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PIM2_HUMAN_1_311_ATPsite

Serine/threonine-protein kinase pim-2 [Protein kinase superfamily. CAMK Ser/Thr protein kinase family. PIM subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (PIM2_HUMAN):D: Protein kinase (38, 39, 43, 46, 59, 61, 100, 116:119, 122, 124, 167, 170, 181, 182)38, 39, 43, 46, 59, 61, 100, 116:119, 122, 124, 167, 170, 181, 182

Full PDB list

2iwi, 4x7q

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
3
8
G
3
9
F
4
3
V
4
6
A
5
9
K
6
1
I
1
0
0
L
1
1
6
E
1
1
7
R
1
1
8
A
1
2
2
D
1
2
4
E
1
6
7
L
1
7
0
I
1
8
1
D
1
8
2
[1]2iwi.a hb130 . . . . . . . . . . . . . . . .
[1]4x7q.b 3yr28 . . . . . . . . . . . . . . . .

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
G
3
9
F
4
3
V
4
6
A
5
9
K
6
1
I
1
0
0
L
1
1
6
E
1
1
7
R
1
1
8
P
1
1
9
A
1
2
2
D
1
2
4
E
1
6
7
L
1
7
0
I
1
8
1
D
1
8
2
[1]2iwi.a . . . . . . . . . . . . . . . . .
[1]4x7q.b . . . . . . . . . . . . . . . . .

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
2iwi.a:hb1
4x7q.b:3yr
[1] 2iwi.a
0
0.4
[1] 4x7q.b 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
2iwi.a
4x7q.b
[1] 2iwi.a
0
.04
[1] 4x7q.b .04
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.4 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
2iwi.a
4x7q.b
[1] 2iwi.a
0
0.5
[1] 4x7q.b 0.5
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.3 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
2iwi.a
4x7q.b
[1] 2iwi.a
0
0.8
[1] 4x7q.b 0.8
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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