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AAPK2_HUMAN_2_280_ATPsite

5'-AMP-activated protein kinase catalytic subunit alpha-2 [Protein kinase superfamily. CAMK Ser/Thr protein kinase family. SNF1 subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (AAPK2_HUMAN):D: Protein kinase (22:25, 30, 43, 45, 77, 93:100, 103, 104, 107, 143, 144, 146, 156:165)22:25, 30, 43, 45, 77, 93:100, 103, 104, 107, 143, 144, 146, 156:165

Full PDB list

2h6d, 2yza, 3aqv, 4cfe, 4zhx, 5ezv, 5iso (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
2
2
G
2
3
V
2
4
G
2
5
V
3
0
A
4
3
K
4
5
I
7
7
M
9
3
E
9
4
Y
9
5
V
9
6
S
9
7
G
9
8
G
9
9
E
1
0
0
D
1
0
3
Y
1
0
4
K
1
0
7
E
1
4
3
N
1
4
4
L
1
4
6
A
1
5
6
D
1
5
7
M
1
6
4
[1]3aqv.a tak30 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4zhx.a 4o735 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5iso.a stu35 . . . . . . . . . . . . . . . . . . . . . . . . .
[2]2h6d.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
L
2
2
G
2
3
V
2
4
G
2
5
V
3
0
A
4
3
K
4
5
I
7
7
M
9
3
E
9
4
Y
9
5
V
9
6
S
9
7
G
9
8
G
9
9
E
1
0
0
D
1
0
3
Y
1
0
4
K
1
0
7
E
1
4
3
N
1
4
4
L
1
4
6
A
1
5
6
D
1
5
7
F
1
5
8
G
1
5
9
L
1
6
0
S
1
6
1
N
1
6
2
M
1
6
3
M
1
6
4
S
1
6
5
[1]3aqv.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * .
[1]4zhx.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5iso.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]2h6d.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
3aqv.a:tak
4zhx.a:4o7
5iso.a:stu
2h6d.a is apo
[1] 3aqv.a
0
3.7 3.9 -
[1] 4zhx.a 0.1
0
0 -
[1] 5iso.a 0.2 0.2
0.1
-
[2] 2h6d.a 8.1 14 14
-
[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
3aqv.a
4zhx.a
5iso.a
2h6d.a
[1] 3aqv.a
0
.13 .13 .59
[1] 4zhx.a .13
0
.02 .49
[1] 5iso.a .13 .02
0
.48
[2] 2h6d.a .59 .49 .48
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 7.2 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
3aqv.a
4zhx.a
5iso.a
2h6d.a
[1] 3aqv.a
0
8.4 8.2 5.9
[1] 4zhx.a 8.4
0
0.6 13
[1] 5iso.a 8.2 0.6
0
12
[2] 2h6d.a 5.9 13 12
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 7.0 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
3aqv.a
4zhx.a
5iso.a
2h6d.a
[1] 3aqv.a
0
8.3 8.1 6.2
[1] 4zhx.a 8.3
0
0.9 12
[1] 5iso.a 8.1 0.9
0
12
[2] 2h6d.a 6.2 12 12
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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