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CDK8_HUMAN_1_364

Cyclin-dependent kinase 8 [Protein kinase superfamily. CMGC Ser/Thr protein kinase family. CDC2/CDKX subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CDK8_HUMAN):D: Protein kinase (27, 28, 32, 35, 50, 52, 61:63, 65, 66, 69, 70, 73, 78, 79, 97:101, 103, 105, 106, 142, 147:150, 155, 156, 158, 171:178)
356, 359
27, 28, 32, 35, 50, 52, 61:63, 65, 66, 69, 70, 73, 78, 79, 97:101, 103, 105, 106, 142, 147:150, 155, 156, 158, 171:178, 356, 359

Full PDB list

3rgf, 4crl, 4f6s, 4f6u, 4f6w, 4f70, 4f7j, 4f7l, 4f7n, 4f7s, 4g6l, 5bnj, 5cei, 5fgk, 5hbe, 5hbh, 5hbj, 5hnb, 5hvy, 5i5z, 5icp, 5idn, 5idp, 5xqx, 5xs2

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
V
2
7
G
2
8
Y
3
2
V
3
5
A
5
0
K
5
2
S
6
2
R
6
5
E
6
6
L
6
9
L
7
0
L
7
3
V
7
8
I
7
9
F
9
7
D
9
8
Y
9
9
A
1
0
0
E
1
0
1
D
1
0
3
W
1
0
5
H
1
0
6
L
1
4
2
V
1
4
7
L
1
4
8
H
1
4
9
A
1
5
5
N
1
5
6
L
1
5
8
I
1
7
1
A
1
7
2
D
1
7
3
M
1
7
4
G
1
7
5
F
1
7
6
R
3
5
6
[1]3rgf.a bax32 . - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[1]4crl.a c1i35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4f6s.a 0sq20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4f6u.a 0sr29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4f6w.a 0ss47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4f70.a 0st28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - .
[1]4f7j.a 0su23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4f7l.a 0so31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - .
[1]4f7n.a 0sv26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4f7s.a 0sw19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4g6l.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5bnj.a 4tv30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5cei.a 50r21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5fgk.a 5xg28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5hbe.a 5y630 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5hbh.a 5y733 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5hbj.a 5y829 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5hnb.a 62m26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5hvy.a 66x34 . . - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5i5z.a 68u26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5icp.a 69z23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5idp.a 6a625 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]5idn.a 6a724 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]5xqx.a 8cc15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]5xs2.a 8d615 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
V
2
7
G
2
8
Y
3
2
V
3
5
A
5
0
K
5
2
M
6
1
S
6
2
A
6
3
R
6
5
E
6
6
L
6
9
L
7
0
L
7
3
V
7
8
I
7
9
F
9
7
D
9
8
Y
9
9
A
1
0
0
E
1
0
1
D
1
0
3
W
1
0
5
H
1
0
6
L
1
4
2
V
1
4
7
L
1
4
8
H
1
4
9
R
1
5
0
A
1
5
5
N
1
5
6
L
1
5
8
I
1
7
1
A
1
7
2
D
1
7
3
M
1
7
4
G
1
7
5
F
1
7
6
A
1
7
7
R
1
7
8
R
3
5
6
L
3
5
9
[1]3rgf.a . - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * . . - -
[1]4crl.a . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * . . * .
[1]4f6s.a . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . * . . . - * .
[1]4f6u.a . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . * . . - - * .
[1]4f6w.a . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . * . . . - * .
[1]4f70.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * - - - - * .
[1]4f7j.a . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . * . . - - * .
[1]4f7l.a . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . * . - - - * .
[1]4f7n.a . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . * . . - - * .
[1]4f7s.a * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * . * . . * .
[1]4g6l.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * . * . . * .
[1]5bnj.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * . . * .
[1]5cei.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * . . * .
[1]5fgk.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * . - * .
[1]5hbe.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * . . * .
[1]5hbh.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * . . * .
[1]5hbj.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . - - * .
[1]5hnb.a . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * . . * .
[1]5hvy.a . . - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . * * . . . . * .
[1]5i5z.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * . . * .
[1]5icp.a . . * . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * . . * .
[1]5idp.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * . . * .
[2]5idn.a . . * . . . . * . * * . . . . . . . . . . . . . . . . . . . . . . . . * * . . . * .
[2]5xqx.a . . . . . * . * . . * . . . . . . . . . . . . . . . . . . . . . . . . * . . * . * .
[2]5xs2.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
3rgf.a:bax
4crl.a:c1i
4f6s.a:0sq
4f6u.a:0sr
4f6w.a:0ss
4f70.a:0st
4f7j.a:0su
4f7l.a:0so
4f7n.a:0sv
4f7s.a:0sw
4g6l.a is apo
5bnj.a:4tv
5cei.a:50r
5fgk.a:5xg
5hbe.a:5y6
5hbh.a:5y7
5hbj.a:5y8
5hnb.a:62m
5hvy.a:66x
5i5z.a:68u
5icp.a:69z
5idp.a:6a6
5idn.a:6a7
5xqx.a:8cc
5xs2.a:8d6
[1] 3rgf.a
0
0.6 2.2 2.4 4.1 4.1 2.5 2.3 2.3 0.5 - 2.9 1.5 2.6 2.9 3.5 3.3 2.5 0.9 1.0 2.8 3.4 3.0 2.1 2.1
[1] 4crl.a 7.2
0
6.4 6.3 6.7 6.7 7.3 6.8 6.3 0.3 - 1.9 0.3 2.7 0.8 2.3 1.5 0.3 5.2 0.4 0.2 0.2 0.3 0.3 0.1
[1] 4f6s.a 2.9 0.8
0
0.1 2.3 2.5 0.2 0.1 0 0.3 - 3.4 1.4 4.0 4.0 6.6 4.4 3.6 1.5 1.1 3.5 3.8 4.2 3.7 2.7
[1] 4f6u.a 2.3 0.8 0
0
2.2 2.3 0 0.2 0 0.2 - 3.1 1.7 3.5 3.4 6.1 4.3 3.4 1.7 0.7 3.9 3.8 3.6 3.1 1.9
[1] 4f6w.a 2.8 0 0 0.1
0
0 0 0.2 0 0.1 - 0.5 0 0.6 0.5 2.4 1.3 0.6 1.5 0.2 0.5 0.5 0.4 1.1 0.3
[1] 4f70.a 2.6 0.1 0 0.1 0.4
0
0 0.2 0 0.1 - 1.2 0.1 1.4 0.9 2.1 1.8 0.6 0.6 0.2 0.6 0.5 0.6 1.4 0.4
[1] 4f7j.a 2.7 1.1 0 0.2 2.3 2.4
0
0.1 0.1 0.7 - 3.8 1.4 3.2 3.8 5.6 4.1 3.5 1.5 0.9 3.6 3.4 4.5 3.5 2.4
[1] 4f7l.a 2.2 0.4 0 0 1.1 1.6 0.1
0
0 0.4 - 2.6 0.8 2.7 2.8 3.9 3.4 2.5 1.6 0.5 2.4 2.6 2.8 2.9 1.8
[1] 4f7n.a 2.7 0.8 0 0.1 2.0 2.3 0 0.2
0
0.4 - 3.2 1.5 2.9 3.2 6.3 4.2 3.4 1.3 0.6 3.7 3.9 3.8 3.3 2.3
[1] 4f7s.a 6.5 0 4.5 4.2 6.0 5.9 4.8 4.8 4.4
0
- 1.7 0.4 1.9 1.3 1.2 1.5 1.1 6.5 0.2 1.3 1.2 1.3 1.1 0.8
[1] 4g6l.a 6.8 0.1 4.0 4.4 5.4 5.5 4.5 4.5 3.6 0.1
-
1.9 0.9 2.0 1.3 1.5 2.0 1.5 6.4 0.2 1.1 1.7 1.7 1.4 1.0
[1] 5bnj.a 7.6 0 6.3 6.3 6.2 6.4 6.3 6.6 6.2 0.1 -
0
0.1 0 0 0.5 0.1 0.2 5.6 0.1 0.1 0 0.1 0.2 0.2
[1] 5cei.a 7.1 0 4.6 4.6 4.8 5.1 5.0 4.7 5.0 0.3 - 1.5
0
1.8 0.6 1.8 1.0 0.2 7.2 0.4 0.3 0.2 0.6 0.2 0.2
[1] 5fgk.a 7.3 0 5.9 5.9 6.0 6.6 5.8 6.3 5.9 0.2 - 0.1 0
0.1
0 0.2 0.2 0.2 5.1 0 0.1 0 0.1 0.2 0.1
[1] 5hbe.a 6.6 0 4.7 4.8 4.6 5.1 5.0 5.1 4.7 0.1 - 0.4 0 0.5
0
0.6 0.2 0.2 5.9 0.1 0.2 0.1 0.1 0.2 0.2
[1] 5hbh.a 7.6 0.7 8.5 7.8 8.2 8.8 8.8 8.7 8.4 0.1 - 0.4 0.1 0.5 0.3
0
0.6 0.3 8.7 0 0.1 0.2 0.1 0.6 0.3
[1] 5hbj.a 6.8 0.1 5.8 5.9 5.9 6.1 6.0 6.2 6.4 0.4 - 0.1 0.3 0.6 0 0.6
0
0.6 3.9 0.1 0.1 0 0.2 0.1 0.2
[1] 5hnb.a 6.0 0 4.6 4.6 5.0 4.9 5.1 4.5 4.6 0 - 1.0 0 1.5 0.7 1.9 1.1
0
5.9 0.3 0.1 0.1 0.1 0.3 0
[1] 5hvy.a 2.8 1.7 2.3 2.3 4.6 5.1 2.5 2.9 2.5 0.6 - 3.8 1.4 3.5 3.8 4.5 4.4 4.0
0
1.1 3.8 4.3 4.2 4.2 2.8
[1] 5i5z.a 6.9 0 4.3 4.9 4.9 4.9 5.0 4.8 4.5 0.1 - 1.1 0 1.3 0.6 1.1 1.3 0.2 6.2
0
0.1 0.2 0.3 0.2 0
[1] 5icp.a 7.9 0.1 6.1 6.4 7.1 6.7 7.3 6.7 6.7 0.1 - 1.2 0 1.3 0.4 1.5 0.5 0.1 6.0 0.2
0
0.1 0 0.2 0.1
[1] 5idp.a 6.7 0 4.5 4.4 4.7 4.5 4.8 4.5 4.4 0 - 0.6 0 1.3 0.2 0.7 0.3 0.2 6.9 0.1 0.1
0
0.1 0 0.1
[2] 5idn.a 8.7 0.1 8.8 8.3 8.9 8.7 9.0 9.1 8.7 0.2 - 0.9 0.2 1.4 0.3 1.4 0.5 0.3 7.0 0.3 0 0
0
0.1 0
[2] 5xqx.a 8.2 0.2 7.9 7.2 8.6 8.4 9.0 8.3 8.6 0 - 1.5 0 2.0 0.5 1.2 0.7 0.3 7.2 0.2 0.3 0 0
0
0.1
[2] 5xs2.a 8.1 0.6 7.6 7.1 8.2 7.5 8.2 8.2 7.5 0.5 - 1.8 0.1 2.2 1.0 2.6 1.3 0.5 7.2 0.5 0.2 0.5 0.5 0.2
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
3rgf.a
4crl.a
4f6s.a
4f6u.a
4f6w.a
4f70.a
4f7j.a
4f7l.a
4f7n.a
4f7s.a
4g6l.a
5bnj.a
5cei.a
5fgk.a
5hbe.a
5hbh.a
5hbj.a
5hnb.a
5hvy.a
5i5z.a
5icp.a
5idp.a
5idn.a
5xqx.a
5xs2.a
[1] 3rgf.a
0
.21 .24 .23 .20 .23 .21 .18 .23 .20 .19 .14 .20 .13 .14 .23 .20 .18 .23 .18 .19 .16 .35 .34 .33
[1] 4crl.a .21
0
.23 .23 .25 .22 .21 .25 .24 .12 .14 .13 .05 .14 .11 .22 .22 .07 .26 .09 .08 .11 .30 .29 .25
[1] 4f6s.a .24 .23
0
.05 .13 .13 .04 .10 .02 .25 .25 .21 .21 .21 .19 .29 .14 .19 .21 .22 .22 .20 .22 .28 .25
[1] 4f6u.a .23 .23 .05
0
.12 .15 .06 .09 .05 .23 .24 .21 .21 .23 .20 .32 .17 .18 .22 .22 .22 .21 .24 .29 .26
[1] 4f6w.a .20 .25 .13 .12
0
.07 .10 .08 .12 .22 .21 .15 .22 .15 .16 .28 .16 .22 .20 .20 .22 .18 .26 .29 .30
[1] 4f70.a .23 .22 .13 .15 .07
0
.12 .12 .14 .22 .21 .17 .20 .18 .15 .31 .15 .20 .22 .18 .20 .16 .29 .30 .31
[1] 4f7j.a .21 .21 .04 .06 .10 .12
0
.07 .03 .24 .25 .18 .19 .19 .17 .28 .13 .18 .19 .20 .20 .19 .21 .26 .23
[1] 4f7l.a .18 .25 .10 .09 .08 .12 .07
0
.09 .21 .21 .17 .22 .17 .17 .25 .13 .20 .17 .20 .21 .20 .23 .27 .27
[1] 4f7n.a .23 .24 .02 .05 .12 .14 .03 .09
0
.25 .26 .20 .22 .21 .18 .28 .15 .19 .19 .21 .21 .21 .21 .26 .24
[1] 4f7s.a .20 .12 .25 .23 .22 .22 .24 .21 .25
0
.05 .11 .07 .09 .10 .18 .21 .07 .22 .08 .13 .08 .36 .33 .33
[1] 4g6l.a .19 .14 .25 .24 .21 .21 .25 .21 .26 .05
0
.10 .09 .08 .10 .17 .23 .08 .22 .09 .14 .07 .38 .36 .36
[1] 5bnj.a .14 .13 .21 .21 .15 .17 .18 .17 .20 .11 .10
0
.10 .03 .03 .17 .17 .09 .20 .07 .09 .05 .33 .32 .33
[1] 5cei.a .20 .05 .21 .21 .22 .20 .19 .22 .22 .07 .09 .10
0
.09 .09 .19 .21 .06 .25 .08 .09 .06 .32 .32 .29
[1] 5fgk.a .13 .14 .21 .23 .15 .18 .19 .17 .21 .09 .08 .03 .09
0
.05 .15 .18 .10 .20 .07 .10 .04 .35 .33 .34
[1] 5hbe.a .14 .11 .19 .20 .16 .15 .17 .17 .18 .10 .10 .03 .09 .05
0
.17 .16 .08 .21 .05 .07 .04 .32 .31 .32
[1] 5hbh.a .23 .22 .29 .32 .28 .31 .28 .25 .28 .18 .17 .17 .19 .15 .17
0
.21 .19 .22 .17 .20 .16 .30 .31 .32
[1] 5hbj.a .20 .22 .14 .17 .16 .15 .13 .13 .15 .21 .23 .17 .21 .18 .16 .21
0
.20 .15 .18 .19 .18 .20 .21 .23
[1] 5hnb.a .18 .07 .19 .18 .22 .20 .18 .20 .19 .07 .08 .09 .06 .10 .08 .19 .20
0
.22 .06 .09 .07 .32 .32 .29
[1] 5hvy.a .23 .26 .21 .22 .20 .22 .19 .17 .19 .22 .22 .20 .25 .20 .21 .22 .15 .22
0
.20 .25 .22 .23 .20 .25
[1] 5i5z.a .18 .09 .22 .22 .20 .18 .20 .20 .21 .08 .09 .07 .08 .07 .05 .17 .18 .06 .20
0
.07 .05 .30 .30 .30
[1] 5icp.a .19 .08 .22 .22 .22 .20 .20 .21 .21 .13 .14 .09 .09 .10 .07 .20 .19 .09 .25 .07
0
.08 .26 .28 .26
[1] 5idp.a .16 .11 .20 .21 .18 .16 .19 .20 .21 .08 .07 .05 .06 .04 .04 .16 .18 .07 .22 .05 .08
0
.33 .31 .33
[2] 5idn.a .35 .30 .22 .24 .26 .29 .21 .23 .21 .36 .38 .33 .32 .35 .32 .30 .20 .32 .23 .30 .26 .33
0
.17 .21
[2] 5xqx.a .34 .29 .28 .29 .29 .30 .26 .27 .26 .33 .36 .32 .32 .33 .31 .31 .21 .32 .20 .30 .28 .31 .17
0
.11
[2] 5xs2.a .33 .25 .25 .26 .30 .31 .23 .27 .24 .33 .36 .33 .29 .34 .32 .32 .23 .29 .25 .30 .26 .33 .21 .11
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 2.0 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
3rgf.a
4crl.a
4f6s.a
4f6u.a
4f6w.a
4f70.a
4f7j.a
4f7l.a
4f7n.a
4f7s.a
4g6l.a
5bnj.a
5cei.a
5fgk.a
5hbe.a
5hbh.a
5hbj.a
5hnb.a
5hvy.a
5i5z.a
5icp.a
5idp.a
5idn.a
5xqx.a
5xs2.a
[1] 3rgf.a
0
2.2 2.6 1.7 1.5 0.6 1.8 0.8 1.8 2.4 2.4 2.5 2.4 2.1 2.4 2.6 1.8 2.5 1.8 2.3 2.4 2.5 2.4 3.0 3.1
[1] 4crl.a 2.2
0
3.6 2.6 1.9 1.2 2.6 1.8 2.7 0.8 0.9 0.8 0.7 0.9 0.7 1.3 0.9 0.8 3.1 0.6 0.7 0.8 1.0 1.8 1.8
[1] 4f6s.a 2.6 3.6
0
0.5 2.6 0.4 0.3 0.5 0.3 4.0 4.0 4.1 4.0 4.0 4.0 4.1 2.9 4.0 1.6 3.9 3.9 4.1 3.8 4.0 4.0
[1] 4f6u.a 1.7 2.6 0.5
0
1.6 0.6 0.5 0.7 0.6 3.0 2.9 3.1 3.0 3.1 3.0 3.3 2.9 3.0 1.1 2.8 2.9 3.0 2.8 2.8 2.8
[1] 4f6w.a 1.5 1.9 2.6 1.6
0
0.4 1.6 0.8 1.6 2.2 2.2 2.2 2.2 2.2 2.1 2.3 1.8 2.2 1.7 2.0 2.1 2.2 1.9 2.1 2.1
[1] 4f70.a 0.6 1.2 0.4 0.6 0.4
0
0.4 0.4 0.4 1.1 1.1 1.1 1.1 1.2 1.1 1.6 1.3 1.1 0.8 1.1 1.3 1.1 1.5 1.5 1.4
[1] 4f7j.a 1.8 2.6 0.3 0.5 1.6 0.4
0
0.4 0.3 3.0 3.0 3.1 3.0 3.1 3.0 3.3 3.0 3.1 1.1 2.8 3.0 3.1 2.8 2.8 2.8
[1] 4f7l.a 0.8 1.8 0.5 0.7 0.8 0.4 0.4
0
0.5 1.9 1.9 1.9 1.9 2.0 1.9 2.5 1.9 1.9 0.9 1.8 1.9 1.9 2.0 1.9 1.9
[1] 4f7n.a 1.8 2.7 0.3 0.6 1.6 0.4 0.3 0.5
0
3.1 3.1 3.1 3.0 3.1 3.0 3.4 3.0 3.1 1.1 2.8 3.0 3.1 2.8 2.9 2.9
[1] 4f7s.a 2.4 0.8 4.0 3.0 2.2 1.1 3.0 1.9 3.1
0
0.4 0.6 0.3 0.7 0.5 1.4 0.9 0.3 3.5 0.5 0.7 0.4 1.3 1.8 1.8
[1] 4g6l.a 2.4 0.9 4.0 2.9 2.2 1.1 3.0 1.9 3.1 0.4
0
0.6 0.4 0.8 0.6 1.4 1.0 0.5 3.4 0.6 0.7 0.5 1.3 1.9 1.8
[1] 5bnj.a 2.5 0.8 4.1 3.1 2.2 1.1 3.1 1.9 3.1 0.6 0.6
0
0.5 0.3 0.3 1.3 0.9 0.4 3.5 0.5 0.6 0.3 1.3 1.9 1.9
[1] 5cei.a 2.4 0.7 4.0 3.0 2.2 1.1 3.0 1.9 3.0 0.3 0.4 0.5
0
0.7 0.4 1.3 0.9 0.3 3.4 0.4 0.5 0.3 1.2 1.8 1.7
[1] 5fgk.a 2.1 0.9 4.0 3.1 2.2 1.2 3.1 2.0 3.1 0.7 0.8 0.3 0.7
0
0.4 1.1 0.9 0.6 3.2 0.6 0.8 0.5 1.3 1.6 1.6
[1] 5hbe.a 2.4 0.7 4.0 3.0 2.1 1.1 3.0 1.9 3.0 0.5 0.6 0.3 0.4 0.4
0
1.3 0.8 0.4 3.4 0.4 0.5 0.3 1.2 1.8 1.8
[1] 5hbh.a 2.6 1.3 4.1 3.3 2.3 1.6 3.3 2.5 3.4 1.4 1.4 1.3 1.3 1.1 1.3
0
1.0 1.4 3.4 1.3 1.3 1.3 1.4 2.1 2.1
[1] 5hbj.a 1.8 0.9 2.9 2.9 1.8 1.3 3.0 1.9 3.0 0.9 1.0 0.9 0.9 0.9 0.8 1.0
0
0.9 2.6 0.8 0.8 0.8 0.8 0.9 0.8
[1] 5hnb.a 2.5 0.8 4.0 3.0 2.2 1.1 3.1 1.9 3.1 0.3 0.5 0.4 0.3 0.6 0.4 1.4 0.9
0
3.5 0.5 0.6 0.2 1.2 1.8 1.8
[1] 5hvy.a 1.8 3.1 1.6 1.1 1.7 0.8 1.1 0.9 1.1 3.5 3.4 3.5 3.4 3.2 3.4 3.4 2.6 3.5
0
3.3 3.4 3.5 3.2 3.8 3.8
[1] 5i5z.a 2.3 0.6 3.9 2.8 2.0 1.1 2.8 1.8 2.8 0.5 0.6 0.5 0.4 0.6 0.4 1.3 0.8 0.5 3.3
0
0.6 0.4 1.1 1.8 1.8
[1] 5icp.a 2.4 0.7 3.9 2.9 2.1 1.3 3.0 1.9 3.0 0.7 0.7 0.6 0.5 0.8 0.5 1.3 0.8 0.6 3.4 0.6
0
0.6 1.0 1.7 1.7
[1] 5idp.a 2.5 0.8 4.1 3.0 2.2 1.1 3.1 1.9 3.1 0.4 0.5 0.3 0.3 0.5 0.3 1.3 0.8 0.2 3.5 0.4 0.6
0
1.2 1.8 1.8
[2] 5idn.a 2.4 1.0 3.8 2.8 1.9 1.5 2.8 2.0 2.8 1.3 1.3 1.3 1.2 1.3 1.2 1.4 0.8 1.2 3.2 1.1 1.0 1.2
0
1.4 1.4
[2] 5xqx.a 3.0 1.8 4.0 2.8 2.1 1.5 2.8 1.9 2.9 1.8 1.9 1.9 1.8 1.6 1.8 2.1 0.9 1.8 3.8 1.8 1.7 1.8 1.4
0
0.3
[2] 5xs2.a 3.1 1.8 4.0 2.8 2.1 1.4 2.8 1.9 2.9 1.8 1.8 1.9 1.7 1.6 1.8 2.1 0.8 1.8 3.8 1.8 1.7 1.8 1.4 0.3
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.7 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
3rgf.a
4crl.a
4f6s.a
4f6u.a
4f6w.a
4f70.a
4f7j.a
4f7l.a
4f7n.a
4f7s.a
4g6l.a
5bnj.a
5cei.a
5fgk.a
5hbe.a
5hbh.a
5hbj.a
5hnb.a
5hvy.a
5i5z.a
5icp.a
5idp.a
5idn.a
5xqx.a
5xs2.a
[1] 3rgf.a
0
2.2 2.9 2.4 1.7 1.3 2.5 1.3 2.5 2.4 2.3 2.4 2.3 2.2 2.3 2.5 1.9 2.3 2.5 2.3 2.3 2.4 2.7 3.0 3.1
[1] 4crl.a 2.2
0
3.8 3.2 2.1 1.8 3.3 1.9 3.2 0.9 1.0 0.9 0.8 1.0 0.7 1.3 0.9 0.8 3.4 0.8 0.6 0.9 1.8 2.3 2.2
[1] 4f6s.a 2.9 3.8
0
0.9 2.5 1.4 0.8 0.8 0.7 4.0 4.0 4.0 4.0 4.1 4.0 3.9 2.7 4.1 1.9 4.0 4.0 4.1 3.5 3.7 3.7
[1] 4f6u.a 2.4 3.2 0.9
0
1.9 1.5 0.8 0.9 0.8 3.4 3.3 3.5 3.5 3.5 3.5 3.5 2.8 3.5 1.7 3.4 3.5 3.5 3.0 3.0 3.0
[1] 4f6w.a 1.7 2.1 2.5 1.9
0
0.8 1.9 1.1 1.8 2.4 2.3 2.2 2.2 2.2 2.2 2.4 1.9 2.3 1.9 2.2 2.2 2.3 2.1 2.3 2.3
[1] 4f70.a 1.3 1.8 1.4 1.5 0.8
0
1.5 0.9 1.4 1.9 1.9 1.8 1.8 1.7 1.8 2.1 1.8 1.8 1.4 1.8 1.9 1.8 1.9 2.0 2.0
[1] 4f7j.a 2.5 3.3 0.8 0.8 1.9 1.5
0
0.7 0.7 3.5 3.4 3.5 3.5 3.5 3.5 3.5 2.8 3.6 1.7 3.5 3.5 3.6 3.0 3.0 3.0
[1] 4f7l.a 1.3 1.9 0.8 0.9 1.1 0.9 0.7
0
0.8 2.0 2.0 2.0 2.0 2.0 2.0 2.4 1.9 2.0 1.4 2.0 2.0 2.0 2.1 2.1 2.1
[1] 4f7n.a 2.5 3.2 0.7 0.8 1.8 1.4 0.7 0.8
0
3.5 3.4 3.5 3.5 3.5 3.5 3.5 2.8 3.5 1.7 3.4 3.5 3.5 3.0 3.0 2.9
[1] 4f7s.a 2.4 0.9 4.0 3.4 2.4 1.9 3.5 2.0 3.5
0
0.6 0.8 0.6 1.0 0.8 1.5 1.0 0.6 3.6 0.8 0.8 0.6 2.1 2.5 2.5
[1] 4g6l.a 2.3 1.0 4.0 3.3 2.3 1.9 3.4 2.0 3.4 0.6
0
0.9 0.7 1.0 0.8 1.5 1.1 0.7 3.6 0.8 0.9 0.8 2.1 2.6 2.5
[1] 5bnj.a 2.4 0.9 4.0 3.5 2.2 1.8 3.5 2.0 3.5 0.8 0.9
0
0.8 0.6 0.6 1.4 0.9 0.7 3.6 0.8 0.8 0.7 1.9 2.4 2.3
[1] 5cei.a 2.3 0.8 4.0 3.5 2.2 1.8 3.5 2.0 3.5 0.6 0.7 0.8
0
0.9 0.6 1.4 0.9 0.6 3.6 0.6 0.7 0.6 2.0 2.5 2.4
[1] 5fgk.a 2.2 1.0 4.1 3.5 2.2 1.7 3.5 2.0 3.5 1.0 1.0 0.6 0.9
0
0.7 1.3 0.9 0.8 3.4 1.0 0.9 0.8 1.9 2.1 2.1
[1] 5hbe.a 2.3 0.7 4.0 3.5 2.2 1.8 3.5 2.0 3.5 0.8 0.8 0.6 0.6 0.7
0
1.3 0.8 0.6 3.5 0.6 0.6 0.6 1.9 2.4 2.4
[1] 5hbh.a 2.5 1.3 3.9 3.5 2.4 2.1 3.5 2.4 3.5 1.5 1.5 1.4 1.4 1.3 1.3
0
1.1 1.4 3.4 1.4 1.4 1.4 1.9 2.3 2.3
[1] 5hbj.a 1.9 0.9 2.7 2.8 1.9 1.8 2.8 1.9 2.8 1.0 1.1 0.9 0.9 0.9 0.8 1.1
0
0.8 2.4 0.9 0.8 0.9 0.9 1.0 1.1
[1] 5hnb.a 2.3 0.8 4.1 3.5 2.3 1.8 3.6 2.0 3.5 0.6 0.7 0.7 0.6 0.8 0.6 1.4 0.8
0
3.6 0.7 0.7 0.5 2.0 2.4 2.4
[1] 5hvy.a 2.5 3.4 1.9 1.7 1.9 1.4 1.7 1.4 1.7 3.6 3.6 3.6 3.6 3.4 3.5 3.4 2.4 3.6
0
3.5 3.5 3.6 3.3 3.7 3.7
[1] 5i5z.a 2.3 0.8 4.0 3.4 2.2 1.8 3.5 2.0 3.4 0.8 0.8 0.8 0.6 1.0 0.6 1.4 0.9 0.7 3.5
0
0.8 0.6 1.9 2.5 2.4
[1] 5icp.a 2.3 0.6 4.0 3.5 2.2 1.9 3.5 2.0 3.5 0.8 0.9 0.8 0.7 0.9 0.6 1.4 0.8 0.7 3.5 0.8
0
0.7 1.8 2.3 2.2
[1] 5idp.a 2.4 0.9 4.1 3.5 2.3 1.8 3.6 2.0 3.5 0.6 0.8 0.7 0.6 0.8 0.6 1.4 0.9 0.5 3.6 0.6 0.7
0
1.9 2.5 2.4
[2] 5idn.a 2.7 1.8 3.5 3.0 2.1 1.9 3.0 2.1 3.0 2.1 2.1 1.9 2.0 1.9 1.9 1.9 0.9 2.0 3.3 1.9 1.8 1.9
0
1.6 1.6
[2] 5xqx.a 3.0 2.3 3.7 3.0 2.3 2.0 3.0 2.1 3.0 2.5 2.6 2.4 2.5 2.1 2.4 2.3 1.0 2.4 3.7 2.5 2.3 2.5 1.6
0
0.7
[2] 5xs2.a 3.1 2.2 3.7 3.0 2.3 2.0 3.0 2.1 2.9 2.5 2.5 2.3 2.4 2.1 2.4 2.3 1.1 2.4 3.7 2.4 2.2 2.4 1.6 0.7
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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