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KPCT_HUMAN_367_706

Protein kinase C theta type [Protein kinase superfamily. AGC Ser/Thr protein kinase family. PKC subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (KPCT_HUMAN):D: Protein kinase (386:389, 391, 394, 407, 409, 428, 442, 458:462, 464, 465, 508, 509, 511, 521, 522)386:389, 391, 394, 407, 409, 428, 442, 458:462, 464, 465, 508, 509, 511, 521, 522, 663, 664, 668

Full PDB list

1xjd, 2jed, 4q9z, 4ra5, 5f9e

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
3
8
6
G
3
8
7
K
3
8
8
G
3
8
9
F
3
9
1
V
3
9
4
A
4
0
7
K
4
0
9
E
4
2
8
T
4
4
2
M
4
5
8
E
4
5
9
Y
4
6
0
L
4
6
1
G
4
6
4
D
4
6
5
D
5
0
8
N
5
0
9
L
5
1
1
A
5
2
1
D
5
2
2
F
6
6
4
F
6
6
8
[1]1xjd.a stu35 . . . . . . . . . . . . . . . . . . . . . . -
[1]2jed.a lg834 . . . . . . . . . . . . . . . . . . . . . . .
[1]4q9z.a pzw22 . . . . . . . . . . . . . . . . . . . . . . .
[1]4ra5.a 3l030 . . . . . . . . . . . . . . . . . . . . . . .
[1]5f9e.a 5vs30 . . . . . . . . . . . . . . . . . . . . . . .

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
L
3
8
6
G
3
8
7
K
3
8
8
G
3
8
9
F
3
9
1
V
3
9
4
A
4
0
7
K
4
0
9
E
4
2
8
T
4
4
2
M
4
5
8
E
4
5
9
Y
4
6
0
L
4
6
1
N
4
6
2
G
4
6
4
D
4
6
5
D
5
0
8
N
5
0
9
L
5
1
1
A
5
2
1
D
5
2
2
N
6
6
3
F
6
6
4
F
6
6
8
[1]1xjd.a . * . . . . . . . . . . . . . . . . . . . . * . -
[1]2jed.a . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4q9z.a . . . . . . . * . . . . . . . . * . . . . . . * .
[1]4ra5.a . . . . . . . * . . . . . . . . . . . . . * . * .
[1]5f9e.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
1xjd.a:stu
2jed.a:lg8
4q9z.a:pzw
4ra5.a:3l0
5f9e.a:5vs
[1] 1xjd.a
0.1
2.0 1.3 2.1 1.0
[1] 2jed.a 1.8
0
0.4 0.8 0.6
[1] 4q9z.a 3.9 3.5
0
0.7 0.9
[1] 4ra5.a 3.6 3.5 0
0
1.3
[1] 5f9e.a 3.8 1.9 0 0.9
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
1xjd.a
2jed.a
4q9z.a
4ra5.a
5f9e.a
[1] 1xjd.a
0
.20 .32 .28 .28
[1] 2jed.a .20
0
.22 .23 .15
[1] 4q9z.a .32 .22
0
.06 .10
[1] 4ra5.a .28 .23 .06
0
.14
[1] 5f9e.a .28 .15 .10 .14
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.6 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
1xjd.a
2jed.a
4q9z.a
4ra5.a
5f9e.a
[1] 1xjd.a
0
11 11 11 11
[1] 2jed.a 11
0
1.2 1.5 1.2
[1] 4q9z.a 11 1.2
0
0.8 0.5
[1] 4ra5.a 11 1.5 0.8
0
0.9
[1] 5f9e.a 11 1.2 0.5 0.9
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.2 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
1xjd.a
2jed.a
4q9z.a
4ra5.a
5f9e.a
[1] 1xjd.a
0
11 11 11 11
[1] 2jed.a 11
0
1.6 1.9 1.6
[1] 4q9z.a 11 1.6
0
0.9 1.0
[1] 4ra5.a 11 1.9 0.9
0
1.2
[1] 5f9e.a 11 1.6 1.0 1.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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