Fluorine in PDB 6eim: Human STK10 Bound to GW683134A
Enzymatic activity of Human STK10 Bound to GW683134A
All present enzymatic activity of Human STK10 Bound to GW683134A:
2.7.11.1;
Protein crystallography data
The structure of Human STK10 Bound to GW683134A, PDB code: 6eim
was solved by
F.J.Sorrell,
B.-T.Berger,
E.Salah,
F.Von Delft,
C.Bountra,
C.Arrowsmith,
A.M.Edwards,
S.Knapp,
J.M.Elkins,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
41.81 /
1.43
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
49.468,
99.812,
125.839,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
15.4 /
17.4
|
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Human STK10 Bound to GW683134A
(pdb code 6eim). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the
Human STK10 Bound to GW683134A, PDB code: 6eim:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Fluorine binding site 1 out
of 8 in 6eim
Go back to
Fluorine Binding Sites List in 6eim
Fluorine binding site 1 out
of 8 in the Human STK10 Bound to GW683134A
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Human STK10 Bound to GW683134A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F405
b:24.5
occ:1.00
|
F1
|
A:B6E405
|
0.0
|
24.5
|
1.0
|
|
C24
|
A:B6E405
|
1.3
|
21.7
|
1.0
|
|
F3
|
A:B6E405
|
2.1
|
23.7
|
1.0
|
|
F2
|
A:B6E405
|
2.1
|
23.3
|
1.0
|
|
C20
|
A:B6E405
|
2.4
|
16.4
|
1.0
|
|
HG23
|
A:ILE93
|
2.9
|
18.8
|
0.4
|
|
HG23
|
A:ILE93
|
2.9
|
20.1
|
0.6
|
|
HG21
|
A:ILE93
|
2.9
|
20.1
|
0.6
|
|
HG21
|
A:ILE93
|
3.0
|
18.8
|
0.4
|
|
H13
|
A:B6E405
|
3.0
|
19.5
|
1.0
|
|
C19
|
A:B6E405
|
3.1
|
16.2
|
1.0
|
|
HD21
|
A:LEU148
|
3.2
|
22.6
|
1.0
|
|
C21
|
A:B6E405
|
3.3
|
18.5
|
1.0
|
|
CG2
|
A:ILE93
|
3.3
|
16.8
|
0.6
|
|
CG2
|
A:ILE93
|
3.3
|
15.6
|
0.4
|
|
HD12
|
A:ILE93
|
3.4
|
19.1
|
0.4
|
|
H14
|
A:B6E405
|
3.5
|
22.2
|
1.0
|
|
HD13
|
A:ILE93
|
3.7
|
20.5
|
0.6
|
|
HG22
|
A:ILE93
|
3.8
|
18.8
|
0.4
|
|
HG22
|
A:ILE93
|
3.8
|
20.1
|
0.6
|
|
HD23
|
A:LEU85
|
3.8
|
27.9
|
1.0
|
|
HD11
|
A:LEU148
|
4.0
|
22.1
|
1.0
|
|
HD22
|
A:LEU148
|
4.0
|
22.6
|
1.0
|
|
HG22
|
A:ILE84
|
4.0
|
24.6
|
1.0
|
|
CD2
|
A:LEU148
|
4.0
|
18.9
|
1.0
|
|
SG
|
A:CYS88
|
4.1
|
35.1
|
1.0
|
|
HB3
|
A:CYS88
|
4.2
|
36.3
|
1.0
|
|
HG12
|
A:ILE93
|
4.3
|
19.4
|
0.6
|
|
HB2
|
A:CYS88
|
4.3
|
36.3
|
1.0
|
|
CD1
|
A:ILE93
|
4.3
|
15.9
|
0.4
|
|
C18
|
A:B6E405
|
4.3
|
16.2
|
1.0
|
|
HD21
|
A:LEU85
|
4.4
|
27.9
|
1.0
|
|
HG22
|
A:VAL94
|
4.4
|
19.4
|
1.0
|
|
HG21
|
A:ILE84
|
4.4
|
24.6
|
1.0
|
|
CB
|
A:CYS88
|
4.5
|
30.3
|
1.0
|
|
HB2
|
A:ASP175
|
4.5
|
22.7
|
1.0
|
|
C22
|
A:B6E405
|
4.5
|
22.2
|
1.0
|
|
CD2
|
A:LEU85
|
4.6
|
23.3
|
1.0
|
|
O
|
A:LEU173
|
4.6
|
13.7
|
1.0
|
|
CD1
|
A:ILE93
|
4.6
|
17.1
|
0.6
|
|
CG2
|
A:ILE84
|
4.6
|
20.5
|
1.0
|
|
CB
|
A:ILE93
|
4.6
|
15.7
|
0.6
|
|
HD23
|
A:LEU148
|
4.6
|
22.6
|
1.0
|
|
HD13
|
A:LEU148
|
4.6
|
22.1
|
1.0
|
|
HD2
|
A:HIS155
|
4.7
|
16.9
|
1.0
|
|
CD1
|
A:LEU148
|
4.7
|
18.5
|
1.0
|
|
CB
|
A:ILE93
|
4.7
|
14.6
|
0.4
|
|
HG13
|
A:ILE93
|
4.7
|
18.2
|
0.4
|
|
CG1
|
A:ILE93
|
4.7
|
16.2
|
0.6
|
|
HD13
|
A:ILE93
|
4.8
|
19.1
|
0.4
|
|
HG23
|
A:ILE84
|
4.8
|
24.6
|
1.0
|
|
CG1
|
A:ILE93
|
4.8
|
15.2
|
0.4
|
|
HD11
|
A:ILE93
|
4.8
|
19.1
|
0.4
|
|
HG21
|
A:ILE153
|
4.8
|
24.6
|
1.0
|
|
C23
|
A:B6E405
|
4.9
|
20.5
|
1.0
|
|
HG
|
A:CYS88
|
4.9
|
42.1
|
1.0
|
|
HG
|
A:LEU173
|
4.9
|
19.4
|
1.0
|
|
CG
|
A:LEU148
|
4.9
|
16.8
|
1.0
|
|
HA
|
A:LEU85
|
4.9
|
23.4
|
1.0
|
|
HD23
|
A:LEU173
|
5.0
|
19.2
|
1.0
|
|
HA
|
A:ALA174
|
5.0
|
16.9
|
1.0
|
|
Fluorine binding site 2 out
of 8 in 6eim
Go back to
Fluorine Binding Sites List in 6eim
Fluorine binding site 2 out
of 8 in the Human STK10 Bound to GW683134A
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Human STK10 Bound to GW683134A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F405
b:23.3
occ:1.00
|
F2
|
A:B6E405
|
0.0
|
23.3
|
1.0
|
|
C24
|
A:B6E405
|
1.3
|
21.7
|
1.0
|
|
F3
|
A:B6E405
|
2.1
|
23.7
|
1.0
|
|
F1
|
A:B6E405
|
2.1
|
24.5
|
1.0
|
|
C20
|
A:B6E405
|
2.3
|
16.4
|
1.0
|
|
H13
|
A:B6E405
|
2.7
|
19.5
|
1.0
|
|
C19
|
A:B6E405
|
2.9
|
16.2
|
1.0
|
|
HB2
|
A:ASP175
|
2.9
|
22.7
|
1.0
|
|
HD2
|
A:HIS155
|
3.0
|
16.9
|
1.0
|
|
HG
|
A:LEU173
|
3.2
|
19.4
|
1.0
|
|
C21
|
A:B6E405
|
3.5
|
18.5
|
1.0
|
|
HG23
|
A:ILE93
|
3.6
|
18.8
|
0.4
|
|
HG23
|
A:ILE93
|
3.6
|
20.1
|
0.6
|
|
CD2
|
A:HIS155
|
3.6
|
14.1
|
1.0
|
|
HA
|
A:ALA174
|
3.7
|
16.9
|
1.0
|
|
O
|
A:LEU173
|
3.7
|
13.7
|
1.0
|
|
C
|
A:ALA174
|
3.7
|
15.3
|
1.0
|
|
H14
|
A:B6E405
|
3.8
|
22.2
|
1.0
|
|
HE2
|
A:HIS155
|
3.8
|
18.1
|
1.0
|
|
HD12
|
A:ILE93
|
3.8
|
19.1
|
0.4
|
|
CB
|
A:ASP175
|
3.9
|
18.9
|
1.0
|
|
N
|
A:ASP175
|
3.9
|
17.2
|
1.0
|
|
HD11
|
A:LEU148
|
3.9
|
22.1
|
1.0
|
|
O
|
A:ALA174
|
4.0
|
14.2
|
1.0
|
|
NE2
|
A:HIS155
|
4.0
|
15.1
|
1.0
|
|
HD23
|
A:LEU173
|
4.0
|
19.2
|
1.0
|
|
H
|
A:ASP175
|
4.1
|
20.6
|
1.0
|
|
CA
|
A:ALA174
|
4.1
|
14.1
|
1.0
|
|
C
|
A:LEU173
|
4.1
|
13.8
|
1.0
|
|
CG
|
A:LEU173
|
4.1
|
16.2
|
1.0
|
|
C18
|
A:B6E405
|
4.2
|
16.2
|
1.0
|
|
HB3
|
A:LEU173
|
4.2
|
17.0
|
1.0
|
|
HB3
|
A:ASP175
|
4.2
|
22.7
|
1.0
|
|
N
|
A:ALA174
|
4.3
|
14.2
|
1.0
|
|
CG2
|
A:ILE93
|
4.4
|
15.6
|
0.4
|
|
HG21
|
A:ILE93
|
4.4
|
20.1
|
0.6
|
|
CG2
|
A:ILE93
|
4.4
|
16.8
|
0.6
|
|
HG22
|
A:VAL94
|
4.4
|
19.4
|
1.0
|
|
HD21
|
A:LEU148
|
4.4
|
22.6
|
1.0
|
|
HG21
|
A:ILE93
|
4.4
|
18.8
|
0.4
|
|
CD2
|
A:LEU173
|
4.5
|
16.0
|
1.0
|
|
CA
|
A:ASP175
|
4.5
|
18.0
|
1.0
|
|
O1
|
A:B6E405
|
4.5
|
16.9
|
1.0
|
|
HD21
|
A:LEU173
|
4.5
|
19.2
|
1.0
|
|
CB
|
A:LEU173
|
4.6
|
14.1
|
1.0
|
|
HG12
|
A:ILE93
|
4.7
|
19.4
|
0.6
|
|
HD13
|
A:LEU148
|
4.7
|
22.1
|
1.0
|
|
C22
|
A:B6E405
|
4.7
|
22.2
|
1.0
|
|
OD2
|
A:ASP175
|
4.7
|
19.4
|
1.0
|
|
CD1
|
A:ILE93
|
4.7
|
15.9
|
0.4
|
|
CD1
|
A:LEU148
|
4.7
|
18.5
|
1.0
|
|
CG
|
A:ASP175
|
4.8
|
20.1
|
1.0
|
|
HG22
|
A:ILE93
|
4.8
|
18.8
|
0.4
|
|
CG
|
A:HIS155
|
4.8
|
13.8
|
1.0
|
|
HD13
|
A:ILE93
|
4.8
|
19.1
|
0.4
|
|
HA
|
A:ASP175
|
4.9
|
21.6
|
1.0
|
|
HG22
|
A:ILE93
|
4.9
|
20.1
|
0.6
|
|
H
|
A:ALA174
|
4.9
|
17.1
|
1.0
|
|
C23
|
A:B6E405
|
4.9
|
20.5
|
1.0
|
|
Fluorine binding site 3 out
of 8 in 6eim
Go back to
Fluorine Binding Sites List in 6eim
Fluorine binding site 3 out
of 8 in the Human STK10 Bound to GW683134A
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Human STK10 Bound to GW683134A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F405
b:23.7
occ:1.00
|
F3
|
A:B6E405
|
0.0
|
23.7
|
1.0
|
|
C24
|
A:B6E405
|
1.3
|
21.7
|
1.0
|
|
F2
|
A:B6E405
|
2.1
|
23.3
|
1.0
|
|
F1
|
A:B6E405
|
2.1
|
24.5
|
1.0
|
|
C20
|
A:B6E405
|
2.3
|
16.4
|
1.0
|
|
H14
|
A:B6E405
|
2.4
|
22.2
|
1.0
|
|
C21
|
A:B6E405
|
2.7
|
18.5
|
1.0
|
|
HD11
|
A:LEU148
|
3.0
|
22.1
|
1.0
|
|
HD13
|
A:LEU148
|
3.1
|
22.1
|
1.0
|
|
HD2
|
A:HIS155
|
3.2
|
16.9
|
1.0
|
|
HD21
|
A:LEU148
|
3.3
|
22.6
|
1.0
|
|
HD22
|
A:LEU148
|
3.3
|
22.6
|
1.0
|
|
CD1
|
A:LEU148
|
3.5
|
18.5
|
1.0
|
|
C19
|
A:B6E405
|
3.6
|
16.2
|
1.0
|
|
CD2
|
A:LEU148
|
3.7
|
18.9
|
1.0
|
|
HB2
|
A:ASP175
|
3.7
|
22.7
|
1.0
|
|
CD2
|
A:HIS155
|
3.9
|
14.1
|
1.0
|
|
HG21
|
A:ILE153
|
4.0
|
24.6
|
1.0
|
|
H13
|
A:B6E405
|
4.0
|
19.5
|
1.0
|
|
HA
|
A:HIS155
|
4.0
|
17.1
|
1.0
|
|
C22
|
A:B6E405
|
4.1
|
22.2
|
1.0
|
|
HD12
|
A:ILE93
|
4.1
|
19.1
|
0.4
|
|
HG22
|
A:ILE153
|
4.1
|
24.6
|
1.0
|
|
HB2
|
A:HIS155
|
4.2
|
17.0
|
1.0
|
|
CG
|
A:LEU148
|
4.2
|
16.8
|
1.0
|
|
HD12
|
A:LEU148
|
4.3
|
22.1
|
1.0
|
|
OD2
|
A:ASP175
|
4.4
|
19.4
|
1.0
|
|
HG21
|
A:ILE84
|
4.5
|
24.6
|
1.0
|
|
HD23
|
A:LEU173
|
4.5
|
19.2
|
1.0
|
|
CG2
|
A:ILE153
|
4.5
|
20.5
|
1.0
|
|
CG
|
A:HIS155
|
4.5
|
13.8
|
1.0
|
|
HG23
|
A:ILE93
|
4.5
|
18.8
|
0.4
|
|
HD23
|
A:LEU148
|
4.6
|
22.6
|
1.0
|
|
HG23
|
A:ILE93
|
4.6
|
20.1
|
0.6
|
|
CB
|
A:ASP175
|
4.6
|
18.9
|
1.0
|
|
HG
|
A:LEU173
|
4.6
|
19.4
|
1.0
|
|
CB
|
A:HIS155
|
4.7
|
14.2
|
1.0
|
|
HD13
|
A:ILE93
|
4.7
|
20.5
|
0.6
|
|
HG22
|
A:ILE84
|
4.7
|
24.6
|
1.0
|
|
HG21
|
A:ILE93
|
4.7
|
20.1
|
0.6
|
|
C18
|
A:B6E405
|
4.8
|
16.2
|
1.0
|
|
H15
|
A:B6E405
|
4.8
|
26.6
|
1.0
|
|
NE2
|
A:HIS155
|
4.8
|
15.1
|
1.0
|
|
CA
|
A:HIS155
|
4.8
|
14.2
|
1.0
|
|
HB3
|
A:ASP175
|
4.8
|
22.7
|
1.0
|
|
HG
|
A:LEU148
|
4.8
|
20.1
|
1.0
|
|
HG21
|
A:ILE93
|
4.8
|
18.8
|
0.4
|
|
C23
|
A:B6E405
|
4.9
|
20.5
|
1.0
|
|
HE2
|
A:HIS155
|
4.9
|
18.1
|
1.0
|
|
CG2
|
A:ILE84
|
4.9
|
20.5
|
1.0
|
|
HD21
|
A:LEU173
|
4.9
|
19.2
|
1.0
|
|
HG23
|
A:ILE153
|
5.0
|
24.6
|
1.0
|
|
HG23
|
A:ILE84
|
5.0
|
24.6
|
1.0
|
|
Fluorine binding site 4 out
of 8 in 6eim
Go back to
Fluorine Binding Sites List in 6eim
Fluorine binding site 4 out
of 8 in the Human STK10 Bound to GW683134A
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Human STK10 Bound to GW683134A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F405
b:22.1
occ:1.00
|
F
|
A:B6E405
|
0.0
|
22.1
|
1.0
|
|
C23
|
A:B6E405
|
1.4
|
20.5
|
1.0
|
|
H12
|
A:B6E405
|
2.2
|
21.4
|
1.0
|
|
C18
|
A:B6E405
|
2.3
|
16.2
|
1.0
|
|
C22
|
A:B6E405
|
2.4
|
22.2
|
1.0
|
|
HG3
|
A:GLU81
|
2.6
|
26.0
|
1.0
|
|
H15
|
A:B6E405
|
2.6
|
26.6
|
1.0
|
|
N4
|
A:B6E405
|
2.7
|
17.8
|
1.0
|
|
HD21
|
A:LEU183
|
2.8
|
33.4
|
1.0
|
|
HD23
|
A:LEU183
|
3.2
|
33.4
|
1.0
|
|
CD2
|
A:LEU183
|
3.3
|
27.8
|
1.0
|
|
HD22
|
A:LEU183
|
3.3
|
33.4
|
1.0
|
|
OE1
|
A:GLU81
|
3.4
|
23.5
|
1.0
|
|
CG
|
A:GLU81
|
3.4
|
21.7
|
1.0
|
|
HG21
|
A:VAL178
|
3.4
|
48.0
|
1.0
|
|
HB3
|
A:ASP175
|
3.5
|
22.7
|
1.0
|
|
CD
|
A:GLU81
|
3.6
|
23.4
|
1.0
|
|
C19
|
A:B6E405
|
3.6
|
16.2
|
1.0
|
|
C21
|
A:B6E405
|
3.6
|
18.5
|
1.0
|
|
O
|
A:HOH592
|
3.7
|
29.9
|
1.0
|
|
HA
|
A:GLU81
|
3.8
|
27.9
|
1.0
|
|
HB
|
A:VAL178
|
3.8
|
47.4
|
1.0
|
|
HB2
|
A:GLU81
|
3.8
|
26.4
|
1.0
|
|
C17
|
A:B6E405
|
4.0
|
20.1
|
1.0
|
|
O
|
A:ASP175
|
4.1
|
23.0
|
1.0
|
|
CB
|
A:GLU81
|
4.1
|
22.0
|
1.0
|
|
C20
|
A:B6E405
|
4.1
|
16.4
|
1.0
|
|
CG2
|
A:VAL178
|
4.1
|
40.0
|
1.0
|
|
HG2
|
A:GLU81
|
4.1
|
26.0
|
1.0
|
|
HG23
|
A:VAL178
|
4.1
|
48.0
|
1.0
|
|
HD12
|
A:ILE84
|
4.2
|
25.9
|
1.0
|
|
HD12
|
A:LEU186
|
4.3
|
24.6
|
1.0
|
|
HG11
|
A:VAL178
|
4.3
|
47.9
|
1.0
|
|
H11
|
A:B6E405
|
4.3
|
21.9
|
1.0
|
|
CB
|
A:VAL178
|
4.4
|
39.5
|
1.0
|
|
CA
|
A:GLU81
|
4.4
|
23.2
|
1.0
|
|
CB
|
A:ASP175
|
4.5
|
18.9
|
1.0
|
|
HG21
|
A:ILE84
|
4.5
|
24.6
|
1.0
|
|
H13
|
A:B6E405
|
4.5
|
19.5
|
1.0
|
|
H14
|
A:B6E405
|
4.5
|
22.2
|
1.0
|
|
OE2
|
A:GLU81
|
4.5
|
25.2
|
1.0
|
|
HB
|
A:ILE84
|
4.6
|
23.2
|
1.0
|
|
HD13
|
A:ILE84
|
4.6
|
25.9
|
1.0
|
|
HG
|
A:LEU85
|
4.6
|
27.0
|
1.0
|
|
N3
|
A:B6E405
|
4.6
|
18.2
|
1.0
|
|
CG
|
A:LEU183
|
4.7
|
30.0
|
1.0
|
|
HB2
|
A:ASP175
|
4.7
|
22.7
|
1.0
|
|
CD1
|
A:ILE84
|
4.8
|
21.6
|
1.0
|
|
O1
|
A:B6E405
|
4.9
|
16.9
|
1.0
|
|
CG1
|
A:VAL178
|
4.9
|
39.9
|
1.0
|
|
HD21
|
A:LEU85
|
4.9
|
27.9
|
1.0
|
|
HD11
|
A:LEU85
|
4.9
|
29.6
|
1.0
|
|
HG22
|
A:VAL178
|
5.0
|
48.0
|
1.0
|
|
HB3
|
A:GLU81
|
5.0
|
26.4
|
1.0
|
|
HG
|
A:LEU183
|
5.0
|
36.0
|
1.0
|
|
O
|
A:GLU81
|
5.0
|
21.6
|
1.0
|
|
Fluorine binding site 5 out
of 8 in 6eim
Go back to
Fluorine Binding Sites List in 6eim
Fluorine binding site 5 out
of 8 in the Human STK10 Bound to GW683134A
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Human STK10 Bound to GW683134A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F402
b:21.0
occ:1.00
|
F1
|
B:B6E402
|
0.0
|
21.0
|
1.0
|
|
C24
|
B:B6E402
|
1.3
|
20.4
|
1.0
|
|
F3
|
B:B6E402
|
2.1
|
19.7
|
1.0
|
|
F2
|
B:B6E402
|
2.1
|
22.7
|
1.0
|
|
C20
|
B:B6E402
|
2.3
|
13.6
|
1.0
|
|
H13
|
B:B6E402
|
2.6
|
17.3
|
1.0
|
|
C19
|
B:B6E402
|
2.8
|
14.4
|
1.0
|
|
HB2
|
B:ASP175
|
3.0
|
21.0
|
1.0
|
|
HD2
|
B:HIS155
|
3.1
|
17.8
|
1.0
|
|
HG
|
B:LEU173
|
3.4
|
19.1
|
1.0
|
|
HG23
|
B:ILE93
|
3.4
|
16.9
|
1.0
|
|
C21
|
B:B6E402
|
3.5
|
18.0
|
1.0
|
|
HA
|
B:ALA174
|
3.6
|
15.9
|
1.0
|
|
O
|
B:LEU173
|
3.6
|
12.3
|
1.0
|
|
C
|
B:ALA174
|
3.7
|
13.9
|
1.0
|
|
CD2
|
B:HIS155
|
3.8
|
14.8
|
1.0
|
|
HD12
|
B:ILE93
|
3.8
|
27.8
|
1.0
|
|
H14
|
B:B6E402
|
3.8
|
21.6
|
1.0
|
|
HE2
|
B:HIS155
|
3.9
|
17.7
|
1.0
|
|
N
|
B:ASP175
|
3.9
|
14.4
|
1.0
|
|
CB
|
B:ASP175
|
3.9
|
17.5
|
1.0
|
|
O
|
B:ALA174
|
4.0
|
13.7
|
1.0
|
|
HD11
|
B:LEU148
|
4.0
|
19.4
|
1.0
|
|
CA
|
B:ALA174
|
4.0
|
13.3
|
1.0
|
|
C
|
B:LEU173
|
4.0
|
11.4
|
1.0
|
|
H
|
B:ASP175
|
4.1
|
17.3
|
1.0
|
|
HD23
|
B:LEU173
|
4.1
|
19.7
|
1.0
|
|
NE2
|
B:HIS155
|
4.1
|
14.8
|
1.0
|
|
C18
|
B:B6E402
|
4.2
|
14.5
|
1.0
|
|
CG
|
B:LEU173
|
4.2
|
15.9
|
1.0
|
|
HB3
|
B:LEU173
|
4.2
|
16.6
|
1.0
|
|
N
|
B:ALA174
|
4.3
|
12.6
|
1.0
|
|
CG2
|
B:ILE93
|
4.3
|
14.1
|
1.0
|
|
HB3
|
B:ASP175
|
4.3
|
21.0
|
1.0
|
|
HG22
|
B:VAL94
|
4.4
|
16.4
|
1.0
|
|
HG21
|
B:ILE93
|
4.4
|
16.9
|
1.0
|
|
O1
|
B:B6E402
|
4.5
|
15.4
|
1.0
|
|
CA
|
B:ASP175
|
4.5
|
16.6
|
1.0
|
|
CD2
|
B:LEU173
|
4.6
|
16.4
|
1.0
|
|
CB
|
B:LEU173
|
4.7
|
13.8
|
1.0
|
|
HD21
|
B:LEU148
|
4.7
|
19.3
|
1.0
|
|
HD21
|
B:LEU173
|
4.7
|
19.7
|
1.0
|
|
C22
|
B:B6E402
|
4.7
|
19.2
|
1.0
|
|
HG22
|
B:ILE93
|
4.7
|
16.9
|
1.0
|
|
CD1
|
B:ILE93
|
4.7
|
23.1
|
1.0
|
|
HD13
|
B:LEU148
|
4.8
|
19.4
|
1.0
|
|
OD2
|
B:ASP175
|
4.8
|
20.4
|
1.0
|
|
CD1
|
B:LEU148
|
4.8
|
16.2
|
1.0
|
|
CG
|
B:ASP175
|
4.8
|
19.8
|
1.0
|
|
HD13
|
B:ILE93
|
4.9
|
27.8
|
1.0
|
|
H
|
B:ALA174
|
4.9
|
15.1
|
1.0
|
|
C23
|
B:B6E402
|
4.9
|
19.3
|
1.0
|
|
CG
|
B:HIS155
|
4.9
|
13.3
|
1.0
|
|
HA
|
B:ASP175
|
4.9
|
19.9
|
1.0
|
|
Fluorine binding site 6 out
of 8 in 6eim
Go back to
Fluorine Binding Sites List in 6eim
Fluorine binding site 6 out
of 8 in the Human STK10 Bound to GW683134A
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Human STK10 Bound to GW683134A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F402
b:22.7
occ:1.00
|
F2
|
B:B6E402
|
0.0
|
22.7
|
1.0
|
|
C24
|
B:B6E402
|
1.3
|
20.4
|
1.0
|
|
F1
|
B:B6E402
|
2.1
|
21.0
|
1.0
|
|
F3
|
B:B6E402
|
2.1
|
19.7
|
1.0
|
|
C20
|
B:B6E402
|
2.3
|
13.6
|
1.0
|
|
HG23
|
B:ILE93
|
2.8
|
16.9
|
1.0
|
|
HG21
|
B:ILE93
|
3.0
|
16.9
|
1.0
|
|
C19
|
B:B6E402
|
3.1
|
14.4
|
1.0
|
|
H13
|
B:B6E402
|
3.1
|
17.3
|
1.0
|
|
C21
|
B:B6E402
|
3.3
|
18.0
|
1.0
|
|
CG2
|
B:ILE93
|
3.3
|
14.1
|
1.0
|
|
HD21
|
B:LEU148
|
3.4
|
19.3
|
1.0
|
|
HD12
|
B:ILE93
|
3.5
|
27.8
|
1.0
|
|
H14
|
B:B6E402
|
3.5
|
21.6
|
1.0
|
|
HD23
|
B:LEU85
|
3.8
|
23.2
|
1.0
|
|
HG22
|
B:ILE93
|
3.8
|
16.9
|
1.0
|
|
HD11
|
B:LEU148
|
3.9
|
19.4
|
1.0
|
|
HG22
|
B:ILE84
|
3.9
|
18.9
|
1.0
|
|
HB3
|
B:CYS88
|
4.0
|
25.2
|
1.0
|
|
HB2
|
B:CYS88
|
4.1
|
25.2
|
1.0
|
|
HD22
|
B:LEU148
|
4.2
|
19.3
|
1.0
|
|
CD2
|
B:LEU148
|
4.2
|
16.1
|
1.0
|
|
SG
|
B:CYS88
|
4.3
|
23.4
|
1.0
|
|
CB
|
B:CYS88
|
4.3
|
21.0
|
1.0
|
|
HD21
|
B:LEU85
|
4.3
|
23.2
|
1.0
|
|
C18
|
B:B6E402
|
4.4
|
14.5
|
1.0
|
|
CD1
|
B:ILE93
|
4.4
|
23.1
|
1.0
|
|
HG21
|
B:ILE84
|
4.4
|
18.9
|
1.0
|
|
CD2
|
B:LEU85
|
4.5
|
19.4
|
1.0
|
|
C22
|
B:B6E402
|
4.5
|
19.2
|
1.0
|
|
HG22
|
B:VAL94
|
4.5
|
16.4
|
1.0
|
|
HB2
|
B:ASP175
|
4.5
|
21.0
|
1.0
|
|
HG13
|
B:ILE93
|
4.5
|
24.0
|
1.0
|
|
CG2
|
B:ILE84
|
4.6
|
15.7
|
1.0
|
|
O
|
B:LEU173
|
4.6
|
12.3
|
1.0
|
|
CB
|
B:ILE93
|
4.6
|
14.4
|
1.0
|
|
HD13
|
B:LEU148
|
4.7
|
19.4
|
1.0
|
|
CD1
|
B:LEU148
|
4.7
|
16.2
|
1.0
|
|
HD2
|
B:HIS155
|
4.7
|
17.8
|
1.0
|
|
CG1
|
B:ILE93
|
4.7
|
20.0
|
1.0
|
|
HG23
|
B:ILE84
|
4.8
|
18.9
|
1.0
|
|
HD23
|
B:LEU148
|
4.8
|
19.3
|
1.0
|
|
HA
|
B:LEU85
|
4.9
|
19.5
|
1.0
|
|
C23
|
B:B6E402
|
4.9
|
19.3
|
1.0
|
|
HD11
|
B:ILE93
|
4.9
|
27.8
|
1.0
|
|
HD13
|
B:ILE93
|
4.9
|
27.8
|
1.0
|
|
HD22
|
B:LEU85
|
5.0
|
23.2
|
1.0
|
|
Fluorine binding site 7 out
of 8 in 6eim
Go back to
Fluorine Binding Sites List in 6eim
Fluorine binding site 7 out
of 8 in the Human STK10 Bound to GW683134A
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Human STK10 Bound to GW683134A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F402
b:19.7
occ:1.00
|
F3
|
B:B6E402
|
0.0
|
19.7
|
1.0
|
|
C24
|
B:B6E402
|
1.3
|
20.4
|
1.0
|
|
F1
|
B:B6E402
|
2.1
|
21.0
|
1.0
|
|
F2
|
B:B6E402
|
2.1
|
22.7
|
1.0
|
|
C20
|
B:B6E402
|
2.3
|
13.6
|
1.0
|
|
H14
|
B:B6E402
|
2.4
|
21.6
|
1.0
|
|
C21
|
B:B6E402
|
2.7
|
18.0
|
1.0
|
|
HD11
|
B:LEU148
|
3.0
|
19.4
|
1.0
|
|
HD2
|
B:HIS155
|
3.2
|
17.8
|
1.0
|
|
HD13
|
B:LEU148
|
3.2
|
19.4
|
1.0
|
|
HD21
|
B:LEU148
|
3.5
|
19.3
|
1.0
|
|
CD1
|
B:LEU148
|
3.6
|
16.2
|
1.0
|
|
C19
|
B:B6E402
|
3.6
|
14.4
|
1.0
|
|
HD22
|
B:LEU148
|
3.6
|
19.3
|
1.0
|
|
HB2
|
B:ASP175
|
3.6
|
21.0
|
1.0
|
|
CD2
|
B:HIS155
|
3.8
|
14.8
|
1.0
|
|
CD2
|
B:LEU148
|
4.0
|
16.1
|
1.0
|
|
H13
|
B:B6E402
|
4.0
|
17.3
|
1.0
|
|
C22
|
B:B6E402
|
4.1
|
19.2
|
1.0
|
|
HA
|
B:HIS155
|
4.1
|
15.2
|
1.0
|
|
HD12
|
B:ILE93
|
4.2
|
27.8
|
1.0
|
|
HB2
|
B:HIS155
|
4.3
|
16.6
|
1.0
|
|
HG21
|
B:ILE153
|
4.3
|
21.7
|
1.0
|
|
HD12
|
B:LEU148
|
4.3
|
19.4
|
1.0
|
|
OD2
|
B:ASP175
|
4.4
|
20.4
|
1.0
|
|
CG
|
B:LEU148
|
4.4
|
14.1
|
1.0
|
|
HG22
|
B:ILE153
|
4.4
|
21.7
|
1.0
|
|
HG23
|
B:ILE93
|
4.5
|
16.9
|
1.0
|
|
HG21
|
B:ILE84
|
4.5
|
18.9
|
1.0
|
|
CG
|
B:HIS155
|
4.5
|
13.3
|
1.0
|
|
CB
|
B:ASP175
|
4.5
|
17.5
|
1.0
|
|
HD23
|
B:LEU173
|
4.5
|
19.7
|
1.0
|
|
HG
|
B:LEU173
|
4.7
|
19.1
|
1.0
|
|
NE2
|
B:HIS155
|
4.7
|
14.8
|
1.0
|
|
HG22
|
B:ILE84
|
4.7
|
18.9
|
1.0
|
|
C18
|
B:B6E402
|
4.7
|
14.5
|
1.0
|
|
CB
|
B:HIS155
|
4.7
|
13.8
|
1.0
|
|
H15
|
B:B6E402
|
4.8
|
23.1
|
1.0
|
|
HB3
|
B:ASP175
|
4.8
|
21.0
|
1.0
|
|
HE2
|
B:HIS155
|
4.8
|
17.7
|
1.0
|
|
CG2
|
B:ILE153
|
4.8
|
18.1
|
1.0
|
|
HG21
|
B:ILE93
|
4.8
|
16.9
|
1.0
|
|
HD23
|
B:LEU148
|
4.8
|
19.3
|
1.0
|
|
CA
|
B:HIS155
|
4.9
|
12.7
|
1.0
|
|
C23
|
B:B6E402
|
4.9
|
19.3
|
1.0
|
|
CG
|
B:ASP175
|
4.9
|
19.8
|
1.0
|
|
HG
|
B:LEU148
|
5.0
|
16.9
|
1.0
|
|
CG2
|
B:ILE84
|
5.0
|
15.7
|
1.0
|
|
Fluorine binding site 8 out
of 8 in 6eim
Go back to
Fluorine Binding Sites List in 6eim
Fluorine binding site 8 out
of 8 in the Human STK10 Bound to GW683134A
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Human STK10 Bound to GW683134A within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F402
b:20.1
occ:1.00
|
F
|
B:B6E402
|
0.0
|
20.1
|
1.0
|
|
C23
|
B:B6E402
|
1.3
|
19.3
|
1.0
|
|
H12
|
B:B6E402
|
2.2
|
18.5
|
1.0
|
|
C18
|
B:B6E402
|
2.3
|
14.5
|
1.0
|
|
C22
|
B:B6E402
|
2.4
|
19.2
|
1.0
|
|
H15
|
B:B6E402
|
2.6
|
23.1
|
1.0
|
|
N4
|
B:B6E402
|
2.7
|
15.4
|
1.0
|
|
HG3
|
B:GLU81
|
2.7
|
21.3
|
1.0
|
|
HD21
|
B:LEU183
|
2.9
|
29.4
|
1.0
|
|
HD22
|
B:LEU183
|
3.1
|
29.4
|
1.0
|
|
CD2
|
B:LEU183
|
3.3
|
24.5
|
1.0
|
|
OE1
|
B:GLU81
|
3.3
|
17.5
|
1.0
|
|
CG
|
B:GLU81
|
3.5
|
17.8
|
1.0
|
|
HD23
|
B:LEU183
|
3.5
|
29.4
|
1.0
|
|
HB3
|
B:ASP175
|
3.6
|
21.0
|
1.0
|
|
C19
|
B:B6E402
|
3.6
|
14.4
|
1.0
|
|
CD
|
B:GLU81
|
3.6
|
18.0
|
1.0
|
|
C21
|
B:B6E402
|
3.6
|
18.0
|
1.0
|
|
HA
|
B:GLU81
|
3.7
|
22.0
|
1.0
|
|
O
|
B:HOH598
|
3.8
|
24.5
|
1.0
|
|
HB2
|
B:GLU81
|
3.9
|
21.4
|
1.0
|
|
C17
|
B:B6E402
|
4.0
|
14.7
|
1.0
|
|
O
|
B:ASP175
|
4.0
|
20.5
|
1.0
|
|
C20
|
B:B6E402
|
4.1
|
13.6
|
1.0
|
|
CB
|
B:GLU81
|
4.1
|
17.8
|
1.0
|
|
HD12
|
B:ILE84
|
4.2
|
23.9
|
1.0
|
|
HG2
|
B:GLU81
|
4.2
|
21.3
|
1.0
|
|
H11
|
B:B6E402
|
4.3
|
19.9
|
1.0
|
|
HD12
|
B:LEU186
|
4.4
|
20.9
|
1.0
|
|
CA
|
B:GLU81
|
4.4
|
18.3
|
1.0
|
|
H13
|
B:B6E402
|
4.5
|
17.3
|
1.0
|
|
H14
|
B:B6E402
|
4.5
|
21.6
|
1.0
|
|
CB
|
B:ASP175
|
4.5
|
17.5
|
1.0
|
|
OE2
|
B:GLU81
|
4.5
|
19.5
|
1.0
|
|
HB
|
B:ILE84
|
4.6
|
19.2
|
1.0
|
|
HG
|
B:LEU85
|
4.6
|
22.8
|
1.0
|
|
O
|
B:HOH539
|
4.6
|
27.3
|
1.0
|
|
HG21
|
B:ILE84
|
4.6
|
18.9
|
1.0
|
|
HD13
|
B:ILE84
|
4.6
|
23.9
|
1.0
|
|
N3
|
B:B6E402
|
4.6
|
16.6
|
1.0
|
|
HB
|
B:VAL178
|
4.6
|
31.8
|
1.0
|
|
HB2
|
B:ASP175
|
4.7
|
21.0
|
1.0
|
|
CG
|
B:LEU183
|
4.8
|
26.6
|
1.0
|
|
O1
|
B:B6E402
|
4.8
|
15.4
|
1.0
|
|
HD11
|
B:LEU183
|
4.9
|
35.5
|
1.0
|
|
CD1
|
B:ILE84
|
4.9
|
19.9
|
1.0
|
|
HD21
|
B:LEU85
|
4.9
|
23.2
|
1.0
|
|
HD11
|
B:LEU85
|
5.0
|
24.2
|
1.0
|
|
O
|
B:GLU81
|
5.0
|
15.7
|
1.0
|
|
HD11
|
B:LEU186
|
5.0
|
20.9
|
1.0
|
|
Reference:
F.J.Sorrell,
J.M.Elkins.
Human STK10 Bound to GW683134 To Be Published.
Page generated: Thu Aug 1 19:34:28 2024
|
