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KC1G3_HUMAN_34_360

Casein kinase I isoform gamma-3 [Protein kinase superfamily. CK1 Ser/Thr protein kinase family. Casein kinase I subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (KC1G3_HUMAN):D: Protein kinase (49:51, 53, 54, 56, 57, 70, 72, 86, 100, 116:122, 125, 166, 167, 169, 184, 185)
R: Inhibitors binding (117:122, 125)
331:333
49:51, 53, 54, 56, 57, 70, 72, 86, 100, 116:122, 125, 166, 167, 169, 184, 185, 331:333

Full PDB list

2chl, 2izr, 2izs, 2izt, 2izu, 4g16, 4g17, 4hgl, 4hgs

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
I
4
9
G
5
0
N
5
3
F
5
4
L
5
7
A
7
0
K
7
2
E
8
6
P
1
0
0
L
1
1
6
E
1
1
7
L
1
1
8
L
1
1
9
G
1
2
0
P
1
2
1
D
1
2
5
E
1
6
6
N
1
6
7
L
1
6
9
I
1
8
4
D
1
8
5
P
3
3
1
T
3
3
2
P
3
3
3
[1]2chl.a dki28 . . . . . . . . . . . . . . . . . . . . . . . .
[1]2izr.a brk25 . . . . . . . . . . . . . . . . . . . . . . . .
[1]2izs.a brq23 . . . . . . . . . . . . . . . . . . . . . . . .
[1]2izt.a 23d21 . . - . . . . . . . . . . . . . . . . . . . . .
[1]2izu.a p0127 . . - . . . . . . . . . . . . . . . . . . . . .
[1]4g16.a 0vm29 . . . . . . . . . . . . . . . . . . . . . . . .
[1]4g17.a 0vn22 . . . . . . . . . . . . . . . . . . . . . . . .
[1]4hgl.a 0yo28 . . . . . . . . . . . . . . . . . . . . . . . .
[1]4hgs.a 15g28 . . . . . . . . . . . . . . . . . . . . . . . .

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
4
9
G
5
0
C
5
1
N
5
3
F
5
4
E
5
6
L
5
7
A
7
0
K
7
2
E
8
6
P
1
0
0
L
1
1
6
E
1
1
7
L
1
1
8
L
1
1
9
G
1
2
0
P
1
2
1
S
1
2
2
D
1
2
5
E
1
6
6
N
1
6
7
L
1
6
9
I
1
8
4
D
1
8
5
P
3
3
1
T
3
3
2
P
3
3
3
[1]2chl.a . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2izr.a . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2izs.a . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2izt.a . . . - . . . . . . . . . . . . . . . . . . * . . . .
[1]2izu.a . . . - . . . . . . . . . . . . . . . . . . * . . . .
[1]4g16.a . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4g17.a . . . . . . . . . . . . . . . . . . . . . . * . . . .
[1]4hgl.a . . . . . . . . . . . . . . . . . . . . . . * . . . .
[1]4hgs.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
2chl.a:dki
2izr.a:brk
2izs.a:brq
2izt.a:23d
2izu.a:p01
4g16.a:0vm
4g17.a:0vn
4hgl.a:0yo
4hgs.a:15g
[1] 2chl.a
0
0.4 0.4 0.9 1.1 0.6 0.5 1.1 1.0
[1] 2izr.a 0.3
0
0.1 0.5 0.6 0.5 0.4 0.4 0.4
[1] 2izs.a 0.8 0.1
0
0.6 0.5 0.7 1.0 1.3 0.9
[1] 2izt.a 0.7 0.4 0.2
0
0.2 0.7 0.8 0.8 0.4
[1] 2izu.a 0.6 0.5 0.2 0
0
0.6 0.6 0.9 0.3
[1] 4g16.a 0.4 0.6 0.3 0.2 0.2
0.1
0.1 0.1 0
[1] 4g17.a 0.8 0.6 0.4 0.2 0.2 0.2
0.1
0.3 0
[1] 4hgl.a 0.6 0.6 0.3 0.1 0.1 0.2 0.2
0.2
0
[1] 4hgs.a 0.7 0.6 0.2 0.1 0 0.1 0.2 0.2
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
2chl.a
2izr.a
2izs.a
2izt.a
2izu.a
4g16.a
4g17.a
4hgl.a
4hgs.a
[1] 2chl.a
0
.04 .08 .05 .07 .07 .07 .07 .08
[1] 2izr.a .04
0
.06 .06 .07 .06 .06 .07 .07
[1] 2izs.a .08 .06
0
.08 .07 .09 .09 .10 .10
[1] 2izt.a .05 .06 .08
0
.02 .07 .06 .05 .05
[1] 2izu.a .07 .07 .07 .02
0
.07 .06 .05 .05
[1] 4g16.a .07 .06 .09 .07 .07
0
.02 .02 .03
[1] 4g17.a .07 .06 .09 .06 .06 .02
0
.01 .02
[1] 4hgl.a .07 .07 .10 .05 .05 .02 .01
0
.01
[1] 4hgs.a .08 .07 .10 .05 .05 .03 .02 .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.0 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
2chl.a
2izr.a
2izs.a
2izt.a
2izu.a
4g16.a
4g17.a
4hgl.a
4hgs.a
[1] 2chl.a
0
2.5 2.4 0.7 0.7 2.2 2.2 2.2 2.2
[1] 2izr.a 2.5
0
1.1 2.3 2.2 0.6 0.7 0.5 0.6
[1] 2izs.a 2.4 1.1
0
2.2 2.1 1.1 1.1 1.1 0.9
[1] 2izt.a 0.7 2.3 2.2
0
0.5 2.1 2.1 2.1 2.1
[1] 2izu.a 0.7 2.2 2.1 0.5
0
2.0 2.0 2.1 2.0
[1] 4g16.a 2.2 0.6 1.1 2.1 2.0
0
0.3 0.3 0.4
[1] 4g17.a 2.2 0.7 1.1 2.1 2.0 0.3
0
0.4 0.4
[1] 4hgl.a 2.2 0.5 1.1 2.1 2.1 0.3 0.4
0
0.5
[1] 4hgs.a 2.2 0.6 0.9 2.1 2.0 0.4 0.4 0.5
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
2chl.a
2izr.a
2izs.a
2izt.a
2izu.a
4g16.a
4g17.a
4hgl.a
4hgs.a
[1] 2chl.a
0
2.8 2.6 0.9 0.9 3.2 3.2 3.2 3.2
[1] 2izr.a 2.8
0
0.9 2.1 2.2 0.6 0.7 0.6 0.7
[1] 2izs.a 2.6 0.9
0
2.0 2.1 1.0 1.0 1.0 0.8
[1] 2izt.a 0.9 2.1 2.0
0
0.7 2.2 2.2 2.2 2.1
[1] 2izu.a 0.9 2.2 2.1 0.7
0
2.2 2.2 2.2 2.1
[1] 4g16.a 3.2 0.6 1.0 2.2 2.2
0
0.6 0.3 0.8
[1] 4g17.a 3.2 0.7 1.0 2.2 2.2 0.6
0
0.5 0.6
[1] 4hgl.a 3.2 0.6 1.0 2.2 2.2 0.3 0.5
0
0.8
[1] 4hgs.a 3.2 0.7 0.8 2.1 2.1 0.8 0.6 0.8
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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