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CSKP_HUMAN_1_338

Peripheral plasma membrane protein CASK [MAGUK family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CSKP_HUMAN):D: Protein kinase (18:22, 24, 26, 39, 41, 75, 91:94, 145, 148, 161:163)
316
18:22, 24, 26, 39, 41, 75, 91:94, 145, 148, 161:163, 305:316

Full PDB list

3c0g, 3c0h, 3c0i, 3mfr, 3mfs, 3mft, 3mfu, 3tac (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1
I
1
8
G
1
9
G
2
1
S
2
4
V
2
6
A
3
9
K
4
1
V
7
5
F
9
1
E
9
2
F
9
3
M
9
4
H
1
4
5
L
1
4
8
G
1
6
2
[1]3c0g.a 3am23 . . . . . . . . . . . . . . .
[1]3c0h.a amp23 . . . . . . . . . . . . . . .
[1]3mfs.a anp31 . . . . . . . . . . . . E . D
[1]3mft.a none . . . . . . . . . . . . E . D
[2]3tac.a none . . . . . . . . . . . . . . .

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

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PDB.ch
A1
I
1
8
G
1
9
K
2
0
G
2
1
P
2
2
S
2
4
V
2
6
A
3
9
K
4
1
V
7
5
F
9
1
E
9
2
F
9
3
M
9
4
H
1
4
5
L
1
4
8
G
1
6
1
G
1
6
2
F
1
6
3
K
3
0
5
G
3
0
6
A
3
0
7
V
3
0
8
L
3
0
9
A
3
1
0
A
3
1
1
V
3
1
2
S
3
1
3
S
3
1
4
H
3
1
5
K
3
1
6
[1]3c0g.a . . . . . . . . . . . . . . * . . . . . - - . . . . . . - - -
[1]3c0h.a . . . . . . . . . . . . . . . . . . . - - - - - - - - - - - -
[1]3mfs.a . . . . A . . . . . . . . . E . . D . . . - - - - - - - - - -
[1]3mft.a . . . . A . . . . . . . . . E . . D . . . - - - - - - - - - -
[2]3tac.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
3c0g.a:3am
3c0h.a:amp
3mfs.a:anp
3mft.a is apo
3tac.a is apo
[1] 3c0g.a
0
0.2 1.1 - -
[1] 3c0h.a 0.1
0
0.5 - -
[1] 3mfs.a 0.9 0.1
0.2
- -
[1] 3mft.a 1.4 0 0.2
-
-
[2] 3tac.a 14 12 17 -
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 clusters)

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
3c0g.a
3c0h.a
3mfs.a
3mft.a
3tac.a
[1] 3c0g.a
0
.03 .07 .08 .80
[1] 3c0h.a .03
0
.04 .06 .78
[1] 3mfs.a .07 .04
0
.03 .79
[1] 3mft.a .08 .06 .03
0
.81
[2] 3tac.a .80 .78 .79 .81
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.9 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
3c0g.a
3c0h.a
3mfs.a
3mft.a
3tac.a
[1] 3c0g.a
0
0.4 1.1 0.8 7.8
[1] 3c0h.a 0.4
0
0.5 0.5 1.6
[1] 3mfs.a 1.1 0.5
0
1.0 3.5
[1] 3mft.a 0.8 0.5 1.0
0
3.3
[2] 3tac.a 7.8 1.6 3.5 3.3
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.8 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
3c0g.a
3c0h.a
3mfs.a
3mft.a
3tac.a
[1] 3c0g.a
0
0.5 1.3 1.2 7.4
[1] 3c0h.a 0.5
0
0.5 0.6 1.6
[1] 3mfs.a 1.3 0.5
0
0.9 3.8
[1] 3mft.a 1.2 0.6 0.9
0
3.6
[2] 3tac.a 7.4 1.6 3.8 3.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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