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E2AK3_HUMAN_581_1092

Eukaryotic translation initiation factor 2-alpha kinase 3 [Protein kinase superfamily. Ser/Thr protein kinase family. GCN2 subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (E2AK3_HUMAN):D: Protein kinase (599, 607, 620:622, 624, 636, 639, 640, 642, 643, 646, 651, 652, 886, 888:893, 928, 933, 935, 944, 953:956, 958)599, 607, 620:622, 624, 636, 639, 640, 642, 643, 646, 651, 652, 886, 888:893, 928, 933, 935, 944, 953:956, 958

Full PDB list

4x7h, 4x7j, 4x7k, 4x7l, 4x7n; 4g31, 4g34, 4m7i, 4x7o (unprocessed)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
5
9
9
V
6
0
7
A
6
2
0
I
6
2
1
K
6
2
2
I
6
2
4
E
6
3
9
A
6
4
2
L
6
4
3
L
6
4
6
I
6
5
1
V
6
5
2
I
8
8
6
M
8
8
8
Q
8
8
9
L
8
9
0
C
8
9
1
R
8
9
2
K
8
9
3
L
9
2
8
L
9
3
3
H
9
3
5
F
9
4
4
G
9
5
4
D
9
5
5
F
9
5
6
L
9
5
8
[1]4x7h.a 3z243 . . . . . . . . . . . . . . . . . . . . . . . . . . -
[1]4x7j.a 3z135 . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4x7k.a 3z342 . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4x7l.a 3z440 . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4x7n.a 3z540 . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
5
9
9
V
6
0
7
A
6
2
0
I
6
2
1
K
6
2
2
I
6
2
4
V
6
3
6
E
6
3
9
V
6
4
0
A
6
4
2
L
6
4
3
L
6
4
6
I
6
5
1
V
6
5
2
I
8
8
6
M
8
8
8
Q
8
8
9
L
8
9
0
C
8
9
1
R
8
9
2
K
8
9
3
L
9
2
8
L
9
3
3
H
9
3
5
F
9
4
4
V
9
5
3
G
9
5
4
D
9
5
5
F
9
5
6
L
9
5
8
[1]4x7h.a . . . . . . . . . . . . . . . * . . . . . . . . . . . . . -
[1]4x7j.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . *
[1]4x7k.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . *
[1]4x7l.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . *
[1]4x7n.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
4x7h.a:3z2
4x7j.a:3z1
4x7k.a:3z3
4x7l.a:3z4
4x7n.a:3z5
[1] 4x7h.a
0
1.0 1.2 1.2 1.2
[1] 4x7j.a 1.9
0
0.3 0.6 0.4
[1] 4x7k.a 1.5 0.1
0
0.1 0
[1] 4x7l.a 1.9 0.2 0
0
0.1
[1] 4x7n.a 1.8 0.1 0 0
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
4x7h.a
4x7j.a
4x7k.a
4x7l.a
4x7n.a
[1] 4x7h.a
0
.10 .08 .09 .09
[1] 4x7j.a .10
0
.03 .02 .03
[1] 4x7k.a .08 .03
0
.01 .01
[1] 4x7l.a .09 .02 .01
0
.02
[1] 4x7n.a .09 .03 .01 .02
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
4x7h.a
4x7j.a
4x7k.a
4x7l.a
4x7n.a
[1] 4x7h.a
0
0.5 0.4 0.4 0.4
[1] 4x7j.a 0.5
0
0.2 0.3 0.3
[1] 4x7k.a 0.4 0.2
0
0.1 0.2
[1] 4x7l.a 0.4 0.3 0.1
0
0.2
[1] 4x7n.a 0.4 0.3 0.2 0.2
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

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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
4x7h.a
4x7j.a
4x7k.a
4x7l.a
4x7n.a
[1] 4x7h.a
0
1.6 1.6 1.7 1.8
[1] 4x7j.a 1.6
0
0.8 0.9 0.9
[1] 4x7k.a 1.6 0.8
0
0.3 0.3
[1] 4x7l.a 1.7 0.9 0.3
0
0.5
[1] 4x7n.a 1.8 0.9 0.3 0.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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