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AAKB1_HUMAN_70_159

5'-AMP-activated protein kinase subunit beta-1 [5'-AMP-activated protein kinase beta subunit family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (AAKB1_HUMAN):R: Glycogen-binding domain (81, 83, 85, 106:111, 113, 115, 158, 159, 161, 162)
165, 168, 169
81, 83, 85, 106:111, 113, 115, 158, 159, 161, 162, 165, 168, 169

Full PDB list

1z0m, 1z0n, 4cfe, 4qfg, 4qfr, 4yef, 4zhx, 5ezv, 5iso, 5kq5, 5t5t, 5ufu (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
V
8
1
R
8
3
T
1
0
6
R
1
0
7
S
1
0
8
H
1
0
9
N
1
1
0
N
1
1
1
V
1
1
3
I
1
1
5
D
1
5
9
A
1
6
5
D
1
6
9
[1]1z0n.a none . . . . . Q . . . . . - -
[1]4cfe.b 992,K-NRQK77 . . . . * . . . . . . . .
[1]4qfr.b 32j,K36 . . . . D Q . . . . . . .
[1]4yef.d 4cq77 . . . . . Q . . . . - - -
[1]4zhx.d c1v26 . . . . * . . . . . . . .
[1]5ezv.b c1v,K-K41 . . . . * . . . . . . . .
[1]5ezv.d c1v,K-NRQK70 . . . . * . . . . . . . .
[1]5iso.d 992,K-K49 . . . . * . . . . . . . .
[1]5kq5.b 6vt,K-K38 . . . . D Q . . . . . . .
[1]5t5t.b 75o24 . . . . D . . . . . . . .
[1]5ufu.b 85v,K-NRQK77 . . . . D Q . . . . . . .
[2]4qfg.b KVK-K34 . . . . D Q . . . . . . .

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

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PDB.ch
A1
V
8
1
R
8
3
T
8
5
T
1
0
6
R
1
0
7
S
1
0
8
H
1
0
9
N
1
1
0
N
1
1
1
V
1
1
3
I
1
1
5
T
1
5
8
D
1
5
9
E
1
6
1
V
1
6
2
A
1
6
5
V
1
6
8
D
1
6
9
[1]1z0n.a . . . . . * Q . . . . . . . . - - -
[1]4cfe.b . . . . . * . . . . . . . . . . . .
[1]4qfr.b . . . . . D Q . . . . . . . . . . .
[1]4yef.d . * . . . * Q . . . . - - - - - - -
[1]4zhx.d . . . . . * . . . . . . . . . . . .
[1]5ezv.b . . . . . * . . . . . . . . . . . .
[1]5ezv.d . . . . . * . . . . . . . . . . . .
[1]5iso.d . . . . . * . . . . . . . . . . . .
[1]5kq5.b . . . . . D Q . . . . . . . . . . .
[1]5t5t.b . . . . . D . . . . . . . . . . . .
[1]5ufu.b . . . . . D Q . . . . . . . . . . .
[2]4qfg.b . * . . . D Q * . . . . . . . . . *

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
1z0n.a is apo
4cfe.b:992,K-NRQK
4qfr.b:32j,K
4yef.d:4cq
4zhx.d:c1v
5ezv.b:K-K,c1v
5ezv.d:K-NRQK,c1v
5iso.d:992,K-K
5kq5.b:6vt,K-K
5t5t.b:75o
5ufu.b:85v,K-NRQK
4qfg.b:KVK-K
[1] 1z0n.a
-
1.6 1.9 0.9 1.4 1.7 2.6 2.4 1.1 0.9 1.5 1.6
[1] 4cfe.b -
0
0.1 0.4 0.1 0 0.1 0 0.1 0.3 0.2 0
[1] 4qfr.b - 0.2
0
0.5 0.1 0.1 0.1 0.2 0 0.4 0.1 0
[1] 4yef.d - 2.3 1.9
0.1
2.3 2.5 2.8 2.9 1.9 2.0 2.1 0
[1] 4zhx.d - 0 0 0.2
0
0 0 0 0 0.1 0 0
[1] 5ezv.b - 0.2 0 0.1 0
0
0 0.1 0 0.1 0.1 0
[1] 5ezv.d - 0.2 0 0.1 0 0
0
0.1 0 0.2 0.1 0
[1] 5iso.d - 0 0.1 0.2 0 0 0.1
0
0.1 0.1 0.2 0
[1] 5kq5.b - 0.2 0 0.5 0 0 0 0.3
0
0.1 0.1 0
[1] 5t5t.b - 0.1 0 0.3 0.2 0.1 0.2 0.2 0
0
0.1 0
[1] 5ufu.b - 0.1 0 0.2 0 0 0 0.1 0 0.2
0
0
[2] 4qfg.b - 3.9 3.0 0.8 3.6 4.3 4.9 4.4 2.6 2.8 3.5
0
[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
1z0n.a
4cfe.b
4qfr.b
4yef.d
4zhx.d
5ezv.b
5ezv.d
5iso.d
5kq5.b
5t5t.b
5ufu.b
4qfg.b
[1] 1z0n.a
0
.23 .24 .16 .23 .24 .23 .23 .25 .20 .24 .35
[1] 4cfe.b .23
0
.04 .18 .04 .05 .05 .02 .07 .06 .04 .32
[1] 4qfr.b .24 .04
0
.18 .02 .03 .02 .04 .03 .05 .01 .32
[1] 4yef.d .16 .18 .18
0
.18 .18 .18 .18 .19 .16 .17 .19
[1] 4zhx.d .23 .04 .02 .18
0
.02 .01 .02 .03 .04 .02 .33
[1] 5ezv.b .24 .05 .03 .18 .02
0
.01 .03 .03 .04 .02 .32
[1] 5ezv.d .23 .05 .02 .18 .01 .01
0
.03 .02 .03 .02 .32
[1] 5iso.d .23 .02 .04 .18 .02 .03 .03
0
.05 .05 .03 .33
[1] 5kq5.b .25 .07 .03 .19 .03 .03 .02 .05
0
.05 .03 .29
[1] 5t5t.b .20 .06 .05 .16 .04 .04 .03 .05 .05
0
.05 .31
[1] 5ufu.b .24 .04 .01 .17 .02 .02 .02 .03 .03 .05
0
.31
[2] 4qfg.b .35 .32 .32 .19 .33 .32 .32 .33 .29 .31 .31
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.5 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
1z0n.a
4cfe.b
4qfr.b
4yef.d
4zhx.d
5ezv.b
5ezv.d
5iso.d
5kq5.b
5t5t.b
5ufu.b
4qfg.b
[1] 1z0n.a
0
5.0 5.2 0.8 5.0 4.9 4.9 5.0 5.0 5.0 5.0 5.4
[1] 4cfe.b 5.0
0
1.0 1.3 0.6 0.7 0.4 0.5 1.0 0.9 1.0 1.5
[1] 4qfr.b 5.2 1.0
0
1.3 1.1 1.1 1.0 0.9 0.2 0.9 0.3 1.4
[1] 4yef.d 0.8 1.3 1.3
0
1.4 1.3 1.2 1.3 1.3 1.4 1.3 1.0
[1] 4zhx.d 5.0 0.6 1.1 1.4
0
0.8 0.6 0.7 1.1 1.0 1.1 1.6
[1] 5ezv.b 4.9 0.7 1.1 1.3 0.8
0
0.6 0.8 1.0 1.1 1.1 1.6
[1] 5ezv.d 4.9 0.4 1.0 1.2 0.6 0.6
0
0.5 1.0 1.0 1.1 1.5
[1] 5iso.d 5.0 0.5 0.9 1.3 0.7 0.8 0.5
0
0.9 0.9 1.0 1.4
[1] 5kq5.b 5.0 1.0 0.2 1.3 1.1 1.0 1.0 0.9
0
0.9 0.4 1.5
[1] 5t5t.b 5.0 0.9 0.9 1.4 1.0 1.1 1.0 0.9 0.9
0
0.9 1.6
[1] 5ufu.b 5.0 1.0 0.3 1.3 1.1 1.1 1.1 1.0 0.4 0.9
0
1.6
[2] 4qfg.b 5.4 1.5 1.4 1.0 1.6 1.6 1.5 1.4 1.5 1.6 1.6
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.0 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
1z0n.a
4cfe.b
4qfr.b
4yef.d
4zhx.d
5ezv.b
5ezv.d
5iso.d
5kq5.b
5t5t.b
5ufu.b
4qfg.b
[1] 1z0n.a
0
5.6 5.3 1.4 5.7 5.5 5.5 5.7 5.2 5.0 5.2 5.5
[1] 4cfe.b 5.6
0
1.4 1.8 1.4 0.9 0.9 0.9 1.3 1.5 1.2 2.7
[1] 4qfr.b 5.3 1.4
0
1.7 1.5 1.4 1.5 1.4 0.4 1.2 0.6 2.2
[1] 4yef.d 1.4 1.8 1.7
0
1.9 1.8 1.7 1.8 1.8 1.7 1.8 1.8
[1] 4zhx.d 5.7 1.4 1.5 1.9
0
1.1 0.8 1.0 1.5 1.5 1.4 2.5
[1] 5ezv.b 5.5 0.9 1.4 1.8 1.1
0
1.1 1.1 1.4 1.6 1.3 2.3
[1] 5ezv.d 5.5 0.9 1.5 1.7 0.8 1.1
0
0.9 1.5 1.6 1.4 2.1
[1] 5iso.d 5.7 0.9 1.4 1.8 1.0 1.1 0.9
0
1.4 1.6 1.4 2.2
[1] 5kq5.b 5.2 1.3 0.4 1.8 1.5 1.4 1.5 1.4
0
1.2 0.6 2.2
[1] 5t5t.b 5.0 1.5 1.2 1.7 1.5 1.6 1.6 1.6 1.2
0
1.1 1.9
[1] 5ufu.b 5.2 1.2 0.6 1.8 1.4 1.3 1.4 1.4 0.6 1.1
0
2.3
[2] 4qfg.b 5.5 2.7 2.2 1.8 2.5 2.3 2.1 2.2 2.2 1.9 2.3
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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