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CDK16_HUMAN_162_479

Cyclin-dependent kinase 16 [Protein kinase superfamily. CMGC Ser/Thr protein kinase family. CDC2/CDKX subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CDK16_HUMAN):D: Protein kinase (171, 179, 192, 194, 211, 212, 214, 215, 218, 223, 224, 240:246, 249, 277, 282, 284, 290, 291, 293, 302:308, 310)171, 179, 192, 194, 211, 212, 214, 215, 218, 223, 224, 240:246, 249, 277, 282, 284, 290, 291, 293, 302:308, 310

Full PDB list

3mtl, 5g6v

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
1
7
1
V
1
7
9
A
1
9
2
K
1
9
4
E
2
1
1
L
2
1
4
L
2
1
5
L
2
1
8
I
2
2
3
V
2
2
4
F
2
4
0
E
2
4
1
Y
2
4
2
L
2
4
3
D
2
4
4
K
2
4
5
D
2
4
6
Q
2
4
9
V
2
8
2
H
2
8
4
Q
2
9
0
N
2
9
1
L
2
9
3
L
3
0
2
A
3
0
3
D
3
0
4
F
3
0
5
[1]3mtl.a fef27 . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]5g6v.a 91941 . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
1
7
1
V
1
7
9
A
1
9
2
K
1
9
4
E
2
1
1
V
2
1
2
L
2
1
4
L
2
1
5
L
2
1
8
I
2
2
3
V
2
2
4
F
2
4
0
E
2
4
1
Y
2
4
2
L
2
4
3
D
2
4
4
K
2
4
5
D
2
4
6
Q
2
4
9
C
2
7
7
V
2
8
2
H
2
8
4
Q
2
9
0
N
2
9
1
L
2
9
3
L
3
0
2
A
3
0
3
D
3
0
4
F
3
0
5
G
3
0
6
L
3
0
7
A
3
0
8
A
3
1
0
[1]3mtl.a . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . * . .
[2]5g6v.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
3mtl.a:fef
5g6v.a:919
[1] 3mtl.a
0
8.1
[2] 5g6v.a 4.0
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 clusters)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
3mtl.a
5g6v.a
[1] 3mtl.a
0
.34
[2] 5g6v.a .34
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 3.3 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone 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
3mtl.a
5g6v.a
[1] 3mtl.a
0
7.0
[2] 5g6v.a 7.0
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 3.5 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
3mtl.a
5g6v.a
[1] 3mtl.a
0
6.6
[2] 5g6v.a 6.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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