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HASP_HUMAN_462_798

Serine/threonine-protein kinase haspin [Protein kinase superfamily. Ser/Thr protein kinase family. Haspin subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (HASP_HUMAN):D: Protein kinase (490:496, 498, 509, 511, 522, 523, 557, 580, 584:588, 605:609, 611, 613, 614, 649, 651:654, 656, 686, 687, 689, 690, 707, 709, 710, 713:716, 718, 719, 722, 747)490:496, 498, 509, 511, 522, 523, 557, 580, 584:588, 605:609, 611, 613, 614, 649, 651:654, 656, 686, 687, 689, 690, 707, 709, 710, 713:716, 718, 719, 722, 747

Full PDB list

2vuw, 2wb8, 3dlz, 3e7v, 3f2n, 3fmd, 3iq7, 4ouc, 4qtc, 5htb, 5htc (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
I
4
9
0
G
4
9
1
E
4
9
2
G
4
9
3
V
4
9
4
F
4
9
5
G
4
9
6
V
4
9
8
A
5
0
9
K
5
1
1
N
5
2
2
I
5
5
7
Y
5
8
0
K
5
8
4
G
5
8
5
S
5
8
6
A
5
8
7
N
5
8
8
F
6
0
5
E
6
0
6
F
6
0
7
G
6
0
8
G
6
0
9
D
6
1
1
E
6
1
3
Q
6
1
4
D
6
4
9
H
6
5
1
W
6
5
2
G
6
5
3
N
6
5
4
L
6
5
6
I
6
8
6
D
6
8
7
T
6
8
9
L
6
9
0
D
7
0
7
D
7
0
9
L
7
1
0
G
7
1
3
D
7
1
4
D
7
1
6
Q
7
1
8
F
7
1
9
Y
7
2
2
Y
7
4
7
[1]2wb8.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3dlz.a amp,mg24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3e7v.a dzo24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3f2n.a izz23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3fmd.a iqb27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3iq7.a 5id20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4ouc.a 5id.iod,ARTKQTA74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4qtc.a 38z44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5htb.a 6l5,ARKKQT66n91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5htc.a 66m,66n,ARKKQT91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
I
4
9
0
G
4
9
1
E
4
9
2
G
4
9
3
V
4
9
4
F
4
9
5
G
4
9
6
V
4
9
8
A
5
0
9
K
5
1
1
N
5
2
2
G
5
2
3
I
5
5
7
Y
5
8
0
K
5
8
4
G
5
8
5
S
5
8
6
A
5
8
7
N
5
8
8
F
6
0
5
E
6
0
6
F
6
0
7
G
6
0
8
G
6
0
9
D
6
1
1
E
6
1
3
Q
6
1
4
D
6
4
9
H
6
5
1
W
6
5
2
G
6
5
3
N
6
5
4
L
6
5
6
I
6
8
6
D
6
8
7
T
6
8
9
L
6
9
0
D
7
0
7
D
7
0
9
L
7
1
0
G
7
1
3
D
7
1
4
G
7
1
5
D
7
1
6
Q
7
1
8
F
7
1
9
Y
7
2
2
Y
7
4
7
[1]2wb8.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . .
[1]3dlz.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . .
[1]3e7v.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . .
[1]3f2n.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . .
[1]3fmd.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3iq7.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . .
[1]4ouc.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4qtc.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5htb.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5htc.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
2wb8.a is apo
3dlz.a:amp,mg
3e7v.a:dzo
3f2n.a:izz
3fmd.a:iqb
3iq7.a:5id
4ouc.a:5id.iod,ARTKQTA
4qtc.a:38z
5htb.a:6l5,ARKKQT66n
5htc.a:66m,66n,ARKKQT
[1] 2wb8.a
-
0.5 0.1 0.1 0.3 0 2.7 0.3 6.6 5.8
[1] 3dlz.a -
0.2
0 0.2 0.7 0.2 3.8 0.2 7.2 7.2
[1] 3e7v.a - 1.6
0
0.2 1.2 0.2 2.5 0.3 7.5 7.4
[1] 3f2n.a - 0.6 0
0
1.2 0 2.8 0.1 3.0 2.5
[1] 3fmd.a - 0.2 0.3 0.2
0
0.1 0.6 0.2 4.3 4.4
[1] 3iq7.a - 0.4 0 0.1 0.6
0.1
2.4 0.2 7.2 7.1
[1] 4ouc.a - 0.7 0 0.2 0.5 0
0.1
0.2 6.9 6.4
[1] 4qtc.a - 0.4 0 0.1 0.3 0 0.1
0
5.7 5.6
[1] 5htb.a - 0.3 0 0 0.8 0 0.5 0.2
0
0.1
[1] 5htc.a - 0.3 0.1 0.1 0.5 0 0.4 0 0.2
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
2wb8.a
3dlz.a
3e7v.a
3f2n.a
3fmd.a
3iq7.a
4ouc.a
4qtc.a
5htb.a
5htc.a
[1] 2wb8.a
0
.06 .09 .19 .10 .04 .11 .10 .19 .17
[1] 3dlz.a .06
0
.10 .22 .15 .06 .15 .13 .23 .21
[1] 3e7v.a .09 .10
0
.17 .15 .06 .10 .12 .22 .23
[1] 3f2n.a .19 .22 .17
0
.21 .17 .20 .24 .12 .13
[1] 3fmd.a .10 .15 .15 .21
0
.12 .09 .07 .14 .13
[1] 3iq7.a .04 .06 .06 .17 .12
0
.10 .10 .20 .19
[1] 4ouc.a .11 .15 .10 .20 .09 .10
0
.07 .17 .16
[1] 4qtc.a .10 .13 .12 .24 .07 .10 .07
0
.15 .14
[1] 5htb.a .19 .23 .22 .12 .14 .20 .17 .15
0
.03
[1] 5htc.a .17 .21 .23 .13 .13 .19 .16 .14 .03
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.4 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
2wb8.a
3dlz.a
3e7v.a
3f2n.a
3fmd.a
3iq7.a
4ouc.a
4qtc.a
5htb.a
5htc.a
[1] 2wb8.a
0
0.6 0.8 1.1 0.9 0.8 1.1 2.2 1.1 1.0
[1] 3dlz.a 0.6
0
0.4 0.9 1.2 0.4 0.9 2.3 1.2 1.1
[1] 3e7v.a 0.8 0.4
0
0.8 1.3 0.4 0.7 2.2 1.1 1.0
[1] 3f2n.a 1.1 0.9 0.8
0
1.4 0.8 1.0 2.4 1.1 1.1
[1] 3fmd.a 0.9 1.2 1.3 1.4
0
1.2 1.1 1.7 0.8 0.7
[1] 3iq7.a 0.8 0.4 0.4 0.8 1.2
0
0.8 2.2 1.1 1.0
[1] 4ouc.a 1.1 0.9 0.7 1.0 1.1 0.8
0
1.7 0.9 0.9
[1] 4qtc.a 2.2 2.3 2.2 2.4 1.7 2.2 1.7
0
1.5 1.7
[1] 5htb.a 1.1 1.2 1.1 1.1 0.8 1.1 0.9 1.5
0
0.2
[1] 5htc.a 1.0 1.1 1.0 1.1 0.7 1.0 0.9 1.7 0.2
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
2wb8.a
3dlz.a
3e7v.a
3f2n.a
3fmd.a
3iq7.a
4ouc.a
4qtc.a
5htb.a
5htc.a
[1] 2wb8.a
0
0.8 0.9 1.7 0.9 0.9 1.2 2.3 1.6 1.6
[1] 3dlz.a 0.8
0
0.7 1.5 1.3 0.6 1.1 2.4 1.6 1.5
[1] 3e7v.a 0.9 0.7
0
1.4 1.3 0.5 0.9 2.3 1.4 1.5
[1] 3f2n.a 1.7 1.5 1.4
0
1.8 1.4 1.6 2.7 1.4 1.1
[1] 3fmd.a 0.9 1.3 1.3 1.8
0
1.3 1.2 1.9 1.4 1.4
[1] 3iq7.a 0.9 0.6 0.5 1.4 1.3
0
0.9 2.3 1.4 1.5
[1] 4ouc.a 1.2 1.1 0.9 1.6 1.2 0.9
0
1.8 1.2 1.3
[1] 4qtc.a 2.3 2.4 2.3 2.7 1.9 2.3 1.8
0
1.7 2.0
[1] 5htb.a 1.6 1.6 1.4 1.4 1.4 1.4 1.2 1.7
0
0.6
[1] 5htc.a 1.6 1.5 1.5 1.1 1.4 1.5 1.3 2.0 0.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

L C X E | Background Color: | Anaglyph Stereo:

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