0
|
|
HB
|
A:VAL154
|
4.4
|
64.2
|
1.0
|
|
CB
|
A:ALA149
|
4.4
|
49.2
|
1.0
|
|
HD11
|
A:LEU78
|
4.6
|
38.1
|
1.0
|
|
HD12
|
A:ILE52
|
4.6
|
72.0
|
1.0
|
|
HB3
|
A:PHE152
|
4.7
|
58.8
|
1.0
|
|
H
|
A:LEU148
|
4.7
|
39.4
|
1.0
|
|
C
|
A:ALA149
|
4.7
|
43.1
|
1.0
|
|
HB1
|
A:ALA149
|
4.7
|
59.0
|
1.0
|
|
HG22
|
A:VAL154
|
4.8
|
56.1
|
1.0
|
|
HG11
|
A:VAL154
|
4.8
|
67.3
|
1.0
|
|
C21
|
A:8KQ306
|
4.8
|
31.1
|
1.0
|
|
CB
|
A:VAL154
|
4.8
|
53.5
|
1.0
|
|
O
|
A:ALA149
|
4.8
|
48.4
|
1.0
|
|
H
|
A:PHE152
|
4.9
|
58.8
|
1.0
|
|
H051
|
A:8KQ306
|
4.9
|
35.9
|
1.0
|
|
HE1
|
A:TYR15
|
5.0
|
55.0
|
1.0
|
|
HD13
|
A:LEU148
|
5.0
|
40.4
|
1.0
|
|
Reference:
L.Sun,
E.Schonbrunn.
Development of Selective Allosteric Inhibitors of Cyclin-Dependent Kinase 2 (CDK2) To Be Published.
Page generated: Fri Aug 2 12:51:18 2024
|
