Iodine in PDB 9et6: CDK2-Cyclin A in Complex with Fraglite 7
Enzymatic activity of CDK2-Cyclin A in Complex with Fraglite 7
All present enzymatic activity of CDK2-Cyclin A in Complex with Fraglite 7:
2.7.11.22;
Protein crystallography data
The structure of CDK2-Cyclin A in Complex with Fraglite 7, PDB code: 9et6
was solved by
I.Hope,
M.P.Martin,
M.J.Waring,
M.E.M.Noble,
J.A.Endicott,
N.J.Tatum,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
99.25 /
2.55
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
74.252,
133.568,
147.658,
90,
90,
90
|
R / Rfree (%)
|
22.3 /
23.9
|
Iodine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Iodine atom in the CDK2-Cyclin A in Complex with Fraglite 7
(pdb code 9et6). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 12 binding sites of Iodine where determined in the
CDK2-Cyclin A in Complex with Fraglite 7, PDB code: 9et6:
Jump to Iodine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iodine binding site 1 out
of 12 in 9et6
Go back to
Iodine Binding Sites List in 9et6
Iodine binding site 1 out
of 12 in the CDK2-Cyclin A in Complex with Fraglite 7
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 1 of CDK2-Cyclin A in Complex with Fraglite 7 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:I501
b:120.7
occ:1.00
|
I1
|
D:HHQ501
|
0.0
|
120.7
|
1.0
|
C3
|
D:HHQ501
|
2.1
|
136.3
|
1.0
|
C2
|
D:HHQ501
|
3.0
|
139.7
|
1.0
|
C4
|
D:HHQ501
|
3.1
|
136.8
|
1.0
|
CD
|
D:GLN254
|
3.9
|
54.3
|
1.0
|
NE2
|
D:GLN254
|
4.0
|
56.1
|
1.0
|
CG
|
D:GLN254
|
4.1
|
48.3
|
1.0
|
CB
|
D:TRP217
|
4.1
|
53.6
|
1.0
|
CG
|
D:TRP217
|
4.1
|
56.5
|
1.0
|
CD2
|
D:TRP217
|
4.1
|
53.9
|
1.0
|
OE1
|
D:GLN254
|
4.2
|
54.1
|
1.0
|
CG2
|
D:ILE213
|
4.2
|
54.4
|
1.0
|
CE3
|
D:TRP217
|
4.3
|
53.0
|
1.0
|
C5
|
D:HHQ501
|
4.3
|
144.2
|
1.0
|
CD1
|
D:LEU214
|
4.3
|
50.2
|
1.0
|
CB
|
D:GLN254
|
4.4
|
48.2
|
1.0
|
C1
|
D:HHQ501
|
4.4
|
146.1
|
1.0
|
CA
|
D:LEU214
|
4.4
|
54.5
|
1.0
|
CD1
|
D:TRP217
|
4.7
|
57.2
|
1.0
|
O
|
D:ILE213
|
4.8
|
56.0
|
1.0
|
N
|
D:LEU214
|
4.8
|
55.8
|
1.0
|
N1
|
D:HHQ501
|
4.8
|
152.0
|
1.0
|
CE2
|
D:TRP217
|
4.9
|
55.2
|
1.0
|
C
|
D:ILE213
|
4.9
|
57.4
|
1.0
|
CB
|
D:LEU214
|
5.0
|
52.6
|
1.0
|
|
Iodine binding site 2 out
of 12 in 9et6
Go back to
Iodine Binding Sites List in 9et6
Iodine binding site 2 out
of 12 in the CDK2-Cyclin A in Complex with Fraglite 7
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 2 of CDK2-Cyclin A in Complex with Fraglite 7 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I301
b:63.7
occ:1.00
|
I1
|
A:HHQ301
|
0.0
|
63.7
|
1.0
|
C3
|
A:HHQ301
|
2.1
|
69.0
|
1.0
|
C2
|
A:HHQ301
|
3.1
|
68.7
|
1.0
|
C4
|
A:HHQ301
|
3.1
|
67.4
|
1.0
|
OG
|
A:SER239
|
3.4
|
54.5
|
1.0
|
CD1
|
A:PHE240
|
4.0
|
47.1
|
1.0
|
CZ
|
A:PHE213
|
4.2
|
35.4
|
1.0
|
CE1
|
A:PHE240
|
4.2
|
46.3
|
1.0
|
C5
|
A:HHQ301
|
4.4
|
68.0
|
1.0
|
CB
|
A:SER239
|
4.4
|
51.0
|
1.0
|
C1
|
A:HHQ301
|
4.4
|
68.8
|
1.0
|
N
|
A:PHE240
|
4.6
|
41.9
|
1.0
|
CB
|
A:LYS237
|
4.6
|
50.9
|
1.0
|
C
|
A:SER239
|
4.7
|
43.8
|
1.0
|
O
|
A:SER239
|
4.8
|
42.9
|
1.0
|
CA
|
A:PHE240
|
4.8
|
42.2
|
1.0
|
CG
|
A:LYS237
|
4.8
|
53.6
|
1.0
|
CE2
|
A:PHE213
|
4.9
|
38.4
|
1.0
|
N1
|
A:HHQ301
|
4.9
|
64.3
|
1.0
|
|
Iodine binding site 3 out
of 12 in 9et6
Go back to
Iodine Binding Sites List in 9et6
Iodine binding site 3 out
of 12 in the CDK2-Cyclin A in Complex with Fraglite 7
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 3 of CDK2-Cyclin A in Complex with Fraglite 7 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I302
b:103.6
occ:0.50
|
I1
|
A:HHQ302
|
0.0
|
103.6
|
0.5
|
C3
|
A:HHQ302
|
2.1
|
90.7
|
0.5
|
C2
|
A:HHQ302
|
3.0
|
77.9
|
0.5
|
C4
|
A:HHQ302
|
3.1
|
85.6
|
0.5
|
CG2
|
A:VAL18
|
3.9
|
57.1
|
1.0
|
CB
|
A:VAL18
|
4.0
|
57.6
|
1.0
|
CG1
|
A:VAL18
|
4.1
|
56.3
|
1.0
|
O
|
A:HOH431
|
4.1
|
70.7
|
1.0
|
C5
|
A:HHQ303
|
4.1
|
92.3
|
0.5
|
C4
|
A:HHQ303
|
4.2
|
88.2
|
0.5
|
C5
|
A:HHQ302
|
4.3
|
80.1
|
0.5
|
C1
|
A:HHQ302
|
4.4
|
74.4
|
0.5
|
CA
|
A:GLY11
|
4.6
|
69.8
|
1.0
|
CG1
|
A:ILE10
|
4.8
|
58.5
|
1.0
|
O
|
A:ILE10
|
4.8
|
72.5
|
1.0
|
N1
|
A:HHQ302
|
4.8
|
78.0
|
0.5
|
N1
|
A:HHQ303
|
4.8
|
95.8
|
0.5
|
C3
|
A:HHQ303
|
4.9
|
94.2
|
0.5
|
|
Iodine binding site 4 out
of 12 in 9et6
Go back to
Iodine Binding Sites List in 9et6
Iodine binding site 4 out
of 12 in the CDK2-Cyclin A in Complex with Fraglite 7
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 4 of CDK2-Cyclin A in Complex with Fraglite 7 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I303
b:129.2
occ:0.50
|
I1
|
A:HHQ303
|
0.0
|
129.2
|
0.5
|
O1
|
A:HHQ302
|
1.8
|
72.3
|
0.5
|
C3
|
A:HHQ303
|
2.1
|
94.2
|
0.5
|
C1
|
A:HHQ302
|
2.8
|
74.4
|
0.5
|
O
|
A:GLU81
|
2.8
|
51.0
|
1.0
|
C2
|
A:HHQ303
|
3.0
|
98.8
|
0.5
|
C4
|
A:HHQ303
|
3.1
|
88.2
|
0.5
|
C2
|
A:HHQ302
|
3.2
|
77.9
|
0.5
|
CB
|
A:ALA31
|
3.6
|
40.3
|
1.0
|
CD1
|
A:LEU134
|
3.8
|
37.4
|
1.0
|
N
|
A:LEU83
|
3.9
|
47.2
|
1.0
|
C
|
A:GLU81
|
4.0
|
46.7
|
1.0
|
N1
|
A:HHQ302
|
4.0
|
78.0
|
0.5
|
CA
|
A:PHE82
|
4.1
|
48.4
|
1.0
|
CB
|
A:PHE80
|
4.1
|
40.8
|
1.0
|
CG2
|
A:VAL64
|
4.1
|
34.2
|
1.0
|
CD1
|
A:LEU83
|
4.2
|
49.1
|
1.0
|
C5
|
A:HHQ303
|
4.3
|
92.3
|
0.5
|
C1
|
A:HHQ303
|
4.4
|
100.7
|
0.5
|
C
|
A:PHE82
|
4.5
|
47.5
|
1.0
|
N
|
A:PHE82
|
4.6
|
49.4
|
1.0
|
C3
|
A:HHQ302
|
4.6
|
90.7
|
0.5
|
CB
|
A:LEU83
|
4.8
|
43.2
|
1.0
|
N1
|
A:HHQ303
|
4.8
|
95.8
|
0.5
|
CD1
|
A:PHE82
|
4.8
|
58.1
|
1.0
|
C
|
A:PHE80
|
4.9
|
50.0
|
1.0
|
CA
|
A:LEU83
|
4.9
|
48.3
|
1.0
|
CA
|
A:ALA31
|
4.9
|
48.1
|
1.0
|
O
|
A:LEU83
|
4.9
|
53.0
|
1.0
|
N
|
A:GLU81
|
4.9
|
47.6
|
1.0
|
CG
|
A:PHE80
|
5.0
|
39.2
|
1.0
|
O
|
A:PHE80
|
5.0
|
56.0
|
1.0
|
|
Iodine binding site 5 out
of 12 in 9et6
Go back to
Iodine Binding Sites List in 9et6
Iodine binding site 5 out
of 12 in the CDK2-Cyclin A in Complex with Fraglite 7
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 5 of CDK2-Cyclin A in Complex with Fraglite 7 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I304
b:135.3
occ:1.00
|
I1
|
A:HHQ304
|
0.0
|
135.3
|
1.0
|
C3
|
A:HHQ304
|
2.1
|
112.2
|
1.0
|
C2
|
A:HHQ304
|
3.1
|
107.7
|
1.0
|
C4
|
A:HHQ304
|
3.1
|
105.8
|
1.0
|
CD1
|
A:LEU32
|
3.7
|
52.1
|
1.0
|
CD1
|
A:TYR19
|
3.9
|
87.5
|
1.0
|
CG
|
A:TYR19
|
3.9
|
80.7
|
1.0
|
CB
|
A:LYS6
|
4.1
|
80.3
|
1.0
|
CE
|
A:LYS6
|
4.1
|
104.2
|
1.0
|
CB
|
A:TYR19
|
4.2
|
69.5
|
1.0
|
CG
|
A:LYS6
|
4.2
|
88.0
|
1.0
|
C5
|
A:HHQ304
|
4.3
|
108.5
|
1.0
|
CE1
|
A:TYR19
|
4.4
|
97.3
|
1.0
|
CE1
|
A:TYR77
|
4.4
|
71.2
|
1.0
|
C1
|
A:HHQ304
|
4.4
|
112.0
|
1.0
|
CD2
|
A:TYR19
|
4.5
|
85.7
|
1.0
|
CB
|
A:LEU32
|
4.6
|
50.9
|
1.0
|
CD
|
A:LYS6
|
4.6
|
100.9
|
1.0
|
CG
|
A:LEU32
|
4.8
|
51.8
|
1.0
|
N1
|
A:HHQ304
|
4.8
|
113.6
|
1.0
|
CZ
|
A:TYR19
|
4.9
|
109.9
|
1.0
|
CE
|
A:MET1
|
4.9
|
72.2
|
1.0
|
CE2
|
A:TYR19
|
4.9
|
95.9
|
1.0
|
|
Iodine binding site 6 out
of 12 in 9et6
Go back to
Iodine Binding Sites List in 9et6
Iodine binding site 6 out
of 12 in the CDK2-Cyclin A in Complex with Fraglite 7
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 6 of CDK2-Cyclin A in Complex with Fraglite 7 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I305
b:97.7
occ:1.00
|
I1
|
A:HHQ305
|
0.0
|
97.7
|
1.0
|
C3
|
A:HHQ305
|
2.1
|
88.2
|
1.0
|
C4
|
A:HHQ305
|
3.1
|
76.8
|
1.0
|
C2
|
A:HHQ305
|
3.1
|
94.1
|
1.0
|
O
|
A:LEU66
|
3.6
|
44.4
|
1.0
|
N
|
A:ASP68
|
3.8
|
45.3
|
1.0
|
CG
|
A:LEU66
|
3.9
|
40.7
|
1.0
|
C
|
A:LEU67
|
3.9
|
44.7
|
1.0
|
O
|
A:HOH461
|
3.9
|
56.6
|
1.0
|
CA
|
A:ASP68
|
4.0
|
46.3
|
1.0
|
O
|
A:LEU67
|
4.0
|
47.5
|
1.0
|
C
|
A:LEU66
|
4.2
|
43.1
|
1.0
|
CG
|
A:LYS56
|
4.2
|
62.4
|
1.0
|
CB
|
A:LEU66
|
4.3
|
39.9
|
1.0
|
C5
|
A:HHQ305
|
4.4
|
75.8
|
1.0
|
CD2
|
A:LEU66
|
4.4
|
38.4
|
1.0
|
C
|
A:ASP68
|
4.4
|
46.6
|
1.0
|
CE
|
A:LYS56
|
4.4
|
69.9
|
1.0
|
C1
|
A:HHQ305
|
4.5
|
104.4
|
1.0
|
N
|
A:LEU67
|
4.6
|
43.5
|
1.0
|
CD
|
A:LYS56
|
4.7
|
68.9
|
1.0
|
CA
|
A:LEU67
|
4.7
|
44.0
|
1.0
|
CG2
|
A:VAL69
|
4.8
|
42.2
|
1.0
|
O
|
A:ASP68
|
4.8
|
48.7
|
1.0
|
N
|
A:VAL69
|
4.9
|
45.6
|
1.0
|
O
|
A:HOH468
|
4.9
|
56.8
|
1.0
|
N1
|
A:HHQ305
|
4.9
|
83.0
|
1.0
|
CA
|
A:LEU66
|
4.9
|
42.2
|
1.0
|
O
|
A:HOH413
|
5.0
|
56.2
|
1.0
|
|
Iodine binding site 7 out
of 12 in 9et6
Go back to
Iodine Binding Sites List in 9et6
Iodine binding site 7 out
of 12 in the CDK2-Cyclin A in Complex with Fraglite 7
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 7 of CDK2-Cyclin A in Complex with Fraglite 7 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:I501
b:85.7
occ:1.00
|
I1
|
B:HHQ501
|
0.0
|
85.7
|
1.0
|
C3
|
B:HHQ501
|
2.1
|
95.8
|
1.0
|
C2
|
B:HHQ501
|
3.0
|
89.0
|
1.0
|
C4
|
B:HHQ501
|
3.1
|
97.3
|
1.0
|
CG
|
B:TRP217
|
3.7
|
45.3
|
1.0
|
CD2
|
B:TRP217
|
3.8
|
43.9
|
1.0
|
OE1
|
B:GLN254
|
3.9
|
56.4
|
1.0
|
CB
|
B:TRP217
|
3.9
|
45.6
|
1.0
|
I1
|
B:HHQ502
|
4.0
|
82.7
|
1.0
|
CD
|
B:GLN254
|
4.0
|
52.8
|
1.0
|
CD1
|
B:TRP217
|
4.0
|
49.7
|
1.0
|
CE3
|
B:TRP217
|
4.3
|
46.1
|
1.0
|
CG
|
B:GLN254
|
4.3
|
49.8
|
1.0
|
CE2
|
B:TRP217
|
4.3
|
46.6
|
1.0
|
C5
|
B:HHQ501
|
4.3
|
98.9
|
1.0
|
C1
|
B:HHQ501
|
4.4
|
94.5
|
1.0
|
NE1
|
B:TRP217
|
4.4
|
48.8
|
1.0
|
NE2
|
B:GLN254
|
4.6
|
53.7
|
1.0
|
CG2
|
B:ILE213
|
4.6
|
48.3
|
1.0
|
N1
|
B:HHQ501
|
4.8
|
99.5
|
1.0
|
CB
|
B:GLN254
|
4.9
|
52.4
|
1.0
|
|
Iodine binding site 8 out
of 12 in 9et6
Go back to
Iodine Binding Sites List in 9et6
Iodine binding site 8 out
of 12 in the CDK2-Cyclin A in Complex with Fraglite 7
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 8 of CDK2-Cyclin A in Complex with Fraglite 7 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:I502
b:82.7
occ:1.00
|
I1
|
B:HHQ502
|
0.0
|
82.7
|
1.0
|
C3
|
B:HHQ502
|
2.1
|
74.9
|
1.0
|
C2
|
B:HHQ502
|
3.0
|
72.6
|
1.0
|
C4
|
B:HHQ502
|
3.1
|
69.7
|
1.0
|
C2
|
B:HHQ501
|
3.7
|
89.0
|
1.0
|
C3
|
B:HHQ501
|
3.8
|
95.8
|
1.0
|
CB
|
B:LEU214
|
3.9
|
40.4
|
1.0
|
I1
|
B:HHQ501
|
4.0
|
85.7
|
1.0
|
CG
|
B:LEU253
|
4.0
|
43.8
|
1.0
|
CD2
|
B:LEU253
|
4.1
|
44.8
|
1.0
|
O
|
B:HOH628
|
4.1
|
54.4
|
1.0
|
CD1
|
B:LEU214
|
4.2
|
42.7
|
1.0
|
CB
|
B:GLN254
|
4.2
|
52.4
|
1.0
|
CA
|
B:LEU214
|
4.3
|
42.6
|
1.0
|
N
|
B:GLN254
|
4.3
|
49.4
|
1.0
|
CB
|
B:LEU253
|
4.3
|
45.8
|
1.0
|
C5
|
B:HHQ502
|
4.3
|
79.6
|
1.0
|
C1
|
B:HHQ502
|
4.4
|
73.7
|
1.0
|
O
|
B:MET210
|
4.4
|
53.0
|
1.0
|
C1
|
B:HHQ501
|
4.4
|
94.5
|
1.0
|
CA
|
B:GLN254
|
4.5
|
51.8
|
1.0
|
N
|
B:LEU214
|
4.5
|
42.8
|
1.0
|
C4
|
B:HHQ501
|
4.6
|
97.3
|
1.0
|
CG
|
B:LEU214
|
4.6
|
38.1
|
1.0
|
C
|
B:LEU253
|
4.8
|
47.5
|
1.0
|
N1
|
B:HHQ502
|
4.8
|
76.0
|
1.0
|
CG2
|
B:ILE213
|
4.9
|
48.3
|
1.0
|
CG
|
B:GLN254
|
4.9
|
49.8
|
1.0
|
O1
|
B:HHQ501
|
5.0
|
94.0
|
1.0
|
|
Iodine binding site 9 out
of 12 in 9et6
Go back to
Iodine Binding Sites List in 9et6
Iodine binding site 9 out
of 12 in the CDK2-Cyclin A in Complex with Fraglite 7
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 9 of CDK2-Cyclin A in Complex with Fraglite 7 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I301
b:78.9
occ:0.50
|
I1
|
C:HHQ301
|
0.0
|
78.9
|
0.5
|
I1
|
C:HHQ301
|
0.6
|
80.7
|
0.5
|
C3
|
C:HHQ301
|
1.9
|
77.6
|
0.5
|
C3
|
C:HHQ301
|
2.1
|
63.8
|
0.5
|
C2
|
C:HHQ301
|
2.7
|
66.0
|
0.5
|
C4
|
C:HHQ301
|
2.9
|
77.1
|
0.5
|
C4
|
C:HHQ301
|
3.1
|
59.4
|
0.5
|
C2
|
C:HHQ301
|
3.1
|
54.9
|
0.5
|
CG1
|
C:VAL18
|
3.9
|
55.8
|
1.0
|
O
|
C:ILE10
|
3.9
|
67.5
|
1.0
|
CB
|
C:VAL18
|
4.0
|
62.7
|
1.0
|
C1
|
C:HHQ301
|
4.0
|
64.9
|
0.5
|
CG2
|
C:VAL18
|
4.1
|
63.0
|
1.0
|
C5
|
C:HHQ301
|
4.1
|
75.5
|
0.5
|
CG1
|
C:ILE10
|
4.3
|
55.2
|
1.0
|
CA
|
C:GLY11
|
4.4
|
71.0
|
1.0
|
C5
|
C:HHQ301
|
4.4
|
56.4
|
0.5
|
C
|
C:ILE10
|
4.4
|
64.9
|
1.0
|
CD1
|
C:ILE10
|
4.5
|
50.9
|
1.0
|
C1
|
C:HHQ301
|
4.5
|
50.4
|
0.5
|
N1
|
C:HHQ301
|
4.5
|
69.9
|
0.5
|
N
|
C:GLY11
|
4.7
|
68.9
|
1.0
|
O
|
C:HOH403
|
4.9
|
52.9
|
1.0
|
N1
|
C:HHQ301
|
4.9
|
50.3
|
0.5
|
CB
|
C:ILE10
|
4.9
|
61.8
|
1.0
|
|
Iodine binding site 10 out
of 12 in 9et6
Go back to
Iodine Binding Sites List in 9et6
Iodine binding site 10 out
of 12 in the CDK2-Cyclin A in Complex with Fraglite 7
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 10 of CDK2-Cyclin A in Complex with Fraglite 7 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I301
b:80.7
occ:0.50
|
I1
|
C:HHQ301
|
0.0
|
80.7
|
0.5
|
I1
|
C:HHQ301
|
0.6
|
78.9
|
0.5
|
C3
|
C:HHQ301
|
2.1
|
77.6
|
0.5
|
C3
|
C:HHQ301
|
2.3
|
63.8
|
0.5
|
C2
|
C:HHQ301
|
3.0
|
66.0
|
0.5
|
C4
|
C:HHQ301
|
3.1
|
77.1
|
0.5
|
C2
|
C:HHQ301
|
3.2
|
54.9
|
0.5
|
C4
|
C:HHQ301
|
3.4
|
59.4
|
0.5
|
CG2
|
C:VAL18
|
4.1
|
63.0
|
1.0
|
CG1
|
C:VAL18
|
4.1
|
55.8
|
1.0
|
CB
|
C:VAL18
|
4.1
|
62.7
|
1.0
|
C5
|
C:HHQ301
|
4.3
|
75.5
|
0.5
|
C1
|
C:HHQ301
|
4.4
|
64.9
|
0.5
|
O
|
C:ILE10
|
4.4
|
67.5
|
1.0
|
C1
|
C:HHQ301
|
4.6
|
50.4
|
0.5
|
O
|
C:HOH403
|
4.6
|
52.9
|
1.0
|
CA
|
C:GLY11
|
4.6
|
71.0
|
1.0
|
C5
|
C:HHQ301
|
4.6
|
56.4
|
0.5
|
N1
|
C:HHQ301
|
4.8
|
69.9
|
0.5
|
C
|
C:ILE10
|
4.9
|
64.9
|
1.0
|
CG1
|
C:ILE10
|
4.9
|
55.2
|
1.0
|
|
Reference:
I.Hope,
M.P.Martin,
M.J.Waring,
M.E.M.Noble,
J.A.Endicott,
N.J.Tatum.
Crystallographic Fragment Screening of CDK2-Cyclin A: Fraglites Map Sites of Protein-Protein Interaction To Be Published.
Page generated: Sat Aug 9 00:42:50 2025
|