Fluorine in PDB 6qas: Crystal Structure of ULK1 in Complexed with Pf-03814735
Enzymatic activity of Crystal Structure of ULK1 in Complexed with Pf-03814735
All present enzymatic activity of Crystal Structure of ULK1 in Complexed with Pf-03814735:
2.7.11.1;
Protein crystallography data
The structure of Crystal Structure of ULK1 in Complexed with Pf-03814735, PDB code: 6qas
was solved by
A.Chaikuad,
C.H.Arrowsmith,
A.M.Edwards,
C.Bountra,
S.Knapp,
Structuralgenomics Consortium,
Structural Genomics Consortium (Sgc),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
47.47 /
1.75
|
Space group
|
P 43 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
74.241,
74.241,
222.310,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17 /
19.7
|
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of ULK1 in Complexed with Pf-03814735
(pdb code 6qas). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the
Crystal Structure of ULK1 in Complexed with Pf-03814735, PDB code: 6qas:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Fluorine binding site 1 out
of 9 in 6qas
Go back to
Fluorine Binding Sites List in 6qas
Fluorine binding site 1 out
of 9 in the Crystal Structure of ULK1 in Complexed with Pf-03814735
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 ULK1 in Complexed with Pf-03814735 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F318
b:22.9
occ:1.00
|
F32
|
A:34W318
|
0.0
|
22.9
|
1.0
|
C31
|
A:34W318
|
1.3
|
23.1
|
1.0
|
F33
|
A:34W318
|
2.1
|
22.2
|
1.0
|
F34
|
A:34W318
|
2.1
|
24.0
|
1.0
|
C23
|
A:34W318
|
2.3
|
20.6
|
1.0
|
N26
|
A:34W318
|
3.0
|
24.4
|
1.0
|
C24
|
A:34W318
|
3.0
|
22.5
|
1.0
|
C22
|
A:34W318
|
3.4
|
22.0
|
1.0
|
O
|
A:HOH535
|
3.6
|
31.4
|
1.0
|
CG1
|
A:VAL30
|
3.6
|
23.4
|
1.0
|
CB
|
A:ALA44
|
3.7
|
23.2
|
1.0
|
O
|
A:HOH451
|
3.9
|
33.9
|
1.0
|
N25
|
A:34W318
|
4.2
|
21.4
|
1.0
|
CG2
|
A:VAL30
|
4.2
|
24.9
|
1.0
|
CG
|
A:MET92
|
4.3
|
32.4
|
1.0
|
C27
|
A:34W318
|
4.3
|
28.5
|
1.0
|
CE
|
A:MET92
|
4.3
|
22.4
|
1.0
|
CB
|
A:MET92
|
4.5
|
25.6
|
1.0
|
CB
|
A:VAL30
|
4.5
|
24.5
|
1.0
|
N21
|
A:34W318
|
4.6
|
21.7
|
1.0
|
O
|
A:HOH439
|
4.7
|
31.4
|
1.0
|
C20
|
A:34W318
|
4.8
|
23.3
|
1.0
|
CE
|
A:LYS46
|
4.8
|
32.0
|
1.0
|
C30
|
A:34W318
|
4.9
|
31.2
|
1.0
|
CD
|
A:LYS46
|
4.9
|
29.9
|
1.0
|
CA
|
A:ALA44
|
4.9
|
22.3
|
1.0
|
CB
|
A:LYS46
|
4.9
|
22.9
|
1.0
|
O
|
A:ALA44
|
5.0
|
22.9
|
1.0
|
C
|
A:ALA44
|
5.0
|
23.2
|
1.0
|
|
Fluorine binding site 2 out
of 9 in 6qas
Go back to
Fluorine Binding Sites List in 6qas
Fluorine binding site 2 out
of 9 in the Crystal Structure of ULK1 in Complexed with Pf-03814735
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 ULK1 in Complexed with Pf-03814735 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F318
b:22.2
occ:1.00
|
F33
|
A:34W318
|
0.0
|
22.2
|
1.0
|
C31
|
A:34W318
|
1.3
|
23.1
|
1.0
|
F32
|
A:34W318
|
2.1
|
22.9
|
1.0
|
F34
|
A:34W318
|
2.1
|
24.0
|
1.0
|
C23
|
A:34W318
|
2.3
|
20.6
|
1.0
|
C22
|
A:34W318
|
2.7
|
22.0
|
1.0
|
CB
|
A:MET92
|
3.2
|
25.6
|
1.0
|
CG1
|
A:VAL76
|
3.5
|
25.5
|
1.0
|
CG
|
A:MET92
|
3.5
|
32.4
|
1.0
|
O
|
A:GLU93
|
3.6
|
21.1
|
1.0
|
C24
|
A:34W318
|
3.7
|
22.5
|
1.0
|
CB
|
A:ALA44
|
3.7
|
23.2
|
1.0
|
CE
|
A:MET92
|
3.7
|
22.4
|
1.0
|
N21
|
A:34W318
|
4.0
|
21.7
|
1.0
|
N26
|
A:34W318
|
4.2
|
24.4
|
1.0
|
SD
|
A:MET92
|
4.4
|
35.7
|
1.0
|
O
|
A:HOH439
|
4.4
|
31.4
|
1.0
|
CB
|
A:VAL76
|
4.5
|
23.8
|
1.0
|
CA
|
A:MET92
|
4.6
|
22.4
|
1.0
|
CD1
|
A:LEU145
|
4.6
|
22.2
|
1.0
|
O
|
A:HOH451
|
4.6
|
33.9
|
1.0
|
N25
|
A:34W318
|
4.7
|
21.4
|
1.0
|
CG2
|
A:VAL76
|
4.7
|
26.6
|
1.0
|
C
|
A:MET92
|
4.7
|
21.8
|
1.0
|
C20
|
A:34W318
|
4.8
|
23.3
|
1.0
|
C
|
A:GLU93
|
4.8
|
21.2
|
1.0
|
O
|
A:ALA44
|
4.9
|
22.9
|
1.0
|
CA
|
A:ALA44
|
5.0
|
22.3
|
1.0
|
O
|
A:HOH535
|
5.0
|
31.4
|
1.0
|
|
Fluorine binding site 3 out
of 9 in 6qas
Go back to
Fluorine Binding Sites List in 6qas
Fluorine binding site 3 out
of 9 in the Crystal Structure of ULK1 in Complexed with Pf-03814735
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 ULK1 in Complexed with Pf-03814735 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F318
b:24.0
occ:1.00
|
F34
|
A:34W318
|
0.0
|
24.0
|
1.0
|
C31
|
A:34W318
|
1.3
|
23.1
|
1.0
|
F33
|
A:34W318
|
2.1
|
22.2
|
1.0
|
F32
|
A:34W318
|
2.1
|
22.9
|
1.0
|
C23
|
A:34W318
|
2.3
|
20.6
|
1.0
|
O
|
A:HOH451
|
3.0
|
33.9
|
1.0
|
C24
|
A:34W318
|
3.1
|
22.5
|
1.0
|
O
|
A:HOH535
|
3.1
|
31.4
|
1.0
|
N26
|
A:34W318
|
3.2
|
24.4
|
1.0
|
C22
|
A:34W318
|
3.3
|
22.0
|
1.0
|
CD1
|
A:LEU145
|
3.4
|
22.2
|
1.0
|
O
|
A:HOH439
|
3.6
|
31.4
|
1.0
|
CB
|
A:ALA164
|
3.8
|
18.2
|
1.0
|
N25
|
A:34W318
|
4.3
|
21.4
|
1.0
|
CG1
|
A:VAL76
|
4.3
|
25.5
|
1.0
|
CE
|
A:MET92
|
4.3
|
22.4
|
1.0
|
N21
|
A:34W318
|
4.5
|
21.7
|
1.0
|
CG2
|
A:VAL76
|
4.5
|
26.6
|
1.0
|
C27
|
A:34W318
|
4.6
|
28.5
|
1.0
|
O
|
A:HOH499
|
4.7
|
29.7
|
1.0
|
CB
|
A:VAL76
|
4.7
|
23.8
|
1.0
|
CG
|
A:LEU145
|
4.7
|
21.4
|
1.0
|
C20
|
A:34W318
|
4.8
|
23.3
|
1.0
|
CA
|
A:ALA164
|
4.9
|
17.9
|
1.0
|
|
Fluorine binding site 4 out
of 9 in 6qas
Go back to
Fluorine Binding Sites List in 6qas
Fluorine binding site 4 out
of 9 in the Crystal Structure of ULK1 in Complexed with Pf-03814735
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 ULK1 in Complexed with Pf-03814735 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F315
b:24.2
occ:1.00
|
F32
|
B:34W315
|
0.0
|
24.2
|
1.0
|
C31
|
B:34W315
|
1.3
|
24.4
|
1.0
|
F34
|
B:34W315
|
2.1
|
24.1
|
1.0
|
F33
|
B:34W315
|
2.1
|
25.5
|
1.0
|
C23
|
B:34W315
|
2.3
|
21.1
|
1.0
|
C22
|
B:34W315
|
2.6
|
22.8
|
1.0
|
CB
|
B:MET92
|
3.3
|
20.6
|
1.0
|
O
|
B:GLU93
|
3.4
|
21.3
|
1.0
|
CG2
|
B:VAL76
|
3.4
|
20.1
|
0.5
|
CG1
|
B:VAL76
|
3.5
|
24.2
|
0.5
|
CB
|
B:ALA44
|
3.6
|
20.5
|
1.0
|
C24
|
B:34W315
|
3.6
|
25.5
|
1.0
|
CE
|
B:MET92
|
3.7
|
23.9
|
1.0
|
SD
|
B:MET92
|
3.8
|
24.3
|
1.0
|
N21
|
B:34W315
|
4.0
|
21.2
|
1.0
|
CG
|
B:MET92
|
4.2
|
21.9
|
1.0
|
N26
|
B:34W315
|
4.2
|
26.7
|
1.0
|
CG2
|
B:VAL76
|
4.3
|
23.1
|
0.5
|
O
|
B:HOH427
|
4.3
|
22.1
|
1.0
|
CA
|
B:MET92
|
4.5
|
19.1
|
1.0
|
C
|
B:GLU93
|
4.5
|
22.4
|
1.0
|
CD1
|
B:LEU145
|
4.5
|
26.5
|
1.0
|
C
|
B:MET92
|
4.5
|
20.1
|
1.0
|
CB
|
B:VAL76
|
4.5
|
23.0
|
0.5
|
CB
|
B:VAL76
|
4.5
|
19.9
|
0.5
|
CG1
|
B:VAL76
|
4.6
|
18.2
|
0.5
|
N25
|
B:34W315
|
4.7
|
24.0
|
1.0
|
C20
|
B:34W315
|
4.8
|
24.2
|
1.0
|
N
|
B:GLU93
|
4.8
|
20.8
|
1.0
|
O
|
B:ALA44
|
4.8
|
20.4
|
1.0
|
CA
|
B:ALA44
|
4.8
|
19.8
|
1.0
|
O
|
B:HOH553
|
4.9
|
35.5
|
1.0
|
O
|
B:MET92
|
4.9
|
19.8
|
1.0
|
|
Fluorine binding site 5 out
of 9 in 6qas
Go back to
Fluorine Binding Sites List in 6qas
Fluorine binding site 5 out
of 9 in the Crystal Structure of ULK1 in Complexed with Pf-03814735
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 ULK1 in Complexed with Pf-03814735 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F315
b:25.5
occ:1.00
|
F33
|
B:34W315
|
0.0
|
25.5
|
1.0
|
C31
|
B:34W315
|
1.3
|
24.4
|
1.0
|
F34
|
B:34W315
|
2.1
|
24.1
|
1.0
|
F32
|
B:34W315
|
2.1
|
24.2
|
1.0
|
C23
|
B:34W315
|
2.3
|
21.1
|
1.0
|
O
|
B:HOH553
|
3.0
|
35.5
|
1.0
|
C24
|
B:34W315
|
3.1
|
25.5
|
1.0
|
N26
|
B:34W315
|
3.1
|
26.7
|
1.0
|
O
|
B:HOH427
|
3.2
|
22.1
|
1.0
|
C22
|
B:34W315
|
3.3
|
22.8
|
1.0
|
CD1
|
B:LEU145
|
3.4
|
26.5
|
1.0
|
CB
|
B:ALA164
|
3.6
|
20.3
|
1.0
|
CG2
|
B:VAL76
|
4.1
|
20.1
|
0.5
|
CG2
|
B:VAL76
|
4.1
|
23.1
|
0.5
|
CG1
|
B:VAL76
|
4.2
|
24.2
|
0.5
|
CE
|
B:MET92
|
4.3
|
23.9
|
1.0
|
N25
|
B:34W315
|
4.3
|
24.0
|
1.0
|
C27
|
B:34W315
|
4.4
|
32.6
|
1.0
|
SD
|
B:MET92
|
4.5
|
24.3
|
1.0
|
CG1
|
B:VAL76
|
4.5
|
18.2
|
0.5
|
N21
|
B:34W315
|
4.5
|
21.2
|
1.0
|
O
|
B:HOH470
|
4.6
|
32.8
|
1.0
|
CB
|
B:VAL76
|
4.6
|
23.0
|
0.5
|
CB
|
B:VAL76
|
4.6
|
19.9
|
0.5
|
CG
|
B:LEU145
|
4.7
|
24.6
|
1.0
|
C20
|
B:34W315
|
4.8
|
24.2
|
1.0
|
CA
|
B:ALA164
|
4.8
|
19.5
|
1.0
|
C28
|
B:34W315
|
4.9
|
33.6
|
1.0
|
|
Fluorine binding site 6 out
of 9 in 6qas
Go back to
Fluorine Binding Sites List in 6qas
Fluorine binding site 6 out
of 9 in the Crystal Structure of ULK1 in Complexed with Pf-03814735
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 ULK1 in Complexed with Pf-03814735 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F315
b:24.1
occ:1.00
|
F34
|
B:34W315
|
0.0
|
24.1
|
1.0
|
C31
|
B:34W315
|
1.3
|
24.4
|
1.0
|
F33
|
B:34W315
|
2.1
|
25.5
|
1.0
|
F32
|
B:34W315
|
2.1
|
24.2
|
1.0
|
C23
|
B:34W315
|
2.3
|
21.1
|
1.0
|
N26
|
B:34W315
|
2.9
|
26.7
|
1.0
|
C24
|
B:34W315
|
2.9
|
25.5
|
1.0
|
CE
|
B:MET92
|
3.4
|
23.9
|
1.0
|
C22
|
B:34W315
|
3.4
|
22.8
|
1.0
|
O
|
B:HOH553
|
3.5
|
35.5
|
1.0
|
CB
|
B:ALA44
|
3.6
|
20.5
|
1.0
|
CG1
|
B:VAL30
|
3.8
|
22.8
|
1.0
|
O
|
B:HOH427
|
4.1
|
22.1
|
1.0
|
N25
|
B:34W315
|
4.2
|
24.0
|
1.0
|
C27
|
B:34W315
|
4.2
|
32.6
|
1.0
|
SD
|
B:MET92
|
4.4
|
24.3
|
1.0
|
CE
|
B:LYS46
|
4.4
|
25.7
|
1.0
|
CG2
|
B:VAL30
|
4.5
|
22.8
|
1.0
|
CB
|
B:MET92
|
4.6
|
20.6
|
1.0
|
N21
|
B:34W315
|
4.6
|
21.2
|
1.0
|
CB
|
B:VAL30
|
4.7
|
21.9
|
1.0
|
C28
|
B:34W315
|
4.8
|
33.6
|
1.0
|
C20
|
B:34W315
|
4.8
|
24.2
|
1.0
|
CA
|
B:ALA44
|
4.9
|
19.8
|
1.0
|
CB
|
B:LYS46
|
4.9
|
20.3
|
1.0
|
O
|
B:ALA44
|
4.9
|
20.4
|
1.0
|
CD1
|
B:LEU145
|
5.0
|
26.5
|
1.0
|
C30
|
B:34W315
|
5.0
|
31.3
|
1.0
|
|
Fluorine binding site 7 out
of 9 in 6qas
Go back to
Fluorine Binding Sites List in 6qas
Fluorine binding site 7 out
of 9 in the Crystal Structure of ULK1 in Complexed with Pf-03814735
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Crystal Structure of ULK1 in Complexed with Pf-03814735 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F316
b:49.9
occ:1.00
|
F32
|
B:34W316
|
0.0
|
49.9
|
1.0
|
C31
|
B:34W316
|
1.3
|
48.4
|
1.0
|
F33
|
B:34W316
|
2.1
|
53.4
|
1.0
|
F34
|
B:34W316
|
2.2
|
47.3
|
1.0
|
C23
|
B:34W316
|
2.4
|
44.0
|
1.0
|
C22
|
B:34W316
|
2.7
|
43.6
|
1.0
|
C10
|
B:34W315
|
3.1
|
34.3
|
1.0
|
CB
|
B:ASP102
|
3.3
|
29.7
|
1.0
|
O
|
B:HOH408
|
3.5
|
41.4
|
1.0
|
C24
|
B:34W316
|
3.7
|
44.2
|
1.0
|
OD2
|
B:ASP102
|
3.8
|
39.8
|
1.0
|
C11
|
B:34W315
|
3.9
|
34.5
|
1.0
|
CG
|
B:ASP102
|
4.0
|
32.9
|
1.0
|
N21
|
B:34W316
|
4.1
|
42.1
|
1.0
|
O
|
A:HOH516
|
4.3
|
45.5
|
1.0
|
N26
|
B:34W316
|
4.3
|
44.6
|
1.0
|
O
|
B:HOH507
|
4.5
|
40.1
|
1.0
|
C09
|
B:34W315
|
4.5
|
37.9
|
1.0
|
CA
|
B:ASP102
|
4.6
|
27.4
|
1.0
|
O
|
B:GLY97
|
4.7
|
28.4
|
1.0
|
CA
|
B:GLY98
|
4.7
|
26.4
|
1.0
|
O
|
A:HOH532
|
4.7
|
47.6
|
1.0
|
C
|
B:ASP102
|
4.7
|
26.5
|
1.0
|
N25
|
B:34W316
|
4.8
|
39.2
|
1.0
|
C20
|
B:34W316
|
4.8
|
44.7
|
1.0
|
N
|
B:ASP99
|
4.9
|
25.2
|
1.0
|
|
Fluorine binding site 8 out
of 9 in 6qas
Go back to
Fluorine Binding Sites List in 6qas
Fluorine binding site 8 out
of 9 in the Crystal Structure of ULK1 in Complexed with Pf-03814735
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Crystal Structure of ULK1 in Complexed with Pf-03814735 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F316
b:53.4
occ:1.00
|
F33
|
B:34W316
|
0.0
|
53.4
|
1.0
|
C31
|
B:34W316
|
1.4
|
48.4
|
1.0
|
F32
|
B:34W316
|
2.1
|
49.9
|
1.0
|
F34
|
B:34W316
|
2.2
|
47.3
|
1.0
|
C23
|
B:34W316
|
2.4
|
44.0
|
1.0
|
C11
|
B:34W315
|
3.0
|
34.5
|
1.0
|
N26
|
B:34W316
|
3.1
|
44.6
|
1.0
|
C24
|
B:34W316
|
3.1
|
44.2
|
1.0
|
O
|
B:GLY97
|
3.1
|
28.4
|
1.0
|
C10
|
B:34W315
|
3.2
|
34.3
|
1.0
|
C22
|
B:34W316
|
3.4
|
43.6
|
1.0
|
C
|
B:GLY97
|
3.5
|
28.1
|
1.0
|
O
|
A:HOH516
|
3.6
|
45.5
|
1.0
|
CA
|
B:GLY98
|
3.7
|
26.4
|
1.0
|
N
|
B:GLY98
|
3.8
|
25.5
|
1.0
|
ND1
|
A:HIS105
|
4.2
|
35.7
|
1.0
|
CE1
|
A:HIS105
|
4.2
|
36.0
|
1.0
|
N25
|
B:34W316
|
4.3
|
39.2
|
1.0
|
O
|
B:HOH408
|
4.3
|
41.4
|
1.0
|
C27
|
B:34W316
|
4.4
|
44.8
|
1.0
|
CA
|
B:GLY97
|
4.5
|
26.8
|
1.0
|
C12
|
B:34W315
|
4.6
|
38.9
|
1.0
|
N21
|
B:34W316
|
4.6
|
42.1
|
1.0
|
C
|
B:GLY98
|
4.6
|
25.3
|
1.0
|
C09
|
B:34W315
|
4.7
|
37.9
|
1.0
|
N
|
B:ASP99
|
4.8
|
25.2
|
1.0
|
C20
|
B:34W316
|
4.8
|
44.7
|
1.0
|
C13
|
B:34W315
|
4.9
|
32.8
|
1.0
|
C28
|
B:34W316
|
4.9
|
46.9
|
1.0
|
CB
|
B:ASP102
|
5.0
|
29.7
|
1.0
|
|
Fluorine binding site 9 out
of 9 in 6qas
Go back to
Fluorine Binding Sites List in 6qas
Fluorine binding site 9 out
of 9 in the Crystal Structure of ULK1 in Complexed with Pf-03814735
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Crystal Structure of ULK1 in Complexed with Pf-03814735 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F316
b:47.3
occ:1.00
|
F34
|
B:34W316
|
0.0
|
47.3
|
1.0
|
C31
|
B:34W316
|
1.4
|
48.4
|
1.0
|
F32
|
B:34W316
|
2.2
|
49.9
|
1.0
|
F33
|
B:34W316
|
2.2
|
53.4
|
1.0
|
C23
|
B:34W316
|
2.4
|
44.0
|
1.0
|
O
|
B:GLY97
|
3.0
|
28.4
|
1.0
|
N26
|
B:34W316
|
3.1
|
44.6
|
1.0
|
C24
|
B:34W316
|
3.1
|
44.2
|
1.0
|
CB
|
B:ASP102
|
3.3
|
29.7
|
1.0
|
O
|
B:ASP99
|
3.4
|
23.5
|
1.0
|
C22
|
B:34W316
|
3.5
|
43.6
|
1.0
|
N
|
B:ASP99
|
3.5
|
25.2
|
1.0
|
O
|
B:HOH408
|
3.5
|
41.4
|
1.0
|
CA
|
B:GLY98
|
3.7
|
26.4
|
1.0
|
N
|
B:TYR103
|
3.7
|
25.2
|
1.0
|
C
|
B:GLY98
|
3.8
|
25.3
|
1.0
|
C
|
B:GLY97
|
3.9
|
28.1
|
1.0
|
C
|
B:ASP102
|
4.0
|
26.5
|
1.0
|
CA
|
B:ASP102
|
4.2
|
27.4
|
1.0
|
N
|
B:GLY98
|
4.2
|
25.5
|
1.0
|
C10
|
B:34W315
|
4.3
|
34.3
|
1.0
|
C
|
B:ASP99
|
4.3
|
23.9
|
1.0
|
CA
|
B:TYR103
|
4.4
|
25.5
|
1.0
|
N25
|
B:34W316
|
4.4
|
39.2
|
1.0
|
C27
|
B:34W316
|
4.4
|
44.8
|
1.0
|
CG
|
B:ASP102
|
4.4
|
32.9
|
1.0
|
OD2
|
B:ASP102
|
4.5
|
39.8
|
1.0
|
CA
|
B:ASP99
|
4.5
|
26.2
|
1.0
|
CB
|
B:TYR103
|
4.6
|
26.2
|
1.0
|
N21
|
B:34W316
|
4.7
|
42.1
|
1.0
|
O
|
B:ASP102
|
4.7
|
24.8
|
1.0
|
C11
|
B:34W315
|
4.7
|
34.5
|
1.0
|
O
|
B:GLY98
|
4.8
|
28.1
|
1.0
|
N
|
B:ASP102
|
4.8
|
24.3
|
1.0
|
C30
|
B:34W316
|
4.9
|
44.0
|
1.0
|
C20
|
B:34W316
|
5.0
|
44.7
|
1.0
|
|
Reference:
A.Chaikuad,
S.E.Koschade,
A.Stolz,
K.Zivkovic,
C.Pohl,
S.Shaid,
H.Ren,
L.J.Lambert,
N.D.P.Cosford,
C.H.Brandts,
S.Knapp.
Conservation of Structure, Function and Inhibitor Binding in Unc-51-Like Kinase 1 and 2 (ULK1/2). Biochem.J. V. 476 875 2019.
ISSN: ESSN 1470-8728
PubMed: 30782972
DOI: 10.1042/BCJ20190038
Page generated: Fri Aug 2 00:45:35 2024
|