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AAPK2_HUMAN_2_280_beta

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 (18, 19, 24, 25, 27:29, 31, 46, 48, 51, 88, 90)
8, 11
8, 11, 18, 19, 24, 25, 27:29, 31, 46, 48, 51, 88, 90
Cofactors (cF):4o7/stu

Full PDB list

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

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF
V
1
1
L
1
8
G
1
9
G
2
8
K
2
9
K
3
1
I
4
6
N
4
8
K
5
1
D
8
8
F
9
0
[1]3aqv.a none . . . . . . . . . . .
[1]4zhx.a c1v26 . . . . . . . . . . . 4o7
[1]5iso.c 99231 . . . . . . . . . . . stu

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 cF
D
8
V
1
1
L
1
8
G
1
9
V
2
4
G
2
5
F
2
7
G
2
8
K
2
9
K
3
1
I
4
6
N
4
8
K
5
1
D
8
8
F
9
0
[1]3aqv.a . . . . . . . . . . . . . . .
[1]4zhx.a - . . . . . . . . . . . . . . 4o7
[1]5iso.c - . . . . . . . . . . . . . . stu

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 is apo
4zhx.a:c1v
5iso.c:992
[1] 3aqv.a
-
1.0 0.9
[1] 4zhx.a -
0
0.2
[1] 5iso.c - 0.4
0.1
[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
3aqv.a
4zhx.a
5iso.c
[1] 3aqv.a
0
.11 .11
[1] 4zhx.a .11
0
.03
[1] 5iso.c .11 .03
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.4 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
3aqv.a
4zhx.a
5iso.c
[1] 3aqv.a
0
1.6 1.6
[1] 4zhx.a 1.6
0
0.3
[1] 5iso.c 1.6 0.3
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
3aqv.a
4zhx.a
5iso.c
[1] 3aqv.a
0
1.8 1.8
[1] 4zhx.a 1.8
0
1.4
[1] 5iso.c 1.8 1.4
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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