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MP2K7_HUMAN_102_417

Dual specificity mitogen-activated protein kinase kinase 7 [Protein kinase superfamily. STE Ser/Thr protein kinase family. MAP kinase kinase subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (MP2K7_HUMAN):D: Protein kinase (126:132, 134, 147, 149, 180, 196:199, 201, 202, 205, 247, 250)126:132, 134, 147, 149, 180, 196:199, 201, 202, 205, 247, 250

Full PDB list

2dyl, 3wzu, 5b2k, 5b2l, 5b2m, 5y8u, 5y90 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
M
1
2
6
G
1
2
9
T
1
3
0
V
1
3
4
A
1
4
7
K
1
4
9
M
1
9
6
E
1
9
7
M
1
9
9
C
2
0
2
K
2
0
5
S
2
4
7
L
2
5
0
[1]3wzu.a 1fm26 . . . . . . . . . . . . .
[1]5y90.a none . . . . . . . . . S . . .
[2]5b2k.a none . . - . . . . . . . . . .
[2]5y8u.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

[download in TSV format]
   
PDB.ch
A1
M
1
2
6
G
1
2
7
S
1
2
8
G
1
2
9
T
1
3
0
C
1
3
1
G
1
3
2
V
1
3
4
A
1
4
7
K
1
4
9
V
1
8
0
M
1
9
6
E
1
9
7
L
1
9
8
M
1
9
9
T
2
0
1
C
2
0
2
K
2
0
5
S
2
4
7
L
2
5
0
[1]3wzu.a . . . . . . . . . . . . . . . . . . . .
[1]5y90.a . . . . * . . . . . . . . . . . S * . .
[2]5b2k.a . . * * - . . . . . . . . . . . . . . .
[2]5y8u.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
3wzu.a:1fm
5y90.a is apo
5b2k.a is apo
5y8u.a is apo
[1] 3wzu.a
0.5
- - -
[1] 5y90.a 2.5
-
- -
[2] 5b2k.a 5.4 -
-
-
[2] 5y8u.a 9.2 - -
-
[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
3wzu.a
5y90.a
5b2k.a
5y8u.a
[1] 3wzu.a
0
.13 .27 .42
[1] 5y90.a .13
0
.34 .44
[2] 5b2k.a .27 .34
0
.21
[2] 5y8u.a .42 .44 .21
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 2.5 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
3wzu.a
5y90.a
5b2k.a
5y8u.a
[1] 3wzu.a
0
1.9 2.6 3.0
[1] 5y90.a 1.9
0
3.0 3.2
[2] 5b2k.a 2.6 3.0
0
1.4
[2] 5y8u.a 3.0 3.2 1.4
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 2.3 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
3wzu.a
5y90.a
5b2k.a
5y8u.a
[1] 3wzu.a
0
2.4 2.7 3.0
[1] 5y90.a 2.4
0
3.2 3.2
[2] 5b2k.a 2.7 3.2
0
1.5
[2] 5y8u.a 3.0 3.2 1.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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