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IRAK4_HUMAN_158_460

Interleukin-1 receptor-associated kinase 4 [Protein kinase superfamily. TKL Ser/Thr protein kinase family. Pelle subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (IRAK4_HUMAN):D: Protein kinase (191:200, 211, 213, 233, 237, 246, 262:269, 272, 273, 277, 278, 280, 311, 313, 315, 316, 318, 328, 329)
184, 185
184, 185, 191:200, 211, 213, 233, 237, 246, 262:269, 272, 273, 277, 278, 280, 311, 313, 315, 316, 318, 328, 329

Full PDB list

2nru, 2nry, 2o8y, 2oib, 2oic, 2oid, 4rmz, 4u97, 4u9a, 4xs2, 4y73, 4yo6, 4yp8, 4ztl, 4ztm, 4ztn, 5k72, 5k75, 5k76, 5k7g, 5k7i, 5kx7, 5kx8, 5t1s, 5t1t, 5uiq, 5uir, 5uis, 5uit, 5uiu, 5w84, 5w85 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
I
1
8
5
M
1
9
2
G
1
9
3
E
1
9
4
G
1
9
5
G
1
9
6
G
1
9
8
V
2
0
0
A
2
1
1
K
2
1
3
E
2
3
3
V
2
4
6
Y
2
6
2
V
2
6
3
Y
2
6
4
M
2
6
5
P
2
6
6
N
2
6
7
G
2
6
8
S
2
6
9
D
2
7
2
R
2
7
3
L
2
7
7
T
2
8
0
D
3
1
1
K
3
1
3
A
3
1
5
N
3
1
6
L
3
1
8
S
3
2
8
D
3
2
9
[1]2nru.c t1232 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2nry.d stu35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2o8y.b none . * . . . . . . . . . . . . . * . . . . . . . . . . . . . . .
[1]2oib.d none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2oid.b anp31 . - - - . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4rmz.a unl34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4u97.a stu35 . . . . . . . . . . . . . . . . . . . . . . . . N . . . . . .
[1]4xs2.b 42p32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4y73.d xpy30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4yo6.d 4gd24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4yp8.d 4gf36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4ztl.a 4s129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4ztm.b 4s230 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4ztn.b 4s329 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5k72.c 6qy25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5k75.c 6qx22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5k76.b 6r128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5k7g.a 6r033 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5k7i.b 6qz33 . . . . - - . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5kx7.b 6yd24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5kx8.b 6ye27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5t1s.d 76q31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5t1t.c 76p23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5uiq.b 8bv13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5uir.a 8by25 - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5uis.a 8c124 . . . . . - . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5uit.a 8cd25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5uiu.b 8cg26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5w84.a 9yy28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5w85.a 9ys31 . . . . - . . . . . . . . . . . . . . . . . . . . . . . . . .

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
P
1
8
4
I
1
8
5
K
1
9
1
M
1
9
2
G
1
9
3
E
1
9
4
G
1
9
5
G
1
9
6
F
1
9
7
G
1
9
8
V
1
9
9
V
2
0
0
A
2
1
1
K
2
1
3
E
2
3
3
M
2
3
7
V
2
4
6
Y
2
6
2
V
2
6
3
Y
2
6
4
M
2
6
5
P
2
6
6
N
2
6
7
G
2
6
8
S
2
6
9
D
2
7
2
R
2
7
3
L
2
7
7
D
2
7
8
T
2
8
0
D
3
1
1
K
3
1
3
A
3
1
5
N
3
1
6
L
3
1
8
S
3
2
8
D
3
2
9
[1]2nru.c . . . . . . . * . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]2nry.d . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2o8y.b . . . mse . * * . . . . . . * . * . . . . * . . . . . . . . . . . . . . . .
[1]2oib.d . . . * . . . * . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]2oid.b . . . - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4rmz.a . . . * . . * . . . . * . * . . . . . . . . . . . . . . . . . . . . . . .
[1]4u97.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . N . . . . . .
[1]4xs2.b . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4y73.d . . . * . . . . . . . * . * . . . . . . . . . . . . . . . . . . . . . . *
[1]4yo6.d . . . * * . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]4yp8.d . . . . . . * . . . . * . * . . . . . . . . . . . . . . . . . . . . . . .
[1]4ztl.a . . . * . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4ztm.b . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]4ztn.b . . . . . . . * . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]5k72.c . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5k75.c . . . * . * * * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5k76.b . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5k7g.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5k7i.b . . . . . . - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5kx7.b . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5kx8.b . . . . * * * * . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]5t1s.d . . . . . . * * . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5t1t.c . . . . . * * * . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]5uiq.b . . . . * . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]5uir.a . - . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5uis.a . . . . . . . - - . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5uit.a . . . . . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]5uiu.b . . . * * . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]5w84.a . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5w85.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
2nru.c:t12
2nry.d:stu
2o8y.b is apo
2oib.d is apo
2oid.b:anp
4rmz.a:unl
4u97.a:stu
4xs2.b:42p
4y73.d:xpy
4yo6.d:4gd
4yp8.d:4gf
4ztl.a:4s1
4ztm.b:4s2
4ztn.b:4s3
5k72.c:6qy
5k75.c:6qx
5k76.b:6r1
5k7g.a:6r0
5k7i.b:6qz
5kx7.b:6yd
5kx8.b:6ye
5t1s.d:76q
5t1t.c:76p
5uiq.b:8bv
5uir.a:8by
5uis.a:8c1
5uit.a:8cd
5uiu.b:8cg
5w84.a:9yy
5w85.a:9ys
[1] 2nru.c
0
0.9 - - 1.2 0 1.4 1.0 0.1 0 0.2 0.3 0.1 0.2 1.0 0.2 0.8 0.8 0.6 0.4 0.2 1.3 0.2 0 0.1 0 0 0.6 1.4 0.6
[1] 2nry.d 0.4
0
- - 1.2 0.4 0.1 0.1 0.1 0.4 0.6 0 0.2 0.3 0.6 0.4 0.8 0.5 0.6 0.3 0.5 0.2 0.5 0.2 0.2 0.1 0.1 0.9 0.7 1.5
[1] 2o8y.b 0.7 1.1
-
- 1.5 0.6 1.8 0.6 0.8 0.6 0.5 0.7 0.6 0.6 1.2 0.4 1.5 1.3 1.1 0.7 0.5 1.6 0.7 0.2 0.3 0.5 0.2 1.8 1.5 2.4
[1] 2oib.d 0.8 1.1 -
-
2.0 0.4 1.8 0.8 0.6 0.4 0.8 0.8 0.3 0.5 1.4 0.9 1.4 1.3 1.1 0.7 0.3 2.1 1.0 0.1 0.4 0.1 0.1 0.7 1.9 2.4
[1] 2oid.b 0.3 0.3 - -
0
0.1 0.2 0.1 0.1 0.3 0.2 0.1 0.2 0.1 0 0.1 0.1 0 0.2 0.1 0.4 0.2 0.1 0.1 0.2 0.1 0.2 0.2 0.1 0.4
[1] 4rmz.a 0.3 1.5 - - 1.8
0
1.9 1.1 0.5 0.2 0.5 0.6 0.4 0.2 0.9 0.3 1.4 1.2 1.3 0.5 0.2 2.5 0.3 0.1 0.5 0.5 0.2 0.8 1.4 1.6
[1] 4u97.a 0.6 0 - - 0.7 0.2
0
0.4 0.2 0.4 0.7 0.4 0.6 0.6 0.3 0.3 0.6 0.2 0.6 0.3 0.7 0.5 0.2 0.6 0.4 0.3 0.4 0.8 0.3 0.9
[1] 4xs2.b 0.3 0.4 - - 2.9 0.4 0.4
0
0.2 0.3 0.6 0.1 0.1 0.3 0.7 0.6 0.8 0.6 0.8 0.3 0.4 0.3 0.7 0.3 0.3 0.1 0.2 1.0 0.7 1.7
[1] 4y73.d 0.5 2.3 - - 1.2 0.8 2.4 1.6
0.1
0.4 0.4 1.1 0.6 0.1 2.4 1.3 3.3 2.3 2.2 1.0 1.1 2.5 1.5 0.2 0.1 0.2 1.0 1.1 2.1 1.8
[1] 4yo6.d 0.3 1.6 - - 1.3 0.2 2.2 1.2 0.2
0
0.9 0.7 0.3 0.2 2.1 1.3 2.2 2.0 1.9 0.7 0.4 1.6 1.3 0.2 0.4 0 0.4 0.7 1.5 2.2
[1] 4yp8.d 0.7 3.0 - - 2.2 1.1 2.7 1.9 0.2 0.4
0
1.5 1.0 0.7 1.6 1.4 2.0 1.4 1.6 1.3 0.7 2.7 1.3 0.3 0.3 0.3 0.7 0.6 2.6 1.7
[1] 4ztl.a 0.3 0.5 - - 2.1 0.4 0.7 0 0.3 0.3 0.7
0
0.2 0.4 0.9 0.5 1.0 0.9 1.0 0.2 0.4 0.5 0.6 0.2 0.2 0.1 0.1 0.6 0.6 1.8
[1] 4ztm.b 0.5 0.8 - - 0.3 0.3 0.8 0.8 0 0.1 0.5 0.2
0.1
0.2 1.0 0.7 1.5 1.1 1.3 0.5 0.4 0.5 0.8 0.2 0.3 0.1 0.2 0.2 1.3 1.5
[1] 4ztn.b 0.4 1.4 - - 1.4 0.1 1.5 0.7 0 0.1 0.3 0.6 0.1
0
1.1 0.6 1.3 1.0 1.0 0.5 0.3 1.3 0.6 0.1 0.2 0.1 0 0.2 1.2 0.9
[1] 5k72.c 0.3 0.6 - - 0.1 0 0.8 0.4 0.1 0.1 0.1 0.4 0.5 0.1
0
0 0.2 0 0 0.2 0.5 0.7 0 0.1 0.1 0.1 0.1 0.2 0.6 0.2
[1] 5k75.c 1.5 2.8 - - 3.8 1.5 4.1 1.8 2.5 1.2 1.6 2.3 1.3 1.8 0.3
0
0.3 0.1 0.1 1.3 1.3 3.2 0 0 0.7 1.1 0.7 3.0 2.5 5.0
[1] 5k76.b 0.1 0.6 - - 0 0 0.3 0.3 0.1 0 0 0.2 0.2 0.1 0 0.1
0
0 0.1 0 0.2 0.2 0.1 0 0.1 0 0 0 0.3 0.1
[1] 5k7g.a 0.4 0.4 - - 0.1 0.1 0.6 0.4 0 0.2 0.3 0.3 0.3 0.1 0 0 0.2
0
0.1 0.2 0.4 0.1 0.1 0.2 0.1 0.1 0.2 0.2 0.5 0.5
[1] 5k7i.b 0.3 0.6 - - 0 0.1 0.7 0.4 0.1 0 0.1 0.3 0.5 0.2 0 0.1 0 0
0.1
0.2 0.3 0.4 0.2 0 0 0 0 0.1 0.5 0.2
[1] 5kx7.b 0.3 0.7 - - 1.3 0.3 1.5 0.4 0.2 0.1 0.7 0.3 0.3 0.2 0.9 0.5 1.2 1.1 1.0
0
0.3 0.9 0.7 0.3 0.2 0.1 0.1 0.5 1.4 2.2
[1] 5kx8.b 0.6 2.2 - - 4.8 0.5 2.8 1.4 1.2 0 1.1 1.8 0.5 0.3 1.9 1.3 2.1 2.2 2.0 0.5
0
1.5 1.3 0.2 1.4 1.6 0.9 2.5 2.0 3.8
[1] 5t1s.d 0.3 0.8 - - 3.0 0.1 0.6 0.2 0.1 0.2 0.3 0.3 0.3 0.1 0.4 0.3 0.5 0.3 0.3 0.1 0.3
0.1
0.3 0.1 0.2 0.2 0.2 1.0 0.7 1.5
[1] 5t1t.c 0.1 3.1 - - 3.9 0.1 3.2 1.1 1.7 0.2 0.3 1.9 0.3 0.1 0.8 0 0.6 0.6 0.6 1.1 0.2 1.1
0
0 0.6 1.5 1.2 2.9 1.6 3.5
[1] 5uiq.b 0.2 0.9 - - 1.8 0.2 1.6 0.6 0.2 0.1 0.8 0.2 0.2 0.1 0.9 0.9 1.4 1.2 1.2 0.1 0.2 1.2 0.7
0
0.2 0.1 0 0.6 1.4 1.7
[1] 5uir.a 0.6 1.2 - - 0.8 0.4 1.4 0.6 0.2 0.5 0.3 0.6 0.4 0.2 1.0 1.0 1.2 1.1 1.0 0.4 0.6 1.8 1.1 0.2
0
0.1 0.2 0.2 1.4 1.5
[1] 5uis.a 0.2 0.5 - - 0.6 0 0.8 0.4 0 0 0.4 0.3 0.1 0 0.7 0.7 0.6 0.5 0.6 0.1 0.3 0.6 0.6 0 0
0
0.1 0.4 1.0 1.0
[1] 5uit.a 0.2 0.9 - - 1.4 0.2 1.6 0.4 0.2 0 0.3 0.3 0.2 0.1 1.0 0.7 1.3 1.2 1.0 0.2 0.2 1.3 0.7 0 0.3 0.2
0
0.8 1.1 1.8
[1] 5uiu.b 0.6 1.6 - - 0.6 0.4 2.1 0.9 0 0.1 0.7 0.7 0.5 0.4 1.5 1.7 2.1 1.9 1.7 0.5 0.3 2.0 1.7 0.2 0.1 0.1 0.1
0
1.7 1.9
[1] 5w84.a 0.3 0.5 - - 1.0 0.3 0.2 0.3 0.1 0.2 0.4 0.2 0.3 0.4 0.2 0.1 0.2 0.1 0.2 0.2 0.5 0.2 0.2 0.3 0.1 0.2 0.4 0.7
0.1
0.2
[1] 5w85.a 0.2 0.4 - - 0.4 0 0.6 0.2 0.1 0.3 0.1 0.2 0.2 0.1 0.1 0.1 0.2 0 0 0.1 0.2 0.4 0.1 0.1 0.1 0 0.2 0.3 0.2
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
2nru.c
2nry.d
2o8y.b
2oib.d
2oid.b
4rmz.a
4u97.a
4xs2.b
4y73.d
4yo6.d
4yp8.d
4ztl.a
4ztm.b
4ztn.b
5k72.c
5k75.c
5k76.b
5k7g.a
5k7i.b
5kx7.b
5kx8.b
5t1s.d
5t1t.c
5uiq.b
5uir.a
5uis.a
5uit.a
5uiu.b
5w84.a
5w85.a
[1] 2nru.c
0
.13 .13 .09 .12 .09 .15 .15 .16 .10 .17 .12 .10 .04 .09 .19 .10 .11 .10 .10 .18 .14 .13 .11 .13 .11 .12 .12 .14 .10
[1] 2nry.d .13
0
.09 .14 .08 .16 .07 .07 .18 .10 .21 .06 .09 .13 .09 .21 .09 .08 .10 .08 .18 .11 .17 .10 .10 .08 .10 .13 .11 .12
[1] 2o8y.b .13 .09
0
.11 .12 .11 .12 .10 .17 .10 .17 .10 .11 .12 .12 .17 .12 .13 .13 .10 .14 .14 .14 .06 .12 .13 .06 .13 .15 .12
[1] 2oib.d .09 .14 .11
0
.16 .10 .19 .16 .15 .11 .19 .14 .14 .08 .13 .14 .15 .16 .15 .12 .15 .14 .12 .09 .12 .13 .08 .11 .19 .15
[1] 2oid.b .12 .08 .12 .16
0
.18 .06 .13 .20 .15 .21 .10 .09 .12 .06 .23 .03 .04 .04 .12 .23 .13 .18 .16 .12 .09 .15 .15 .05 .06
[1] 4rmz.a .09 .16 .11 .10 .18
0
.18 .15 .13 .11 .12 .12 .15 .10 .14 .14 .16 .16 .15 .12 .14 .12 .14 .09 .11 .14 .10 .11 .20 .15
[1] 4u97.a .15 .07 .12 .19 .06 .18
0
.12 .21 .14 .20 .09 .11 .14 .09 .23 .07 .07 .08 .13 .22 .13 .19 .16 .14 .10 .15 .16 .08 .11
[1] 4xs2.b .15 .07 .10 .16 .13 .15 .12
0
.18 .11 .18 .06 .11 .14 .12 .16 .12 .13 .14 .09 .12 .06 .12 .09 .13 .11 .09 .14 .15 .15
[1] 4y73.d .16 .18 .17 .15 .20 .13 .21 .18
0
.11 .09 .17 .13 .15 .16 .24 .18 .18 .16 .11 .19 .19 .23 .15 .10 .13 .14 .09 .22 .19
[1] 4yo6.d .10 .10 .10 .11 .15 .11 .14 .11 .11
0
.15 .11 .08 .10 .11 .19 .13 .13 .12 .06 .11 .12 .15 .08 .11 .08 .08 .08 .15 .15
[1] 4yp8.d .17 .21 .17 .19 .21 .12 .20 .18 .09 .15
0
.17 .17 .16 .16 .21 .18 .18 .17 .15 .18 .19 .19 .16 .13 .16 .14 .12 .22 .20
[1] 4ztl.a .12 .06 .10 .14 .10 .12 .09 .06 .17 .11 .17
0
.09 .11 .09 .17 .11 .10 .11 .08 .14 .07 .14 .08 .11 .09 .10 .14 .13 .13
[1] 4ztm.b .10 .09 .11 .14 .09 .15 .11 .11 .13 .08 .17 .09
0
.09 .07 .21 .08 .08 .08 .07 .16 .13 .19 .11 .09 .07 .11 .09 .10 .10
[1] 4ztn.b .04 .13 .12 .08 .12 .10 .14 .14 .15 .10 .16 .11 .09
0
.09 .17 .09 .10 .10 .09 .16 .13 .11 .10 .12 .09 .12 .11 .13 .09
[1] 5k72.c .09 .09 .12 .13 .06 .14 .09 .12 .16 .11 .16 .09 .07 .09
0
.19 .04 .03 .03 .08 .19 .12 .16 .12 .09 .07 .11 .10 .08 .07
[1] 5k75.c .19 .21 .17 .14 .23 .14 .23 .16 .24 .19 .21 .17 .21 .17 .19
0
.21 .21 .21 .21 .18 .15 .11 .16 .19 .21 .16 .21 .24 .21
[1] 5k76.b .10 .09 .12 .15 .03 .16 .07 .12 .18 .13 .18 .11 .08 .09 .04 .21
0
.03 .03 .10 .21 .11 .15 .13 .11 .07 .12 .12 .06 .04
[1] 5k7g.a .11 .08 .13 .16 .04 .16 .07 .13 .18 .13 .18 .10 .08 .10 .03 .21 .03
0
.02 .09 .21 .11 .18 .14 .10 .08 .13 .13 .06 .06
[1] 5k7i.b .10 .10 .13 .15 .04 .15 .08 .14 .16 .12 .17 .11 .08 .10 .03 .21 .03 .02
0
.09 .19 .11 .17 .13 .09 .07 .13 .12 .06 .05
[1] 5kx7.b .10 .08 .10 .12 .12 .12 .13 .09 .11 .06 .15 .08 .07 .09 .08 .21 .10 .09 .09
0
.13 .10 .17 .08 .06 .07 .09 .07 .13 .13
[1] 5kx8.b .18 .18 .14 .15 .23 .14 .22 .12 .19 .11 .18 .14 .16 .16 .19 .18 .21 .21 .19 .13
0
.11 .14 .11 .18 .16 .13 .15 .24 .21
[1] 5t1s.d .14 .11 .14 .14 .13 .12 .13 .06 .19 .12 .19 .07 .13 .13 .12 .15 .11 .11 .11 .10 .11
0
.11 .09 .13 .11 .11 .14 .14 .12
[1] 5t1t.c .13 .17 .14 .12 .18 .14 .19 .12 .23 .15 .19 .14 .19 .11 .16 .11 .15 .18 .17 .17 .14 .11
0
.12 .19 .17 .13 .19 .19 .15
[1] 5uiq.b .11 .10 .06 .09 .16 .09 .16 .09 .15 .08 .16 .08 .11 .10 .12 .16 .13 .14 .13 .08 .11 .09 .12
0
.12 .11 .05 .11 .17 .11
[1] 5uir.a .13 .10 .12 .12 .12 .11 .14 .13 .10 .11 .13 .11 .09 .12 .09 .19 .11 .10 .09 .06 .18 .13 .19 .12
0
.08 .10 .07 .14 .12
[1] 5uis.a .11 .08 .13 .13 .09 .14 .10 .11 .13 .08 .16 .09 .07 .09 .07 .21 .07 .08 .07 .07 .16 .11 .17 .11 .08
0
.11 .09 .10 .10
[1] 5uit.a .12 .10 .06 .08 .15 .10 .15 .09 .14 .08 .14 .10 .11 .12 .11 .16 .12 .13 .13 .09 .13 .11 .13 .05 .10 .11
0
.08 .17 .14
[1] 5uiu.b .12 .13 .13 .11 .15 .11 .16 .14 .09 .08 .12 .14 .09 .11 .10 .21 .12 .13 .12 .07 .15 .14 .19 .11 .07 .09 .08
0
.17 .14
[1] 5w84.a .14 .11 .15 .19 .05 .20 .08 .15 .22 .15 .22 .13 .10 .13 .08 .24 .06 .06 .06 .13 .24 .14 .19 .17 .14 .10 .17 .17
0
.08
[1] 5w85.a .10 .12 .12 .15 .06 .15 .11 .15 .19 .15 .20 .13 .10 .09 .07 .21 .04 .06 .05 .13 .21 .12 .15 .11 .12 .10 .14 .14 .08
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

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
2nru.c
2nry.d
2o8y.b
2oib.d
2oid.b
4rmz.a
4u97.a
4xs2.b
4y73.d
4yo6.d
4yp8.d
4ztl.a
4ztm.b
4ztn.b
5k72.c
5k75.c
5k76.b
5k7g.a
5k7i.b
5kx7.b
5kx8.b
5t1s.d
5t1t.c
5uiq.b
5uir.a
5uis.a
5uit.a
5uiu.b
5w84.a
5w85.a
[1] 2nru.c
0
2.3 1.3 0.9 0.9 0.8 2.0 2.0 1.1 1.7 1.1 2.0 1.8 1.0 0.9 1.1 1.4 1.6 0.7 1.6 1.7 1.5 1.1 1.0 1.0 1.4 1.2 1.3 1.7 1.4
[1] 2nry.d 2.3
0
1.7 2.0 2.3 2.2 0.9 1.0 2.5 1.6 2.5 0.9 1.5 1.6 2.3 2.5 1.9 1.7 1.7 1.7 1.3 1.2 2.1 1.7 1.9 1.1 1.8 2.1 1.7 1.6
[1] 2o8y.b 1.3 1.7
0
1.1 1.0 1.1 1.5 1.4 1.4 1.1 1.3 1.5 1.3 1.1 1.0 1.3 0.9 1.0 0.8 1.1 1.3 1.2 1.1 0.8 1.0 0.9 0.7 1.2 1.0 1.2
[1] 2oib.d 0.9 2.0 1.1
0
1.1 1.0 1.8 1.7 1.2 1.4 1.2 1.8 1.7 0.9 1.1 1.1 1.4 1.4 0.9 1.4 1.4 1.2 1.0 0.7 1.0 1.0 0.9 1.2 1.6 1.3
[1] 2oid.b 0.9 2.3 1.0 1.1
0
1.0 2.0 1.9 1.3 1.8 1.2 2.1 1.7 1.4 0.6 0.9 1.1 1.5 0.8 1.7 1.8 1.6 1.1 1.1 1.1 1.5 1.2 1.4 1.4 1.2
[1] 4rmz.a 0.8 2.2 1.1 1.0 1.0
0
2.1 1.8 0.7 1.4 0.8 1.9 1.7 1.1 0.9 1.0 1.5 1.5 0.8 1.4 1.4 1.4 1.1 1.0 0.8 1.3 1.0 0.9 1.7 1.6
[1] 4u97.a 2.0 0.9 1.5 1.8 2.0 2.1
0
1.3 2.4 1.7 2.4 1.1 1.6 1.6 2.0 2.2 1.6 1.6 1.5 1.8 1.5 1.2 1.8 1.6 1.9 1.1 1.8 2.1 1.4 1.3
[1] 4xs2.b 2.0 1.0 1.4 1.7 1.9 1.8 1.3
0
1.9 1.4 1.9 0.8 1.1 1.2 1.9 2.2 1.7 1.4 1.4 1.4 0.8 0.8 1.8 1.5 1.5 1.1 1.4 1.7 1.5 1.6
[1] 4y73.d 1.1 2.5 1.4 1.2 1.3 0.7 2.4 1.9
0
1.3 0.6 2.0 1.7 1.2 1.1 1.5 1.7 1.5 1.0 1.3 1.6 1.6 1.5 1.3 0.7 1.3 1.0 0.7 1.9 1.9
[1] 4yo6.d 1.7 1.6 1.1 1.4 1.8 1.4 1.7 1.4 1.3
0
1.5 1.3 1.1 1.2 1.5 2.0 1.4 1.0 1.4 0.4 1.2 1.2 1.9 1.2 0.8 0.4 0.9 0.8 1.4 1.6
[1] 4yp8.d 1.1 2.5 1.3 1.2 1.2 0.8 2.4 1.9 0.6 1.5
0
2.1 1.8 1.3 1.0 1.3 1.6 1.5 0.9 1.4 1.6 1.6 1.3 1.3 0.8 1.3 1.0 1.0 1.8 1.7
[1] 4ztl.a 2.0 0.9 1.5 1.8 2.1 1.9 1.1 0.8 2.0 1.3 2.1
0
1.2 1.2 2.1 2.4 1.8 1.5 1.5 1.3 1.1 1.0 1.9 1.6 1.6 0.8 1.5 1.8 1.6 1.6
[1] 4ztm.b 1.8 1.5 1.3 1.7 1.7 1.7 1.6 1.1 1.7 1.1 1.8 1.2
0
1.1 1.6 2.2 1.4 1.1 1.2 1.1 1.3 1.3 1.9 1.5 1.2 0.9 1.3 1.4 1.2 1.5
[1] 4ztn.b 1.0 1.6 1.1 0.9 1.4 1.1 1.6 1.2 1.2 1.2 1.3 1.2 1.1
0
1.3 1.5 1.4 1.3 0.8 1.2 0.9 0.9 1.2 0.9 0.9 0.8 1.0 1.2 1.4 1.3
[1] 5k72.c 0.9 2.3 1.0 1.1 0.6 0.9 2.0 1.9 1.1 1.5 1.0 2.1 1.6 1.3
0
1.2 0.9 1.1 0.4 1.5 1.8 1.6 1.3 1.1 0.9 1.3 1.0 1.1 1.2 1.3
[1] 5k75.c 1.1 2.5 1.3 1.1 0.9 1.0 2.2 2.2 1.5 2.0 1.3 2.4 2.2 1.5 1.2
0
1.7 1.9 1.0 2.0 1.8 1.7 0.7 1.2 1.4 1.8 1.4 1.7 2.0 1.6
[1] 5k76.b 1.4 1.9 0.9 1.4 1.1 1.5 1.6 1.7 1.7 1.4 1.6 1.8 1.4 1.4 0.9 1.7
0
0.7 0.8 1.4 1.8 1.5 1.5 1.2 1.2 1.0 1.1 1.4 0.7 0.9
[1] 5k7g.a 1.6 1.7 1.0 1.4 1.5 1.5 1.6 1.4 1.5 1.0 1.5 1.5 1.1 1.3 1.1 1.9 0.7
0
1.0 0.9 1.6 1.3 1.7 1.3 0.9 0.7 1.0 1.1 0.7 1.1
[1] 5k7i.b 0.7 1.7 0.8 0.9 0.8 0.8 1.5 1.4 1.0 1.4 0.9 1.5 1.2 0.8 0.4 1.0 0.8 1.0
0
1.3 1.2 1.0 0.7 0.8 0.6 1.1 0.9 1.0 1.1 1.0
[1] 5kx7.b 1.6 1.7 1.1 1.4 1.7 1.4 1.8 1.4 1.3 0.4 1.4 1.3 1.1 1.2 1.5 2.0 1.4 0.9 1.3
0
1.3 1.2 1.9 1.3 0.8 0.5 0.9 0.8 1.3 1.6
[1] 5kx8.b 1.7 1.3 1.3 1.4 1.8 1.4 1.5 0.8 1.6 1.2 1.6 1.1 1.3 0.9 1.8 1.8 1.8 1.6 1.2 1.3
0
0.8 1.5 1.2 1.3 1.0 1.1 1.4 1.7 1.7
[1] 5t1s.d 1.5 1.2 1.2 1.2 1.6 1.4 1.2 0.8 1.6 1.2 1.6 1.0 1.3 0.9 1.6 1.7 1.5 1.3 1.0 1.2 0.8
0
1.4 1.1 1.2 0.7 1.1 1.4 1.4 1.3
[1] 5t1t.c 1.1 2.1 1.1 1.0 1.1 1.1 1.8 1.8 1.5 1.9 1.3 1.9 1.9 1.2 1.3 0.7 1.5 1.7 0.7 1.9 1.5 1.4
0
1.0 1.3 1.5 1.3 1.7 1.8 1.2
[1] 5uiq.b 1.0 1.7 0.8 0.7 1.1 1.0 1.6 1.5 1.3 1.2 1.3 1.6 1.5 0.9 1.1 1.2 1.2 1.3 0.8 1.3 1.2 1.1 1.0
0
0.9 1.0 0.8 1.2 1.4 1.2
[1] 5uir.a 1.0 1.9 1.0 1.0 1.1 0.8 1.9 1.5 0.7 0.8 0.8 1.6 1.2 0.9 0.9 1.4 1.2 0.9 0.6 0.8 1.3 1.2 1.3 0.9
0
0.7 0.7 0.6 1.3 1.4
[1] 5uis.a 1.4 1.1 0.9 1.0 1.5 1.3 1.1 1.1 1.3 0.4 1.3 0.8 0.9 0.8 1.3 1.8 1.0 0.7 1.1 0.5 1.0 0.7 1.5 1.0 0.7
0
0.7 0.8 1.0 1.2
[1] 5uit.a 1.2 1.8 0.7 0.9 1.2 1.0 1.8 1.4 1.0 0.9 1.0 1.5 1.3 1.0 1.0 1.4 1.1 1.0 0.9 0.9 1.1 1.1 1.3 0.8 0.7 0.7
0
0.8 1.2 1.3
[1] 5uiu.b 1.3 2.1 1.2 1.2 1.4 0.9 2.1 1.7 0.7 0.8 1.0 1.8 1.4 1.2 1.1 1.7 1.4 1.1 1.0 0.8 1.4 1.4 1.7 1.2 0.6 0.8 0.8
0
1.6 1.7
[1] 5w84.a 1.7 1.7 1.0 1.6 1.4 1.7 1.4 1.5 1.9 1.4 1.8 1.6 1.2 1.4 1.2 2.0 0.7 0.7 1.1 1.3 1.7 1.4 1.8 1.4 1.3 1.0 1.2 1.6
0
1.1
[1] 5w85.a 1.4 1.6 1.2 1.3 1.2 1.6 1.3 1.6 1.9 1.6 1.7 1.6 1.5 1.3 1.3 1.6 0.9 1.1 1.0 1.6 1.7 1.3 1.2 1.2 1.4 1.2 1.3 1.7 1.1
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.3 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
2nru.c
2nry.d
2o8y.b
2oib.d
2oid.b
4rmz.a
4u97.a
4xs2.b
4y73.d
4yo6.d
4yp8.d
4ztl.a
4ztm.b
4ztn.b
5k72.c
5k75.c
5k76.b
5k7g.a
5k7i.b
5kx7.b
5kx8.b
5t1s.d
5t1t.c
5uiq.b
5uir.a
5uis.a
5uit.a
5uiu.b
5w84.a
5w85.a
[1] 2nru.c
0
2.2 1.3 1.2 1.2 1.1 2.2 2.4 1.5 1.8 1.5 2.3 1.9 1.4 1.2 1.3 1.6 1.8 1.2 1.8 2.0 1.8 1.4 1.1 1.4 1.5 1.5 1.5 1.8 2.0
[1] 2nry.d 2.2
0
1.8 1.9 2.1 2.2 1.1 1.6 2.4 1.7 2.5 1.2 1.6 1.7 2.2 2.4 1.9 1.6 1.8 1.7 1.5 1.5 2.1 1.8 1.9 1.3 1.8 2.0 1.9 2.1
[1] 2o8y.b 1.3 1.8
0
1.2 1.2 1.4 1.7 1.9 1.6 1.4 1.6 1.9 1.5 1.3 1.2 1.5 1.4 1.4 1.2 1.4 1.6 1.5 1.4 1.1 1.2 1.1 1.1 1.4 1.3 1.7
[1] 2oib.d 1.2 1.9 1.2
0
1.1 1.1 1.9 1.9 1.3 1.4 1.3 1.9 1.7 1.0 1.1 1.2 1.5 1.4 1.1 1.4 1.5 1.4 1.2 0.9 1.1 1.2 0.9 1.1 1.7 1.7
[1] 2oid.b 1.2 2.1 1.2 1.1
0
1.3 2.0 2.0 1.5 1.9 1.5 2.1 1.8 1.4 0.9 1.0 1.3 1.5 1.1 1.8 1.8 1.6 1.3 1.2 1.3 1.6 1.2 1.5 1.7 1.6
[1] 4rmz.a 1.1 2.2 1.4 1.1 1.3
0
2.2 2.1 1.0 1.5 1.0 2.1 1.7 1.2 1.1 1.1 1.6 1.6 1.0 1.5 1.5 1.5 1.2 1.0 0.9 1.4 1.1 1.1 2.0 2.0
[1] 4u97.a 2.2 1.1 1.7 1.9 2.0 2.2
0
1.6 2.4 1.8 2.3 1.3 1.6 1.6 1.9 2.2 1.5 1.4 1.6 1.7 1.7 1.4 1.8 1.7 1.8 1.3 1.8 2.1 1.6 1.8
[1] 4xs2.b 2.4 1.6 1.9 1.9 2.0 2.1 1.6
0
2.0 1.7 2.1 1.1 1.5 1.4 2.0 2.2 1.9 1.6 1.7 1.6 1.1 1.1 1.9 1.7 1.7 1.2 1.6 1.9 1.9 1.6
[1] 4y73.d 1.5 2.4 1.6 1.3 1.5 1.0 2.4 2.0
0
1.4 0.8 2.1 1.7 1.2 1.2 1.6 1.8 1.6 1.1 1.4 1.5 1.5 1.5 1.4 1.0 1.3 1.3 1.0 2.0 2.1
[1] 4yo6.d 1.8 1.7 1.4 1.4 1.9 1.5 1.8 1.7 1.4
0
1.5 1.5 1.1 1.1 1.6 2.0 1.6 1.1 1.4 0.8 1.3 1.3 1.7 1.4 1.0 0.7 1.2 1.1 1.6 1.9
[1] 4yp8.d 1.5 2.5 1.6 1.3 1.5 1.0 2.3 2.1 0.8 1.5
0
2.2 1.7 1.2 1.1 1.4 1.6 1.5 1.1 1.5 1.6 1.5 1.3 1.3 1.0 1.4 1.2 1.1 1.9 2.0
[1] 4ztl.a 2.3 1.2 1.9 1.9 2.1 2.1 1.3 1.1 2.1 1.5 2.2
0
1.4 1.4 2.1 2.4 1.9 1.5 1.7 1.4 1.2 1.2 1.9 1.8 1.6 1.2 1.6 1.9 1.9 1.8
[1] 4ztm.b 1.9 1.6 1.5 1.7 1.8 1.7 1.6 1.5 1.7 1.1 1.7 1.4
0
1.1 1.6 2.1 1.5 1.2 1.3 1.2 1.4 1.3 1.8 1.5 1.3 1.0 1.5 1.6 1.4 1.9
[1] 4ztn.b 1.4 1.7 1.3 1.0 1.4 1.2 1.6 1.4 1.2 1.1 1.2 1.4 1.1
0
1.2 1.5 1.4 1.2 0.9 1.2 1.0 0.9 1.2 1.0 0.8 0.9 1.1 1.2 1.6 1.6
[1] 5k72.c 1.2 2.2 1.2 1.1 0.9 1.1 1.9 2.0 1.2 1.6 1.1 2.1 1.6 1.2
0
1.2 1.1 1.1 0.6 1.5 1.7 1.5 1.3 1.2 1.0 1.3 1.1 1.2 1.5 1.6
[1] 5k75.c 1.3 2.4 1.5 1.2 1.0 1.1 2.2 2.2 1.6 2.0 1.4 2.4 2.1 1.5 1.2
0
1.7 1.9 1.2 2.0 1.9 1.7 1.1 1.2 1.4 1.8 1.4 1.6 2.0 1.8
[1] 5k76.b 1.6 1.9 1.4 1.5 1.3 1.6 1.5 1.9 1.8 1.6 1.6 1.9 1.5 1.4 1.1 1.7
0
0.9 1.0 1.6 1.8 1.5 1.5 1.3 1.3 1.2 1.3 1.6 1.2 1.5
[1] 5k7g.a 1.8 1.6 1.4 1.4 1.5 1.6 1.4 1.6 1.6 1.1 1.5 1.5 1.2 1.2 1.1 1.9 0.9
0
0.9 1.1 1.5 1.2 1.6 1.3 1.0 0.9 1.2 1.3 1.2 1.5
[1] 5k7i.b 1.2 1.8 1.2 1.1 1.1 1.0 1.6 1.7 1.1 1.4 1.1 1.7 1.3 0.9 0.6 1.2 1.0 0.9
0
1.4 1.4 1.1 1.0 1.0 0.8 1.2 1.1 1.2 1.4 1.6
[1] 5kx7.b 1.8 1.7 1.4 1.4 1.8 1.5 1.7 1.6 1.4 0.8 1.5 1.4 1.2 1.2 1.5 2.0 1.6 1.1 1.4
0
1.3 1.2 1.7 1.4 1.0 0.8 1.1 1.0 1.6 1.8
[1] 5kx8.b 2.0 1.5 1.6 1.5 1.8 1.5 1.7 1.1 1.5 1.3 1.6 1.2 1.4 1.0 1.7 1.9 1.8 1.5 1.4 1.3
0
0.9 1.5 1.4 1.2 1.1 1.2 1.4 1.9 1.8
[1] 5t1s.d 1.8 1.5 1.5 1.4 1.6 1.5 1.4 1.1 1.5 1.3 1.5 1.2 1.3 0.9 1.5 1.7 1.5 1.2 1.1 1.2 0.9
0
1.4 1.2 1.1 0.8 1.2 1.4 1.7 1.6
[1] 5t1t.c 1.4 2.1 1.4 1.2 1.3 1.2 1.8 1.9 1.5 1.7 1.3 1.9 1.8 1.2 1.3 1.1 1.5 1.6 1.0 1.7 1.5 1.4
0
1.1 1.2 1.5 1.4 1.7 1.8 1.6
[1] 5uiq.b 1.1 1.8 1.1 0.9 1.2 1.0 1.7 1.7 1.4 1.4 1.3 1.8 1.5 1.0 1.2 1.2 1.3 1.3 1.0 1.4 1.4 1.2 1.1
0
0.9 1.1 1.0 1.3 1.5 1.4
[1] 5uir.a 1.4 1.9 1.2 1.1 1.3 0.9 1.8 1.7 1.0 1.0 1.0 1.6 1.3 0.8 1.0 1.4 1.3 1.0 0.8 1.0 1.2 1.1 1.2 0.9
0
0.8 0.9 0.9 1.6 1.7
[1] 5uis.a 1.5 1.3 1.1 1.2 1.6 1.4 1.3 1.2 1.3 0.7 1.4 1.2 1.0 0.9 1.3 1.8 1.2 0.9 1.2 0.8 1.1 0.8 1.5 1.1 0.8
0
0.9 1.0 1.2 1.3
[1] 5uit.a 1.5 1.8 1.1 0.9 1.2 1.1 1.8 1.6 1.3 1.2 1.2 1.6 1.5 1.1 1.1 1.4 1.3 1.2 1.1 1.1 1.2 1.2 1.4 1.0 0.9 0.9
0
0.8 1.6 1.6
[1] 5uiu.b 1.5 2.0 1.4 1.1 1.5 1.1 2.1 1.9 1.0 1.1 1.1 1.9 1.6 1.2 1.2 1.6 1.6 1.3 1.2 1.0 1.4 1.4 1.7 1.3 0.9 1.0 0.8
0
1.8 1.9
[1] 5w84.a 1.8 1.9 1.3 1.7 1.7 2.0 1.6 1.9 2.0 1.6 1.9 1.9 1.4 1.6 1.5 2.0 1.2 1.2 1.4 1.6 1.9 1.7 1.8 1.5 1.6 1.2 1.6 1.8
0
1.6
[1] 5w85.a 2.0 2.1 1.7 1.7 1.6 2.0 1.8 1.6 2.1 1.9 2.0 1.8 1.9 1.6 1.6 1.8 1.5 1.5 1.6 1.8 1.8 1.6 1.6 1.4 1.7 1.3 1.6 1.9 1.6
0
[Binding site full-atom RMSD matrix]







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