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AAKG1_HUMAN_4_182

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

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (AAKG1_HUMAN):D: CBS 1 (70, 84, 85, 87:90)
D: CBS 2 (127:130, 150:152, 154)
D: CBS 3 (226, 242:244)
D: CBS 4 (299)
118, 121, 123
70, 84, 85, 87:90, 118, 121, 123, 127:130, 150:152, 154, 226, 242:244, 299

Full PDB list

4cfe, 4eag, 4eak, 4eal, 4qfg, 4qfr, 4zhx, 5ezv, 5iso, 5kq5, 5t5t, 5ufu (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
R
7
0
M
8
5
T
8
7
I
8
8
T
8
9
D
9
0
Y
1
2
1
Q
1
2
3
K
1
2
7
P
1
2
8
L
1
2
9
V
1
3
0
I
1
5
0
H
1
5
1
R
1
5
2
P
1
5
4
S
2
2
6
S
2
4
2
K
2
4
3
F
2
4
4
R
2
9
9
[1]4eak.c atp31 . . . . . . . . . . . . . . . . . . . . .
[1]4qfg.c none . . . . . . . . - . . . . . . . . . . . .
[1]4qfr.c adp27 . . . . . . . . . . . . . . . . . . . . .
[1]5ezv.e c2z15 . . . . . . . . . . . . . . . . . . . . .
[1]5iso.f amp23 . . . . . . . . . . . . . . . . . . . . .

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
7
0
G
8
4
M
8
5
T
8
7
I
8
8
T
8
9
D
9
0
R
1
1
8
Y
1
2
1
Q
1
2
3
K
1
2
7
P
1
2
8
L
1
2
9
V
1
3
0
I
1
5
0
H
1
5
1
R
1
5
2
P
1
5
4
S
2
2
6
S
2
4
2
K
2
4
3
F
2
4
4
R
2
9
9
[1]4eak.c . . . . . . . . . . . . . . . . . . . . . . .
[1]4qfg.c . . . . . . . . . . - . . . . . . . . . . . .
[1]4qfr.c . . . . . . . . . . . . . . . . . . . . . . .
[1]5ezv.e . . . . . . . . . . . . . . . . . . . . . . .
[1]5iso.f . . . . . . . . . . . . . . . . . . . . . . .

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
4eak.c:atp
4qfg.c is apo
4qfr.c:adp
5ezv.e:c2z
5iso.f:amp
[1] 4eak.c
0.1
- 0.3 0.5 0.8
[1] 4qfg.c 1.5
-
0.5 0.5 0.5
[1] 4qfr.c 1.3 -
0.2
1.1 0.4
[1] 5ezv.e 0.3 - 0.1
0
0.1
[1] 5iso.f 1.3 - 0 0.7
0
[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
4eak.c
4qfg.c
4qfr.c
5ezv.e
5iso.f
[1] 4eak.c
0
.13 .10 .05 .12
[1] 4qfg.c .13
0
.08 .07 .05
[1] 4qfr.c .10 .08
0
.07 .08
[1] 5ezv.e .05 .07 .07
0
.07
[1] 5iso.f .12 .05 .08 .07
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
4eak.c
4qfg.c
4qfr.c
5ezv.e
5iso.f
[1] 4eak.c
0
1.8 1.9 2.0 2.1
[1] 4qfg.c 1.8
0
0.6 0.8 0.8
[1] 4qfr.c 1.9 0.6
0
0.8 0.7
[1] 5ezv.e 2.0 0.8 0.8
0
0.7
[1] 5iso.f 2.1 0.8 0.7 0.7
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

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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
4eak.c
4qfg.c
4qfr.c
5ezv.e
5iso.f
[1] 4eak.c
0
2.8 2.3 2.7 2.9
[1] 4qfg.c 2.8
0
1.5 1.3 1.6
[1] 4qfr.c 2.3 1.5
0
1.2 1.0
[1] 5ezv.e 2.7 1.3 1.2
0
1.5
[1] 5iso.f 2.9 1.6 1.0 1.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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