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ULK1_HUMAN_1_283

Serine/threonine-protein kinase ULK1 [Protein kinase superfamily. Ser/Thr protein kinase family. APG1/unc-51/ULK1 subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ULK1_HUMAN):D: Protein kinase (22, 23, 30, 44, 46, 76, 92:96, 98, 99, 142, 143, 145, 164, 165)22, 23, 30, 44, 46, 76, 92:96, 98, 99, 142, 143, 145, 164, 165

Full PDB list

4wno, 4wnp, 5ci7

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
I
2
2
G
2
3
V
3
0
A
4
4
K
4
6
V
7
6
M
9
2
E
9
3
Y
9
4
C
9
5
N
9
6
G
9
8
D
9
9
Q
1
4
2
N
1
4
3
L
1
4
5
A
1
6
4
D
1
6
5
[1]4wno.a 3rf27 . . . . . . . . . . . . . . . . . .
[1]4wnp.d 3rj30 . . . . . . . . . . . . . . . . . .
[1]5ci7.a 51w27 . . . . . . . . . . . . . . . . . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Site contact map

[download in TSV format]
   
PDB.ch
A1
I
2
2
G
2
3
V
3
0
A
4
4
K
4
6
V
7
6
M
9
2
E
9
3
Y
9
4
C
9
5
N
9
6
G
9
8
D
9
9
Q
1
4
2
N
1
4
3
L
1
4
5
A
1
6
4
D
1
6
5
[1]4wno.a . . . . . . . . . . . . . . . . . .
[1]4wnp.d . . . . . . . . . . . . . . . . . .
[1]5ci7.a . . . . . . . . . . . . . . . . . *

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X X X X X  clash
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Pocket-ligand steric compatibility

Ligands (x) vs pockets (y) colored by number of steric clashes

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
4wno.a:3rf
4wnp.d:3rj
5ci7.a:51w
[1] 4wno.a
0
0.6 0.2
[1] 4wnp.d 0
0
0.2
[1] 5ci7.a 0.2 1.2
0.1
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

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pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
4wno.a
4wnp.d
5ci7.a
[1] 4wno.a
0
.03 .05
[1] 4wnp.d .03
0
.08
[1] 5ci7.a .05 .08
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.7 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone atoms

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
4wno.a
4wnp.d
5ci7.a
[1] 4wno.a
0
0.3 0.3
[1] 4wnp.d 0.3
0
0.3
[1] 5ci7.a 0.3 0.3
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.3 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue atoms

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
4wno.a
4wnp.d
5ci7.a
[1] 4wno.a
0
0.7 0.7
[1] 4wnp.d 0.7
0
0.9
[1] 5ci7.a 0.7 0.9
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

L C X E | Background Color: | Anaglyph Stereo:

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