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SGK1_HUMAN_59_431

Serine/threonine-protein kinase Sgk1 [Protein kinase superfamily. AGC Ser/Thr protein kinase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (SGK1_HUMAN):D: Protein kinase (104:110, 112, 125, 127, 160, 176:180, 183, 224, 226, 227, 229, 239)104:110, 112, 125, 127, 160, 176:180, 183, 224, 226, 227, 229, 239

Full PDB list

2r5t, 3hdm, 3hdn

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
I
1
0
4
G
1
0
5
G
1
0
7
S
1
0
8
F
1
0
9
V
1
1
2
A
1
2
5
K
1
2
7
V
1
6
0
L
1
7
6
D
1
7
7
Y
1
7
8
I
1
7
9
E
1
8
3
K
2
2
4
E
2
2
6
N
2
2
7
L
2
2
9
T
2
3
9
[1]2r5t.a anp,mg32 . . . . . . . . . . . . . . . . . . .
[1]3hdm.a mmg24 . . . . . . . . . . . . . . . . . . .
[1]3hdn.a gmg29 . . . . . . . . . . . . . . . . . . .

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
I
1
0
4
G
1
0
5
K
1
0
6
G
1
0
7
S
1
0
8
F
1
0
9
G
1
1
0
V
1
1
2
A
1
2
5
K
1
2
7
V
1
6
0
L
1
7
6
D
1
7
7
Y
1
7
8
I
1
7
9
N
1
8
0
E
1
8
3
K
2
2
4
E
2
2
6
N
2
2
7
L
2
2
9
T
2
3
9
[1]2r5t.a . . . . . . . . . . . . . . . . . . . . . .
[1]3hdm.a . . . * . . . . . . . . . . . . . . . . . .
[1]3hdn.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
2r5t.a:anp,mg
3hdm.a:mmg
3hdn.a:gmg
[1] 2r5t.a
0.2
0.3 0.1
[1] 3hdm.a 1.5
0
0.2
[1] 3hdn.a 0.4 0
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
2r5t.a
3hdm.a
3hdn.a
[1] 2r5t.a
0
.08 .02
[1] 3hdm.a .08
0
.07
[1] 3hdn.a .02 .07
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.5 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
2r5t.a
3hdm.a
3hdn.a
[1] 2r5t.a
0
1.0 0.5
[1] 3hdm.a 1.0
0
0.8
[1] 3hdn.a 0.5 0.8
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.5 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
2r5t.a
3hdm.a
3hdn.a
[1] 2r5t.a
0
1.1 0.5
[1] 3hdm.a 1.1
0
1.0
[1] 3hdn.a 0.5 1.0
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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