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CHK1_HUMAN_1_283_allosteric

Serine/threonine-protein kinase Chk1 [Protein kinase superfamily. CAMK Ser/Thr protein kinase family. NIM1 subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CHK1_HUMAN):R: Interaction with CLSPN (93:99, 133, 172, 173, 200, 204:208, 217)
D: Protein kinase (93:99, 133, 172, 173, 200, 204:208, 217)
93:99, 133, 172, 173, 200, 204:208, 217

Full PDB list

1nvs, 1zys, 2ayp, 2br1, 2brb, 2brg, 2brh, 2brm, 2brn, 2bro, 2c3k, 2cgu, 2e9n, 2e9o, 2e9p, 2e9u, 2e9v, 2gdo, 2ghg, 2hog, 2hxl, 2hxq, 2hy0, 2r0u, 2ydi, 2ydj, 2ydk, 2ym4, 2ym5, 2ym8, 2ywp, 3f9n, 3jvr, 3jvs, 3nlb, 3ot3, 3ot8, 3pa3, 3pa4, 3pa5, 3tkh, 3tki, 3u9n, 4fsm, 4fsq, 4fsr, 4fst, 4fsu, 4fsy, 4ft0, 4ft5, 4ft7, 4fta, 4ftc, 4fti, 4ftj, 4ftk, 4ftl, 4ftm, 4ftn, 4fto, 4ftq, 4ftr, 4ftt, 4ftu, 4gh2, 4hyh, 4hyi, 4jik, 4qyf, 4qyg, 4qyh, 4rvk, 4rvm, 5f4n, 5op4, 5op7, 5opb, 5opr, 5opv (redundant Pocketome entry); 1ia8, 1nvq, 1nvr, 1zlt, 2c3j, 2c3l, 2cgv, 2cgw, 2cgx, 2qhm, 2qhn, 2wmq, 2wmr, 2wms, 2wmt, 2wmu, 2wmv, 2wmw, 2wmx, 2x8d, 2x8e, 2x8i, 2xey, 2xez, 2xf0, 2yer, 2yex, 2ym3, 2ym6, 2ym7, 4fsn, 4fsw, 4fsz, 4ft3, 4ft9, 4qye, 4rvl, 5dls, 5oop, 5oor, 5oot, 5op2, 5op5, 5ops, 5opu, 5oq5, 5oq6, 5oq7, 5oq8 (unprocessed)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
F
9
3
D
9
4
R
9
5
I
9
6
E
9
7
P
9
8
D
9
9
P
1
3
3
Y
1
7
3
A
2
0
0
G
2
0
4
E
2
0
5
L
2
0
6
P
2
0
7
W
2
0
8
E
2
1
7
[1]3f9n.a 38m37 . . . . . . . . . . . . . . . .
[1]3jvr.a agx23 . . . . . . . . . . . . . . . .
[1]3jvs.a agy30 . . . . . . . . . . . . . . . .
[1]3pa4.a none . . . . . . . . . . . . . . . .

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
F
9
3
D
9
4
R
9
5
I
9
6
E
9
7
P
9
8
D
9
9
P
1
3
3
P
1
7
2
Y
1
7
3
A
2
0
0
G
2
0
4
E
2
0
5
L
2
0
6
P
2
0
7
W
2
0
8
E
2
1
7
[1]3f9n.a . . . . . . . . . . . . . . . . .
[1]3jvr.a . . . . . . . . . . . . . . . . .
[1]3jvs.a . . . . . . . . . . . . . . . . .
[1]3pa4.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
3f9n.a:38m
3jvr.a:agx
3jvs.a:agy
3pa4.a is apo
[1] 3f9n.a
0.1
0.6 1.2 -
[1] 3jvr.a 0.2
0
0.6 -
[1] 3jvs.a 0 0
0
-
[1] 3pa4.a 0.3 0.3 1.1
-
[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
3f9n.a
3jvr.a
3jvs.a
3pa4.a
[1] 3f9n.a
0
.06 .08 .06
[1] 3jvr.a .06
0
.04 .04
[1] 3jvs.a .08 .04
0
.07
[1] 3pa4.a .06 .04 .07
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.4 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
3f9n.a
3jvr.a
3jvs.a
3pa4.a
[1] 3f9n.a
0
0.3 0.2 0.2
[1] 3jvr.a 0.3
0
0.2 0.2
[1] 3jvs.a 0.2 0.2
0
0.2
[1] 3pa4.a 0.2 0.2 0.2
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.2 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
3f9n.a
3jvr.a
3jvs.a
3pa4.a
[1] 3f9n.a
0
0.5 0.6 0.5
[1] 3jvr.a 0.5
0
0.3 0.3
[1] 3jvs.a 0.6 0.3
0
0.4
[1] 3pa4.a 0.5 0.3 0.4
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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