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JAK1_HUMAN_854_1154

Tyrosine-protein kinase JAK1 [Protein kinase superfamily. Tyr protein kinase family. JAK subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (JAK1_HUMAN):D: Protein kinase 2 (879, 881:889, 906, 908, 938, 956:960, 962, 963, 966, 970, 1003, 1007, 1008, 1010, 1020, 1021)879, 881:889, 906, 908, 938, 956:960, 962, 963, 966, 970, 1003, 1007, 1008, 1010, 1020, 1021

Full PDB list

3eyg, 3eyh, 4e4l, 4e4n, 4e5w, 4ehz, 4ei4, 4fk6, 4i5c, 4ivb, 4ivc, 4ivd, 4k6z, 4k77, 5e1e, 5hx8, 5khw, 5khx, 5wo4

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
R
8
7
9
L
8
8
1
G
8
8
2
E
8
8
3
G
8
8
4
G
8
8
7
K
8
8
8
V
8
8
9
A
9
0
6
K
9
0
8
V
9
3
8
M
9
5
6
E
9
5
7
F
9
5
8
L
9
5
9
P
9
6
0
G
9
6
2
S
9
6
3
E
9
6
6
D
1
0
0
3
R
1
0
0
7
N
1
0
0
8
L
1
0
1
0
G
1
0
2
0
D
1
0
2
1
[1]3eyg.a mi123 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3eyh.a iza23 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4e4l.b 0nh23 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4e4n.a 0nl25 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4e5w.a 0nt28 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4ehz.b jak19 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4ei4.b 0q220 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4fk6.b 0uj25 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4i5c.b c5i23 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4ivb.a 1j523 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4ivc.b 1j624 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4ivd.a 15t25 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4k6z.a 1q324 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4k77.b 1q418 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5e1e.a 5jg29 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5hx8.a 66p24 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5khw.b adp,mg28 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5khx.a 6te20 . . . - - - . . . . . . . . . . . . . . . . . . .
[1]5wo4.a b7v26 . . . . . . . . . . . . . . . . . . . . . . . . .

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
R
8
7
9
L
8
8
1
G
8
8
2
E
8
8
3
G
8
8
4
H
8
8
5
F
8
8
6
G
8
8
7
K
8
8
8
V
8
8
9
A
9
0
6
K
9
0
8
V
9
3
8
M
9
5
6
E
9
5
7
F
9
5
8
L
9
5
9
P
9
6
0
G
9
6
2
S
9
6
3
E
9
6
6
K
9
7
0
D
1
0
0
3
R
1
0
0
7
N
1
0
0
8
L
1
0
1
0
G
1
0
2
0
D
1
0
2
1
[1]3eyg.a . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]3eyh.a . . . . * * . . . . . . . . . . . . . . . . . . . . . .
[1]4e4l.b . . . . . . . . . . . . . . . . . . . . . . . * . . . .
[1]4e4n.a . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4e5w.a . . . * * . . . . . . . . . . . . . . . * . . . . . . .
[1]4ehz.b . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4ei4.b . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4fk6.b . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4i5c.b . . . * * . . . . . . . . . . . . . . . . . . . . . . .
[1]4ivb.a . . . * * . . . . . . . . . . . . . . . . . . . . . . .
[1]4ivc.b . . . * * . . . . . . . . . . . . . . . . . . . . . . .
[1]4ivd.a . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4k6z.a . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]4k77.b . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]5e1e.a . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5hx8.a . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]5khw.b . . . . . . . . . . . . . . . . . . . . * . . . . . . .
[1]5khx.a . . . - - - - - . . . . . . . . . . . . . . . . . . . .
[1]5wo4.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

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

pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
3eyg.a:mi1
3eyh.a:iza
4e4l.b:0nh
4e4n.a:0nl
4e5w.a:0nt
4ehz.b:jak
4ei4.b:0q2
4fk6.b:0uj
4i5c.b:c5i
4ivb.a:1j5
4ivc.b:1j6
4ivd.a:15t
4k6z.a:1q3
4k77.b:1q4
5e1e.a:5jg
5hx8.a:66p
5khw.b:adp,mg
5khx.a:6te
5wo4.a:b7v
[1] 3eyg.a
0
0.1 0.4 2.7 0.2 0 0 0.5 0.2 0.1 0 0.5 0 0 0.4 0.1 1.5 0.7 0
[1] 3eyh.a 1.1
0
0.7 3.3 0.3 0 0 0.4 1.1 0 0.4 1.2 0.1 0.1 0.4 0.1 2.4 0.6 0
[1] 4e4l.b 0.6 0.6
0
1.3 1.2 0 0.1 0.4 0.3 0 0.1 0.1 0.3 0.1 0.7 0.3 0.9 0.1 0.2
[1] 4e4n.a 0.5 0.4 0
0
0.1 0 0 0.4 0 0.2 0.2 0.2 0.5 0 0.6 0.1 0.4 0 0.2
[1] 4e5w.a 0.8 0.6 0.1 2.9
0
0 0 1.1 0.5 0.4 0.4 0.8 1.0 0 0.7 0.3 2.4 0.2 0.6
[1] 4ehz.b 0.5 0.5 0 0.6 0.5
0
0.1 0.4 0.2 0 0 0 0.3 0 0.6 0.2 0.6 0 0.1
[1] 4ei4.b 0.5 0.4 0 0.6 0.3 0
0
0.3 0.1 0 0 0.1 0.2 0.1 0.6 0.2 0.3 0.1 0
[1] 4fk6.b 0.8 0.8 0 1.1 0.1 0 0
0
0.4 0 0 0.3 0.2 0 0.3 0.4 1.0 0.1 0.2
[1] 4i5c.b 0.3 0.4 0.1 2.4 0.1 0 0 0.4
0
0 0.1 0.1 0.3 0 0.5 0.1 0.7 0.1 0.1
[1] 4ivb.a 0.4 0.4 0.1 2.3 0.2 0 0 0.1 0.4
0
0 0.1 0.2 0.1 0.2 0.1 1.5 0.3 0
[1] 4ivc.b 0.9 0.7 0.2 3.1 0.1 0 0 0.1 0.5 0.1
0
0.1 0.3 0.1 0.5 0.1 1.8 0.3 0
[1] 4ivd.a 0.4 0.4 0 1.5 0.1 0 0 0.2 0.1 0 0
0
0.3 0 0.3 0.1 0.4 0 0
[1] 4k6z.a 0.7 0.7 0.6 3.0 0.6 0 0 0.3 0.7 0 0.2 0.3
0
0.1 0.6 0.2 2.3 1.1 0.2
[1] 4k77.b 0.4 0.3 0 2.1 0.1 0 0 0.7 0.1 0.1 0.1 0.2 0.5
0
0.7 0 0.8 0.1 0.3
[1] 5e1e.a 0.5 0.2 0.5 0.7 0.4 0 0 0.2 0 0.2 0.1 0.2 0.1 0
0
0.1 0.3 0.3 0
[1] 5hx8.a 0.4 0.2 0 1.4 0 0 0 0.4 0.1 0.1 0.1 0.3 0.3 0 0.5
0
1.2 0 0.2
[1] 5khw.b 0.8 0.4 0.4 0.4 0.8 0.3 0.3 1.1 0.7 0.5 0.8 0.5 1.0 0.1 1.2 0.3
0.1
0.1 0.6
[1] 5khx.a 0.7 0.5 0 0.1 0 0 0.1 0 0.1 0 0.2 0.1 0 0 0.5 0.1 0.6
0
0.1
[1] 5wo4.a 0.6 0.3 0 2.7 0.1 0 0 0 0 0 0.1 0.2 0.1 0 0.1 0.1 1.2 0.1
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

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
3eyg.a
3eyh.a
4e4l.b
4e4n.a
4e5w.a
4ehz.b
4ei4.b
4fk6.b
4i5c.b
4ivb.a
4ivc.b
4ivd.a
4k6z.a
4k77.b
5e1e.a
5hx8.a
5khw.b
5khx.a
5wo4.a
[1] 3eyg.a
0
.04 .18 .15 .18 .15 .15 .15 .10 .12 .19 .14 .08 .10 .12 .10 .17 .16 .12
[1] 3eyh.a .04
0
.21 .18 .19 .19 .19 .18 .13 .15 .20 .17 .11 .13 .14 .13 .19 .19 .14
[1] 4e4l.b .18 .21
0
.13 .15 .06 .09 .10 .12 .11 .14 .09 .16 .13 .13 .15 .16 .13 .16
[1] 4e4n.a .15 .18 .13
0
.18 .06 .06 .10 .10 .12 .17 .08 .15 .11 .08 .06 .06 .04 .14
[1] 4e5w.a .18 .19 .15 .18
0
.16 .17 .12 .12 .10 .12 .13 .13 .11 .16 .15 .18 .18 .10
[1] 4ehz.b .15 .19 .06 .06 .16
0
.03 .09 .10 .10 .13 .08 .15 .10 .09 .10 .11 .07 .15
[1] 4ei4.b .15 .19 .09 .06 .17 .03
0
.10 .09 .08 .12 .05 .15 .10 .08 .09 .11 .06 .13
[1] 4fk6.b .15 .18 .10 .10 .12 .09 .10
0
.13 .11 .14 .09 .11 .14 .09 .14 .11 .08 .12
[1] 4i5c.b .10 .13 .12 .10 .12 .10 .09 .13
0
.05 .11 .06 .08 .05 .11 .06 .15 .13 .08
[1] 4ivb.a .12 .15 .11 .12 .10 .10 .08 .11 .05
0
.08 .04 .09 .07 .09 .08 .17 .12 .06
[1] 4ivc.b .19 .20 .14 .17 .12 .13 .12 .14 .11 .08
0
.09 .14 .11 .13 .15 .20 .14 .08
[1] 4ivd.a .14 .17 .09 .08 .13 .08 .05 .09 .06 .04 .09
0
.11 .09 .08 .10 .13 .10 .09
[1] 4k6z.a .08 .11 .16 .15 .13 .15 .15 .11 .08 .09 .14 .11
0
.09 .14 .11 .18 .14 .10
[1] 4k77.b .10 .13 .13 .11 .11 .10 .10 .14 .05 .07 .11 .09 .09
0
.10 .07 .13 .13 .10
[1] 5e1e.a .12 .14 .13 .08 .16 .09 .08 .09 .11 .09 .13 .08 .14 .10
0
.08 .11 .07 .08
[1] 5hx8.a .10 .13 .15 .06 .15 .10 .09 .14 .06 .08 .15 .10 .11 .07 .08
0
.11 .11 .08
[1] 5khw.b .17 .19 .16 .06 .18 .11 .11 .11 .15 .17 .20 .13 .18 .13 .11 .11
0
.09 .18
[1] 5khx.a .16 .19 .13 .04 .18 .07 .06 .08 .13 .12 .14 .10 .14 .13 .07 .11 .09
0
.13
[1] 5wo4.a .12 .14 .16 .14 .10 .15 .13 .12 .08 .06 .08 .09 .10 .10 .08 .08 .18 .13
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.3 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
3eyg.a
3eyh.a
4e4l.b
4e4n.a
4e5w.a
4ehz.b
4ei4.b
4fk6.b
4i5c.b
4ivb.a
4ivc.b
4ivd.a
4k6z.a
4k77.b
5e1e.a
5hx8.a
5khw.b
5khx.a
5wo4.a
[1] 3eyg.a
0
0.6 1.3 1.6 1.2 1.2 1.3 1.5 1.0 1.0 1.1 1.2 0.8 0.8 1.1 1.0 1.9 0.9 1.1
[1] 3eyh.a 0.6
0
1.6 1.9 1.4 1.6 1.7 1.9 1.3 1.3 1.4 1.6 1.1 1.3 1.4 1.2 2.1 1.1 1.4
[1] 4e4l.b 1.3 1.6
0
0.9 1.0 0.3 0.3 0.4 0.9 0.9 0.5 0.4 1.1 0.7 1.0 1.0 1.7 0.2 1.0
[1] 4e4n.a 1.6 1.9 0.9
0
1.8 0.8 0.7 1.0 1.5 1.5 1.3 0.8 1.7 1.1 1.4 1.4 1.0 0.4 1.6
[1] 4e5w.a 1.2 1.4 1.0 1.8
0
1.1 1.2 1.1 0.8 0.5 0.8 1.2 0.9 1.0 1.0 0.8 2.5 0.3 0.7
[1] 4ehz.b 1.2 1.6 0.3 0.8 1.1
0
0.2 0.5 1.0 0.9 0.6 0.3 1.2 0.6 1.0 0.9 1.6 0.3 1.0
[1] 4ei4.b 1.3 1.7 0.3 0.7 1.2 0.2
0
0.5 1.0 1.0 0.7 0.2 1.3 0.7 1.1 1.0 1.5 0.3 1.1
[1] 4fk6.b 1.5 1.9 0.4 1.0 1.1 0.5 0.5
0
1.1 1.0 0.7 0.6 1.4 0.9 1.1 1.1 1.9 0.4 1.1
[1] 4i5c.b 1.0 1.3 0.9 1.5 0.8 1.0 1.0 1.1
0
0.6 0.7 0.9 0.7 0.7 0.8 0.7 2.1 0.3 0.5
[1] 4ivb.a 1.0 1.3 0.9 1.5 0.5 0.9 1.0 1.0 0.6
0
0.5 0.9 0.7 0.7 0.8 0.5 2.2 0.3 0.6
[1] 4ivc.b 1.1 1.4 0.5 1.3 0.8 0.6 0.7 0.7 0.7 0.5
0
0.6 0.9 0.5 0.9 0.8 2.0 0.3 0.7
[1] 4ivd.a 1.2 1.6 0.4 0.8 1.2 0.3 0.2 0.6 0.9 0.9 0.6
0
1.2 0.6 1.0 1.0 1.6 0.3 1.0
[1] 4k6z.a 0.8 1.1 1.1 1.7 0.9 1.2 1.3 1.4 0.7 0.7 0.9 1.2
0
0.7 1.2 0.9 2.2 0.5 0.9
[1] 4k77.b 0.8 1.3 0.7 1.1 1.0 0.6 0.7 0.9 0.7 0.7 0.5 0.6 0.7
0
1.0 0.8 1.7 0.4 0.9
[1] 5e1e.a 1.1 1.4 1.0 1.4 1.0 1.0 1.1 1.1 0.8 0.8 0.9 1.0 1.2 1.0
0
0.8 1.9 0.7 0.7
[1] 5hx8.a 1.0 1.2 1.0 1.4 0.8 0.9 1.0 1.1 0.7 0.5 0.8 1.0 0.9 0.8 0.8
0
2.0 0.4 0.8
[1] 5khw.b 1.9 2.1 1.7 1.0 2.5 1.6 1.5 1.9 2.1 2.2 2.0 1.6 2.2 1.7 1.9 2.0
0
1.1 2.3
[1] 5khx.a 0.9 1.1 0.2 0.4 0.3 0.3 0.3 0.4 0.3 0.3 0.3 0.3 0.5 0.4 0.7 0.4 1.1
0
0.3
[1] 5wo4.a 1.1 1.4 1.0 1.6 0.7 1.0 1.1 1.1 0.5 0.6 0.7 1.0 0.9 0.9 0.7 0.8 2.3 0.3
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

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
3eyg.a
3eyh.a
4e4l.b
4e4n.a
4e5w.a
4ehz.b
4ei4.b
4fk6.b
4i5c.b
4ivb.a
4ivc.b
4ivd.a
4k6z.a
4k77.b
5e1e.a
5hx8.a
5khw.b
5khx.a
5wo4.a
[1] 3eyg.a
0
0.6 2.1 2.3 1.6 1.9 2.2 2.2 1.4 1.2 1.9 2.0 1.2 1.5 1.6 1.1 2.5 1.0 1.5
[1] 3eyh.a 0.6
0
2.4 2.5 1.7 2.1 2.4 2.5 1.7 1.4 2.0 2.2 1.4 1.8 1.7 1.3 2.8 1.2 1.7
[1] 4e4l.b 2.1 2.4
0
1.2 1.7 0.8 0.6 0.7 1.5 1.8 0.8 0.9 1.9 1.3 1.7 1.1 2.1 0.8 1.6
[1] 4e4n.a 2.3 2.5 1.2
0
2.4 0.9 0.9 1.1 1.8 2.1 1.4 0.9 2.2 1.3 1.9 1.3 1.2 0.7 2.0
[1] 4e5w.a 1.6 1.7 1.7 2.4
0
1.7 1.9 1.8 1.4 1.0 1.4 1.8 1.3 1.7 1.5 0.8 3.0 0.7 1.2
[1] 4ehz.b 1.9 2.1 0.8 0.9 1.7
0
0.8 0.8 1.2 1.5 0.9 0.7 1.7 0.9 1.4 1.0 1.8 0.7 1.4
[1] 4ei4.b 2.2 2.4 0.6 0.9 1.9 0.8
0
0.6 1.6 1.9 0.8 0.8 2.1 1.3 1.8 1.1 1.8 0.7 1.7
[1] 4fk6.b 2.2 2.5 0.7 1.1 1.8 0.8 0.6
0
1.6 1.8 0.9 0.9 2.0 1.4 1.7 1.2 2.1 0.8 1.7
[1] 4i5c.b 1.4 1.7 1.5 1.8 1.4 1.2 1.6 1.6
0
1.2 1.2 1.4 1.1 1.0 1.0 0.9 2.5 0.7 0.7
[1] 4ivb.a 1.2 1.4 1.8 2.1 1.0 1.5 1.9 1.8 1.2
0
1.4 1.6 1.0 1.3 1.5 0.7 2.7 0.7 1.1
[1] 4ivc.b 1.9 2.0 0.8 1.4 1.4 0.9 0.8 0.9 1.2 1.4
0
0.8 1.6 1.0 1.5 0.9 2.2 0.7 1.3
[1] 4ivd.a 2.0 2.2 0.9 0.9 1.8 0.7 0.8 0.9 1.4 1.6 0.8
0
1.8 1.0 1.6 0.9 1.7 0.7 1.5
[1] 4k6z.a 1.2 1.4 1.9 2.2 1.3 1.7 2.1 2.0 1.1 1.0 1.6 1.8
0
1.3 1.5 1.0 2.7 0.9 1.1
[1] 4k77.b 1.5 1.8 1.3 1.3 1.7 0.9 1.3 1.4 1.0 1.3 1.0 1.0 1.3
0
1.4 0.9 1.9 0.7 1.2
[1] 5e1e.a 1.6 1.7 1.7 1.9 1.5 1.4 1.8 1.7 1.0 1.5 1.5 1.6 1.5 1.4
0
0.9 2.4 0.9 1.0
[1] 5hx8.a 1.1 1.3 1.1 1.3 0.8 1.0 1.1 1.2 0.9 0.7 0.9 0.9 1.0 0.9 0.9
0
1.8 0.7 0.8
[1] 5khw.b 2.5 2.8 2.1 1.2 3.0 1.8 1.8 2.1 2.5 2.7 2.2 1.7 2.7 1.9 2.4 1.8
0
1.1 2.6
[1] 5khx.a 1.0 1.2 0.8 0.7 0.7 0.7 0.7 0.8 0.7 0.7 0.7 0.7 0.9 0.7 0.9 0.7 1.1
0
0.6
[1] 5wo4.a 1.5 1.7 1.6 2.0 1.2 1.4 1.7 1.7 0.7 1.1 1.3 1.5 1.1 1.2 1.0 0.8 2.6 0.6
0
[Binding site full-atom RMSD matrix]







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