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KS6A3_HUMAN_41_357

Ribosomal protein S6 kinase alpha-3 [Protein kinase superfamily. AGC Ser/Thr protein kinase family. S6 kinase subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (KS6A3_HUMAN):D: Protein kinase 1 (74:82, 98, 100, 102, 118, 131, 145, 147:155, 191, 193, 195, 197, 198, 200, 210:214, 216)74:82, 98, 100, 102, 118, 131, 145, 147:155, 191, 193, 195, 197, 198, 200, 210:214, 216

Full PDB list

3g51, 4gue, 4nus, 4nw5, 4nw6, 5d9k, 5d9l; 3ubd, 4el9 (unprocessed)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
7
4
G
7
5
Q
7
6
G
7
7
S
7
8
F
7
9
V
8
2
A
9
8
K
1
0
0
L
1
0
2
V
1
3
1
L
1
4
5
L
1
4
7
D
1
4
8
F
1
4
9
L
1
5
0
R
1
5
1
G
1
5
3
L
1
5
5
K
1
9
5
E
1
9
7
N
1
9
8
L
2
0
0
T
2
1
0
D
2
1
1
F
2
1
2
L
2
1
4
K
2
1
6
[1]4nus.a 2nk28 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5d9k.a 58428 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5d9l.a 58319 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]4nw5.a 2nr31 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]4nw6.a 2ns31 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[3]3g51.a anp31 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[4]4gue.a qct32 . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
L
7
4
G
7
5
Q
7
6
G
7
7
S
7
8
F
7
9
G
8
0
K
8
1
V
8
2
A
9
8
K
1
0
0
L
1
0
2
E
1
1
8
V
1
3
1
L
1
4
5
L
1
4
7
D
1
4
8
F
1
4
9
L
1
5
0
R
1
5
1
G
1
5
2
G
1
5
3
D
1
5
4
L
1
5
5
Y
1
9
1
D
1
9
3
K
1
9
5
E
1
9
7
N
1
9
8
L
2
0
0
T
2
1
0
D
2
1
1
F
2
1
2
G
2
1
3
L
2
1
4
K
2
1
6
[1]4nus.a . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . * * * . .
[1]5d9k.a . . . . . * . . . . * . . . . . . . . . . . . . . . . . . . . * * * . .
[1]5d9l.a . . . . . * . . . . * . . . . . . . . . . . . . . . . . . . . * * * . .
[2]4nw5.a . . * * * . . . . . * . . . . . . . . . . . . . . . . . . . . * . . . .
[2]4nw6.a . . . * * . . . . . * . . . . . . . . . . . . . . . . . . . * * . . . .
[3]3g51.a . . * * . . . . . . * . - . . . . . . . . . . . . . . . . . * * . . . *
[4]4gue.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
4nus.a:2nk
5d9k.a:584
5d9l.a:583
4nw5.a:2nr
4nw6.a:2ns
3g51.a:anp
4gue.a:qct
[1] 4nus.a
0.1
0.1 0 0.3 0.6 4.6 11
[1] 5d9k.a 0.2
0
0.1 0.7 0.7 5.5 12
[1] 5d9l.a 0.3 0.2
0.1
0.8 1.1 5.3 12
[2] 4nw5.a 2.5 2.1 0.4
0
0 3.4 12
[2] 4nw6.a 2.3 1.5 0.6 0
0
3.2 11
[3] 3g51.a 5.2 2.0 1.4 0.9 0.6
0.1
5.7
[4] 4gue.a 9.2 8.5 4.1 11 11 5.8
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (4 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
4nus.a
5d9k.a
5d9l.a
4nw5.a
4nw6.a
3g51.a
4gue.a
[1] 4nus.a
0
.03 .06 .49 .46 .38 .65
[1] 5d9k.a .03
0
.07 .49 .46 .41 .66
[1] 5d9l.a .06 .07
0
.52 .49 .43 .61
[2] 4nw5.a .49 .49 .52
0
.06 .27 .59
[2] 4nw6.a .46 .46 .49 .06
0
.25 .57
[3] 3g51.a .38 .41 .43 .27 .25
0
.49
[4] 4gue.a .65 .66 .61 .59 .57 .49
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 3.4 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
4nus.a
5d9k.a
5d9l.a
4nw5.a
4nw6.a
3g51.a
4gue.a
[1] 4nus.a
0
0.6 0.8 2.2 2.2 3.2 6.6
[1] 5d9k.a 0.6
0
0.8 2.2 2.2 3.2 6.7
[1] 5d9l.a 0.8 0.8
0
2.2 2.2 3.1 6.4
[2] 4nw5.a 2.2 2.2 2.2
0
0.3 2.8 6.5
[2] 4nw6.a 2.2 2.2 2.2 0.3
0
2.8 6.5
[3] 3g51.a 3.2 3.2 3.1 2.8 2.8
0
5.9
[4] 4gue.a 6.6 6.7 6.4 6.5 6.5 5.9
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 2.2 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
4nus.a
5d9k.a
5d9l.a
4nw5.a
4nw6.a
3g51.a
4gue.a
[1] 4nus.a
0
1.0 1.2 3.3 3.3 3.9 7.2
[1] 5d9k.a 1.0
0
1.1 3.3 3.3 4.0 7.3
[1] 5d9l.a 1.2 1.1
0
3.4 3.4 3.9 6.9
[2] 4nw5.a 3.3 3.3 3.4
0
0.4 3.4 7.4
[2] 4nw6.a 3.3 3.3 3.4 0.4
0
3.4 7.3
[3] 3g51.a 3.9 4.0 3.9 3.4 3.4
0
6.8
[4] 4gue.a 7.2 7.3 6.9 7.4 7.3 6.8
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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