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E2AK2_HUMAN_255_551_ATPsite

Interferon-induced, double-stranded RNA-activated protein kinase [Protein kinase superfamily. Ser/Thr protein kinase family. GCN2 subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (E2AK2_HUMAN):R: Interaction with TRAF5 (273:276, 279, 281, 294, 296, 366:370, 373, 376, 414, 418, 419, 421, 432)
D: Protein kinase (273:276, 279, 281, 294, 296, 366:370, 373, 376, 414, 418, 419, 421, 432)
273:276, 279, 281, 294, 296, 366:370, 373, 376, 414, 418, 419, 421, 432

Full PDB list

2a19, 2a1a, 3uiu

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
I
2
7
3
G
2
7
4
V
2
8
1
V
2
9
4
K
2
9
6
M
3
6
6
E
3
6
7
F
3
6
8
C
3
6
9
N
4
1
9
F
4
2
1
D
4
3
2
[1]2a19.b anp,mg32 . . . . . . . . . . . .
[1]2a19.c anp,mg,mg33 . . . . . . . . . . . .
[1]2a1a.b none . . . . . . . . . . . .
[1]3uiu.a none . . . . R . . . . . . .

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
I
2
7
3
G
2
7
4
S
2
7
5
G
2
7
6
G
2
7
9
V
2
8
1
V
2
9
4
K
2
9
6
M
3
6
6
E
3
6
7
F
3
6
8
C
3
6
9
D
3
7
0
T
3
7
3
Q
3
7
6
D
4
1
4
S
4
1
8
N
4
1
9
F
4
2
1
D
4
3
2
[1]2a19.b . . . . . . . . . . . . . . . . . . . .
[1]2a19.c . . . . . . . . . . . . . . - . . . . .
[1]2a1a.b . . . . . . . . . . . . . . . . . . . .
[1]3uiu.a . . . . . . . R . . . . . . . . . . . .

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
2a19.b:anp,mg
2a19.c:anp,mg
2a1a.b is apo
3uiu.a is apo
[1] 2a19.b
0.1
1.3 - -
[1] 2a19.c 0.5
0.1
- -
[1] 2a1a.b 0.7 1.2
-
-
[1] 3uiu.a 0.5 1.7 -
-
[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
2a19.b
2a19.c
2a1a.b
3uiu.a
[1] 2a19.b
0
.10 .12 .10
[1] 2a19.c .10
0
.10 .13
[1] 2a1a.b .12 .10
0
.13
[1] 3uiu.a .10 .13 .13
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.8 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
2a19.b
2a19.c
2a1a.b
3uiu.a
[1] 2a19.b
0
1.7 1.0 1.7
[1] 2a19.c 1.7
0
1.7 2.2
[1] 2a1a.b 1.0 1.7
0
1.9
[1] 3uiu.a 1.7 2.2 1.9
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.7 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
2a19.b
2a19.c
2a1a.b
3uiu.a
[1] 2a19.b
0
2.0 1.2 1.7
[1] 2a19.c 2.0
0
1.9 2.2
[1] 2a1a.b 1.2 1.9
0
1.8
[1] 3uiu.a 1.7 2.2 1.8
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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