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DUS3_HUMAN_2_185

Dual specificity protein phosphatase 3 [Protein-tyrosine phosphatase family. Non-receptor class dual specificity subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (DUS3_HUMAN):D: Tyrosine-protein phosphatase (124:130, 161:164)
23, 25:28, 41, 69, 92, 94
23, 25:28, 41, 69, 92, 94, 124:130, 161:164

Full PDB list

1j4x, 1vhr, 3f81

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
Y
2
3
L
2
5
P
2
6
S
2
7
Q
2
8
N
4
1
M
6
9
D
9
2
Q
9
4
C
1
2
4
R
1
2
5
E
1
2
6
G
1
2
7
Y
1
2
8
S
1
2
9
R
1
3
0
G
1
6
1
P
1
6
2
N
1
6
3
D
1
6
4
[1]1j4x.a DDEahp.tpoGptrVATR96 . . . . . . . . . S . . . . . . . . . .
[1]1vhr.a none . . . . . . . . . . . . . . . . . . . .
[1]3f81.a stt14 . . . . . . . . . . . . . . . . . . . .

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
Y
2
3
L
2
5
P
2
6
S
2
7
Q
2
8
N
4
1
M
6
9
D
9
2
Q
9
4
C
1
2
4
R
1
2
5
E
1
2
6
G
1
2
7
Y
1
2
8
S
1
2
9
R
1
3
0
G
1
6
1
P
1
6
2
N
1
6
3
D
1
6
4
[1]1j4x.a . . . . . . . . . S . . . . . . . . . .
[1]1vhr.a . . . . . . . . . . . . . . . . . . . .
[1]3f81.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
1j4x.a:DDEahp.tpoGptrVATR
1vhr.a is apo
3f81.a:stt
[1] 1j4x.a
1.3
- 0.1
[1] 1vhr.a 1.2
-
0.1
[1] 3f81.a 0.8 -
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
1j4x.a
1vhr.a
3f81.a
[1] 1j4x.a
0
.06 .04
[1] 1vhr.a .06
0
.03
[1] 3f81.a .04 .03
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.3 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
1j4x.a
1vhr.a
3f81.a
[1] 1j4x.a
0
0.5 0.6
[1] 1vhr.a 0.5
0
0.2
[1] 3f81.a 0.6 0.2
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.2 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
1j4x.a
1vhr.a
3f81.a
[1] 1j4x.a
0
0.9 0.9
[1] 1vhr.a 0.9
0
0.3
[1] 3f81.a 0.9 0.3
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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