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CSK22_HUMAN_1_348

Casein kinase II subunit alpha' [Protein kinase superfamily. Ser/Thr protein kinase family. CK2 subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CSK22_HUMAN):D: Protein kinase (44, 46:50, 52, 54, 67, 69, 96, 114:119, 164, 175, 176)44, 46:50, 52, 54, 67, 69, 96, 114:119, 164, 175, 176

Full PDB list

3e3b, 3ofm, 5m4u, 5m56, 5ooi (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
R
4
4
L
4
6
G
4
7
R
4
8
G
4
9
V
5
4
V
6
7
K
6
9
I
9
6
F
1
1
4
E
1
1
5
Y
1
1
6
I
1
1
7
N
1
1
9
M
1
6
4
I
1
7
5
D
1
7
6
[1]3e3b.x cck28 . . . . . . . . . . . . . . . . .
[1]3ofm.a 4b017 . . . . . . . . . . . . . . . . .
[1]5m56.b 7fc23 . . . . . . . . . . . . . . . . .
[1]5ooi.a 9ye27 . . . . . . . . . . . . . . . . .

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
R
4
4
L
4
6
G
4
7
R
4
8
G
4
9
K
5
0
S
5
2
V
5
4
V
6
7
K
6
9
I
9
6
F
1
1
4
E
1
1
5
Y
1
1
6
I
1
1
7
N
1
1
8
N
1
1
9
M
1
6
4
I
1
7
5
D
1
7
6
[1]3e3b.x . . . . . . . . . . . . . . . . . . . .
[1]3ofm.a . . . . . . . . . . . . . . . . . . . .
[1]5m56.b . . . * . . . . . . . . . . . . . . . .
[1]5ooi.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
3e3b.x:cck
3ofm.a:4b0
5m56.b:7fc
5ooi.a:9ye
[1] 3e3b.x
0.2
0.2 0.5 0
[1] 3ofm.a 0.1
0.1
0.3 0
[1] 5m56.b 3.3 0.9
0.1
2.0
[1] 5ooi.a 0.2 0.1 0.5
0
[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
3e3b.x
3ofm.a
5m56.b
5ooi.a
[1] 3e3b.x
0
.01 .19 .02
[1] 3ofm.a .01
0
.18 .01
[1] 5m56.b .19 .18
0
.19
[1] 5ooi.a .02 .01 .19
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.4 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
3e3b.x
3ofm.a
5m56.b
5ooi.a
[1] 3e3b.x
0
0.7 3.0 1.2
[1] 3ofm.a 0.7
0
2.9 1.0
[1] 5m56.b 3.0 2.9
0
2.6
[1] 5ooi.a 1.2 1.0 2.6
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.1 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue 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
3e3b.x
3ofm.a
5m56.b
5ooi.a
[1] 3e3b.x
0
1.2 3.6 1.6
[1] 3ofm.a 1.2
0
3.6 1.3
[1] 5m56.b 3.6 3.6
0
3.0
[1] 5ooi.a 1.6 1.3 3.0
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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