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AAPK1_HUMAN_14_295

5'-AMP-activated protein kinase catalytic subunit alpha-1 [Protein kinase superfamily. CAMK Ser/Thr protein kinase family. SNF1 subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (AAPK1_HUMAN):D: Protein kinase (29, 30, 38:40, 42, 57, 59, 62, 99, 101)
21, 22
21, 22, 29, 30, 38:40, 42, 57, 59, 62, 99, 101

Full PDB list

4cfh, 4qfg, 4qfr, 4red, 5kq5, 5t5t, 5ufu

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
V
2
2
L
2
9
G
3
0
F
3
8
G
3
9
K
4
0
K
4
2
I
5
7
N
5
9
K
6
2
D
9
9
F
1
0
1
[1]4cfh.a none . . . . . . . . . . . .
[1]4qfg.a R11 . . . . . . . . . . . .
[1]4qfr.a 32j27 . . . . . . . . . . . .
[1]5kq5.a 6vt24 . . . . . . . . . . . .
[1]5t5t.a 75o24 . . . . . . . . . . . .
[1]5ufu.a 85v31 . . . . . . . . . . . .
[2]4red.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
R
2
1
V
2
2
L
2
9
G
3
0
F
3
8
G
3
9
K
4
0
K
4
2
I
5
7
N
5
9
K
6
2
D
9
9
F
1
0
1
[1]4cfh.a . . . . . . . . . . . . .
[1]4qfg.a . . . . . . * * . . . . .
[1]4qfr.a . . . . . . . . . . * . .
[1]5kq5.a . . . . . . . . . . . . .
[1]5t5t.a . . . . . . . . . . . . .
[1]5ufu.a . . . . . . * . . . . . .
[2]4red.a S . . . * * . . . . . . .

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
4cfh.a is apo
4qfg.a:R
4qfr.a:32j
5kq5.a:6vt
5t5t.a:75o
5ufu.a:85v
4red.a is apo
[1] 4cfh.a
-
0.1 0.6 0.5 0.9 1.3 -
[1] 4qfg.a -
0
1.3 1.3 1.3 1.8 -
[1] 4qfr.a - 0.3
0
0.1 0.2 1.6 -
[1] 5kq5.a - 0.3 0.2
0
0 0.1 -
[1] 5t5t.a - 0.3 0.2 0.1
0
0.3 -
[1] 5ufu.a - 0.3 0.7 1.0 1.1
0
-
[2] 4red.a - 0.1 0.6 0.6 0.7 3.7
-
[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
4cfh.a
4qfg.a
4qfr.a
5kq5.a
5t5t.a
5ufu.a
4red.a
[1] 4cfh.a
0
.15 .22 .18 .15 .19 .29
[1] 4qfg.a .15
0
.23 .21 .18 .20 .30
[1] 4qfr.a .22 .23
0
.13 .13 .22 .28
[1] 5kq5.a .18 .21 .13
0
.03 .10 .32
[1] 5t5t.a .15 .18 .13 .03
0
.12 .29
[1] 5ufu.a .19 .20 .22 .10 .12
0
.36
[2] 4red.a .29 .30 .28 .32 .29 .36
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.7 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
4cfh.a
4qfg.a
4qfr.a
5kq5.a
5t5t.a
5ufu.a
4red.a
[1] 4cfh.a
0
1.5 1.7 1.8 1.8 1.8 1.8
[1] 4qfg.a 1.5
0
0.7 0.8 0.8 0.8 1.5
[1] 4qfr.a 1.7 0.7
0
0.3 0.4 0.4 1.5
[1] 5kq5.a 1.8 0.8 0.3
0
0.3 0.4 1.4
[1] 5t5t.a 1.8 0.8 0.4 0.3
0
0.5 1.4
[1] 5ufu.a 1.8 0.8 0.4 0.4 0.5
0
1.5
[2] 4red.a 1.8 1.5 1.5 1.4 1.4 1.5
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.8 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
4cfh.a
4qfg.a
4qfr.a
5kq5.a
5t5t.a
5ufu.a
4red.a
[1] 4cfh.a
0
2.1 2.7 2.8 2.8 2.9 2.0
[1] 4qfg.a 2.1
0
1.6 1.7 1.8 1.9 1.8
[1] 4qfr.a 2.7 1.6
0
0.7 0.7 1.1 1.7
[1] 5kq5.a 2.8 1.7 0.7
0
0.8 0.6 1.8
[1] 5t5t.a 2.8 1.8 0.7 0.8
0
0.9 1.7
[1] 5ufu.a 2.9 1.9 1.1 0.6 0.9
0
1.8
[2] 4red.a 2.0 1.8 1.7 1.8 1.7 1.8
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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