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BRD9_HUMAN_133_241

Bromodomain-containing protein 9

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (BRD9_HUMAN):D: Bromo (153, 154, 157:171, 173, 176, 212, 214:217, 220:222)
R: Histone H4K5ac H4K8ac and histone H4K5bu H4K8bu (214:216)
225
153, 154, 157:171, 173, 176, 212, 214:217, 220:222, 225

Full PDB list

3hme, 4nqn, 4uit, 4uiu, 4uiv, 4uiw, 4xy8, 4yy4, 4yy6, 4yyd, 4yyg, 4yyh, 4yyi, 4yyj, 4yyk, 4z6h, 4z6i, 5e9v, 5eu1, 5f1h, 5f1l, 5f25, 5f2p, 5i40, 5i7x, 5i7y, 5igm, 5ign, 5ji8, 5twx (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
H
1
5
8
G
1
5
9
F
1
6
0
F
1
6
1
F
1
6
3
P
1
6
4
V
1
6
5
T
1
6
6
A
1
6
8
I
1
6
9
A
1
7
0
P
1
7
1
I
1
7
6
A
2
1
2
T
2
1
4
Y
2
1
5
N
2
1
6
R
2
1
7
T
2
2
0
V
2
2
1
Y
2
2
2
[1]3hme.a none . . . . . . . . . . . . . . . . . . . . .
[1]4nqn.a y1z37 . . . . . . . . . . . . . . . . . . . . .
[1]4uit.a n1d33 . . . . . . . . . . . . . . . . . . . . .
[1]4uiu.a tvu32 . . . . . . . . . . . . . . . . . . . . .
[1]4uiv.a xzb32 . . . . . . . . . . . . . . . . . . . . .
[1]4uiw.a h1b33 . . . . . . . . . . . . . . . . . . . . .
[1]4xy8.a 43u19 . . . . . . . . . . . . . . . . . . . . .
[1]4yy6.a GRGbtkGGbtkGLG71 . . . . . . . . . . . . . . . . . . . . .
[1]4yyd.a GRGkcrGGkcrGLG71 . . . . . . . . . . . . . . . . . . . . .
[1]4yyg.a GGbtk22 . . . . . . . . . . . . . . . . . . . . .
[1]4yyh.a GGkcrG26 . . . . . . . . . . . . . . . . . . . . .
[1]4yyi.b GalyGGalyG40 . . . . . . . . . . . . . . . . . . . . .
[1]4yyj.a GbtkGGbtkG44 . . . . . . . . . . . . . . . . . . . . .
[1]4yyk.a GkcrGGkcrG44 . . . . . . . . . . . . . . . . . . . . .
[1]4z6h.b 4l220 . . . . . . . . . . . . . . . . . . . . .
[1]4z6i.b 4l334 . . . . . . . . . . . . . . . . . . . . .
[1]5e9v.b 5l027 . . . . . . . . . . . . . . . . . . . . .
[1]5eu1.a 5sw26 . . . . . . . . . . . . . . . . . . . . .
[1]5f1h.a 5u626 . . . . . . . . . . . . . . . . . . . . .
[1]5f1l.a 5u225 . . . . . . . . . . . . . . . . . . . . .
[1]5f25.a 5tu18 . . . . . . . . . . . . . . . . . . . . .
[1]5f2p.a 5ty15 . . . . . . . . . . . . . . . . . . . . .
[1]5i40.a 67n11 . . . . . . . . . . . . . . . . . . . . .
[1]5i7x.a 67b22 . . . . . . . . . . . . . . . . . . . . .
[1]5i7y.a 69g25 . . . . . . . . . . . . . . . . . . . . .
[1]5igm.a bmf28 . . . . . . . . . . . . . . . . . . . . .
[1]5ign.a 6b235 . . . . . . . . . . . . . . . . . . . . .
[1]5ji8.a 6kt13 . . . . . . . . . . . . . . . . . . . . .
[1]5twx.b 7p7,7p7122 . . . . . . . . . . . . . . . . . . . . .

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
Q
1
5
3
R
1
5
4
P
1
5
7
H
1
5
8
G
1
5
9
F
1
6
0
F
1
6
1
A
1
6
2
F
1
6
3
P
1
6
4
V
1
6
5
T
1
6
6
D
1
6
7
A
1
6
8
I
1
6
9
A
1
7
0
P
1
7
1
Y
1
7
3
I
1
7
6
A
2
1
2
T
2
1
4
Y
2
1
5
N
2
1
6
R
2
1
7
T
2
2
0
V
2
2
1
Y
2
2
2
L
2
2
5
[1]3hme.a . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4nqn.a . . . . . . . . . . . . . . * . . . . . . . . . . . . .
[1]4uit.a . . . . . . . . . . . . . . * . . . . . . . . . . . . .
[1]4uiu.a . . . . . . . . . . . . . . * . . . . . . . . . . . . .
[1]4uiv.a . . . . . . . . . . . . . . * . . . . . . . . . . . . .
[1]4uiw.a . . . . . . . . . . . . . . * . . . . . . . . . . . . .
[1]4xy8.a . . . . . . * . * . . . . . * . . . . . . . . . . . . .
[1]4yy6.a . . . . . . . . * . . . . . . . . . . . . . . . . . . .
[1]4yyd.a . . . . . . . . * . . . . . * . . . . . . . . . . . . .
[1]4yyg.a . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4yyh.a . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4yyi.b . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4yyj.a . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4yyk.a . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4z6h.b . . . . . . * . . . . . . . . . . . . . . . . . . . * .
[1]4z6i.b . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]5e9v.b . . . . . . * . . . . . . . * . . . . . . . . * . . . .
[1]5eu1.a . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5f1h.a . . . . . . . . * . . . . . . . . . . . . . . . . . . .
[1]5f1l.a . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5f25.a . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5f2p.a . . . . . . . . * . . . . . . . . . . . . . . . . . . .
[1]5i40.a . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5i7x.a . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5i7y.a . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5igm.a . . . . . . . . . . . . . . * . . . . . . . . . . . . .
[1]5ign.a . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]5ji8.a . . . . . . * . . . . . . . * . . . . . . . . . . . . .
[1]5twx.b . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
3hme.a is apo
4nqn.a:y1z
4uit.a:n1d
4uiu.a:tvu
4uiv.a:xzb
4uiw.a:h1b
4xy8.a:43u
4yy6.a:GRGbtkGGbtkGLG
4yyd.a:GRGkcrGGkcrGLG
4yyg.a:GGbtk
4yyh.a:GGkcrG
4yyi.b:GalyGGalyG
4yyj.a:GbtkGGbtkG
4yyk.a:GkcrGGkcrG
4z6h.b:4l2
4z6i.b:4l3
5e9v.b:5l0
5eu1.a:5sw
5f1h.a:5u6
5f1l.a:5u2
5f25.a:5tu
5f2p.a:5ty
5i40.a:67n
5i7x.a:67b
5i7y.a:69g
5igm.a:bmf
5ign.a:6b2
5ji8.a:6kt
5twx.b:7p7
[1] 3hme.a
-
0.8 0.3 0.5 0.3 0.9 0.5 0.4 1.2 0.3 0.8 0 0.4 0.8 0.1 0.5 0.1 0.1 0.1 0.2 0 0.1 0.1 0.3 1.2 0.8 0.5 1.1 0.8
[1] 4nqn.a -
0
0.2 0.1 0.1 0.2 0 0.3 1.0 0.1 0.4 0 0.2 0.8 0.6 1.0 0.5 0 0 0 0.1 0.1 0 0 0.3 0 1.2 0.3 0.3
[1] 4uit.a - 0
0.1
0 0 0.2 0 0.5 0.8 0.2 0.6 0 0.3 0.8 0.1 0.9 0.5 0 0 0 0 0.1 0 0 0.6 0.2 1.4 0.4 0.3
[1] 4uiu.a - 0.4 0.2
0
0 0.2 0 0.7 1.0 0.1 0.3 0.2 0.2 0.6 0.3 1.3 0.1 0 0 0 0 0 0 0 0.4 0.3 1.5 0.6 0.4
[1] 4uiv.a - 0.6 0.3 0.1
0
0.2 0 0.7 0.9 0 0.3 0 0.2 0.7 0.2 0.2 0.5 0 0 0 0.1 0.2 0 0 0.5 0 0.9 0.4 0.1
[1] 4uiw.a - 0.6 0.2 0.1 0
0
0 0.5 0.5 0.1 0 0 0.1 0.4 0.1 0.2 0.4 0 0 0 0.1 0.2 0 0 0.3 0 0.9 0.4 0
[1] 4xy8.a - 0.2 0.6 0.8 0.2 0.4
0
0.3 1.1 0.1 0.8 0 0.3 1.1 1.4 2.9 1.3 1.1 0 0.7 0 0.1 0 0.4 0.8 1.9 3.0 0.2 0.1
[1] 4yy6.a - 0.2 0.2 1.3 0.1 0.2 0.2
0
0.2 0 0 0 0 0.3 1.9 2.8 1.0 1.4 0.3 1.1 0.1 0 0 0.1 0 2.5 2.5 0 0.3
[1] 4yyd.a - 0.3 0.5 1.3 0.4 0.4 0.2 0
0
0 0 0 0 0 2.0 2.9 1.2 1.8 0.5 1.4 0 0 0.2 0.2 0.2 2.3 2.8 0 0.6
[1] 4yyg.a - 0.1 0.2 0.4 0.2 0.2 0.1 0.1 0.2
0
0 0 0 0.2 0.2 0.4 0.1 0.1 0.2 0.1 0 0 0.1 0.2 0.1 0.1 0.7 0 0.4
[1] 4yyh.a - 0.1 0.3 0.3 0.1 0.1 0.1 0 0 0
0
0 0 0.1 0.3 0.2 0.2 0.1 0.1 0.1 0 0 0.1 0.1 0 0.1 0.3 0 0.3
[1] 4yyi.b - 0.2 0.3 0.4 0.3 0.4 0.1 0.2 0.6 0.2 0.2
0
0.1 0.7 0.4 0.5 0.2 0.2 0.2 0.2 0.1 0 0.2 0.2 0.8 0.3 0.4 0.3 0.5
[1] 4yyj.a - 0.2 0.4 0.4 0.3 0.2 0.1 0.1 0.2 0 0.1 0
0
0.3 0.2 0.5 0.2 0.2 0.2 0.1 0 0 0.2 0.2 0.3 0.2 0.6 0.3 0.6
[1] 4yyk.a - 0.7 0.6 0.9 0.8 0.8 0.5 0.1 0.2 0.1 0 0.1 0
0.2
0.1 0.9 0.1 0.5 0.5 0.5 0.3 0.1 0.3 0.6 0.7 0.9 0.9 0.8 0.8
[1] 4z6h.b - 0.7 0.5 0.3 0.4 0.8 0.4 0.7 1.3 0.7 0.9 0.3 0.7 1.4
0
0.6 0.1 0.3 0.3 0.2 0.2 0.1 0.1 0.5 1.3 1.1 0.8 1.3 0.6
[1] 4z6i.b - 0.7 0.5 0.7 0.6 0.9 0.3 0.7 1.3 0.5 1.2 0 0.6 1.4 0.1
0
0.2 0.3 0.3 0.3 0.2 0.1 0.2 0.3 1.1 0.6 0.1 0.4 0.8
[1] 5e9v.b - 0.7 1.3 0.7 1.8 2.1 0.4 0.8 1.6 0.5 1.0 0.1 0.6 1.3 0.1 1.5
0
0.1 0 0.3 0 0 0 0.8 1.2 0.5 2.0 1.1 1.6
[1] 5eu1.a - 0.2 0.2 0.2 0 0.3 0.1 0.6 1.2 0.1 0.5 0.1 0.3 0.8 0.3 0.3 0.4
0
0 0 0 0.1 0 0.1 0.8 0.2 0.8 0.4 0.6
[1] 5f1h.a - 0.2 0.2 0.3 0.1 0.3 0 0.4 0.9 0.2 0.5 0.1 0.3 1.0 0.9 2.7 0.3 0.2
0
0.2 0 0.1 0 0.1 0.8 1.3 2.0 0.4 0.5
[1] 5f1l.a - 0.5 0.4 0.1 0.2 0.4 0.1 0.5 1.2 0.1 0.5 0.3 0.4 0.9 0.1 0.7 0.1 0 0
0
0 0 0 0.4 0.9 0.3 0.7 0.8 0.2
[1] 5f25.a - 0.4 0.2 0.2 0 0.2 0.1 0.3 1.2 0.2 0.3 0.1 0.3 0.9 0.1 0.4 0.2 0 0 0
0
0 0 0.1 0.5 0.4 0.4 0.7 0.4
[1] 5f2p.a - 1.2 0.7 3.0 0.5 0.5 1.0 0.3 0.8 0.3 0.3 0.1 0.2 0.9 3.7 2.9 2.3 2.8 1.6 2.9 0.5
0
0 0.6 1.1 3.8 2.9 0.6 1.2
[1] 5i40.a - 0.5 0.5 0.3 0.3 0.5 0.3 0.4 0.9 0.4 0.3 0.1 0.3 1.0 0.4 0.5 0.7 0.1 0.1 0.2 0.1 0.1
0
0.3 1.1 0.4 0.9 0.8 0.4
[1] 5i7x.a - 0.4 0.3 0.3 0.1 0.3 0 0.2 0.8 0.2 0.3 0 0.2 0.7 0.3 0.4 0.5 0.1 0.1 0 0.1 0.2 0
0
0.3 0 1.2 0.2 0.5
[1] 5i7y.a - 0.1 0.3 0.2 0.1 0.1 0 0.3 0.3 0.1 0 0 0 0.2 0.1 0.7 0.4 0.1 0.1 0 0 0.2 0 0
0
0 1.0 0.2 0.6
[1] 5igm.a - 0.1 0.3 0.3 0.1 0.1 0 0.5 0.5 0.1 0.3 0.1 0.2 0.7 0.5 1.0 0.6 0.1 0.1 0.1 0.1 0.3 0 0 0.2
0
1.1 0.1 0.3
[1] 5ign.a - 0.8 0.3 0.5 0.5 0.8 0.2 0.7 1.5 0.6 1.2 0.1 0.7 1.4 0.1 0 0.3 0.3 0.3 0.3 0.2 0.2 0.3 0.4 1.5 0.5
0
0.4 0.7
[1] 5ji8.a - 0.4 0.5 0.7 0.4 1.1 0.3 0.7 1.6 0.5 1.2 0 0.8 1.8 0.3 1.3 1.0 0.4 0.4 0.3 0.3 0.4 0.2 0.4 1.4 0.2 1.8
0
0.8
[1] 5twx.b - 0.4 0.4 0 0.2 0.3 0 0.7 1.1 0.1 0.5 0.1 0.3 0.9 0.2 0.4 0.5 0.1 0 0 0 0.1 0 0.2 0.8 0.2 1.0 0.9
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
3hme.a
4nqn.a
4uit.a
4uiu.a
4uiv.a
4uiw.a
4xy8.a
4yy6.a
4yyd.a
4yyg.a
4yyh.a
4yyi.b
4yyj.a
4yyk.a
4z6h.b
4z6i.b
5e9v.b
5eu1.a
5f1h.a
5f1l.a
5f25.a
5f2p.a
5i40.a
5i7x.a
5i7y.a
5igm.a
5ign.a
5ji8.a
5twx.b
[1] 3hme.a
0
.09 .07 .09 .09 .09 .16 .15 .17 .08 .07 .06 .07 .06 .05 .07 .12 .06 .14 .06 .04 .16 .06 .10 .09 .10 .06 .13 .05
[1] 4nqn.a .09
0
.05 .09 .06 .07 .10 .15 .15 .09 .08 .06 .07 .10 .09 .07 .16 .03 .11 .07 .05 .19 .06 .07 .08 .03 .07 .10 .07
[1] 4uit.a .07 .05
0
.05 .05 .05 .11 .14 .14 .07 .09 .04 .06 .08 .10 .07 .14 .05 .10 .09 .06 .15 .04 .05 .07 .06 .06 .06 .06
[1] 4uiu.a .09 .09 .05
0
.06 .07 .15 .16 .15 .09 .10 .09 .09 .09 .13 .11 .13 .09 .15 .12 .09 .19 .06 .07 .09 .09 .11 .10 .09
[1] 4uiv.a .09 .06 .05 .06
0
.02 .15 .15 .15 .09 .08 .07 .07 .08 .12 .08 .15 .06 .14 .11 .08 .19 .04 .03 .08 .06 .09 .09 .07
[1] 4uiw.a .09 .07 .05 .07 .02
0
.15 .14 .13 .07 .06 .08 .06 .07 .12 .09 .17 .07 .14 .11 .08 .20 .05 .04 .06 .06 .09 .09 .07
[1] 4xy8.a .16 .10 .11 .15 .15 .15
0
.10 .10 .14 .16 .12 .14 .17 .16 .14 .17 .12 .05 .12 .13 .13 .14 .13 .13 .12 .15 .14 .14
[1] 4yy6.a .15 .15 .14 .16 .15 .14 .10
0
.03 .08 .09 .10 .09 .12 .19 .16 .24 .15 .08 .17 .14 .09 .17 .13 .10 .14 .15 .17 .18
[1] 4yyd.a .17 .15 .14 .15 .15 .13 .10 .03
0
.10 .11 .13 .11 .13 .21 .16 .24 .16 .10 .19 .16 .10 .17 .13 .09 .14 .17 .17 .19
[1] 4yyg.a .08 .09 .07 .09 .09 .07 .14 .08 .10
0
.03 .03 .02 .04 .12 .08 .17 .08 .13 .10 .07 .16 .09 .06 .03 .07 .08 .10 .11
[1] 4yyh.a .07 .08 .09 .10 .08 .06 .16 .09 .11 .03
0
.05 .04 .06 .11 .09 .19 .08 .15 .10 .07 .18 .10 .08 .04 .06 .07 .12 .10
[1] 4yyi.b .06 .06 .04 .09 .07 .08 .12 .10 .13 .03 .05
0
.02 .05 .09 .06 .15 .05 .10 .08 .05 .14 .07 .05 .05 .07 .05 .08 .08
[1] 4yyj.a .07 .07 .06 .09 .07 .06 .14 .09 .11 .02 .04 .02
0
.04 .10 .08 .17 .06 .11 .09 .06 .16 .09 .05 .03 .07 .07 .10 .10
[1] 4yyk.a .06 .10 .08 .09 .08 .07 .17 .12 .13 .04 .06 .05 .04
0
.10 .09 .15 .09 .14 .09 .06 .16 .09 .08 .05 .09 .09 .13 .09
[1] 4z6h.b .05 .09 .10 .13 .12 .12 .16 .19 .21 .12 .11 .09 .10 .10
0
.08 .14 .07 .13 .07 .05 .20 .10 .13 .12 .11 .06 .14 .06
[1] 4z6i.b .07 .07 .07 .11 .08 .09 .14 .16 .16 .08 .09 .06 .08 .09 .08
0
.16 .05 .12 .09 .05 .17 .09 .09 .09 .09 .02 .08 .09
[1] 5e9v.b .12 .16 .14 .13 .15 .17 .17 .24 .24 .17 .19 .15 .17 .15 .14 .16
0
.17 .20 .14 .15 .25 .14 .17 .17 .18 .16 .16 .14
[1] 5eu1.a .06 .03 .05 .09 .06 .07 .12 .15 .16 .08 .08 .05 .06 .09 .07 .05 .17
0
.09 .05 .03 .16 .07 .07 .08 .06 .05 .10 .05
[1] 5f1h.a .14 .11 .10 .15 .14 .14 .05 .08 .10 .13 .15 .10 .11 .14 .13 .12 .20 .09
0
.13 .11 .10 .14 .12 .13 .13 .11 .15 .13
[1] 5f1l.a .06 .07 .09 .12 .11 .11 .12 .17 .19 .10 .10 .08 .09 .09 .07 .09 .14 .05 .13
0
.03 .18 .08 .11 .11 .10 .09 .15 .05
[1] 5f25.a .04 .05 .06 .09 .08 .08 .13 .14 .16 .07 .07 .05 .06 .06 .05 .05 .15 .03 .11 .03
0
.15 .06 .08 .08 .07 .06 .12 .05
[1] 5f2p.a .16 .19 .15 .19 .19 .20 .13 .09 .10 .16 .18 .14 .16 .16 .20 .17 .25 .16 .10 .18 .15
0
.17 .18 .17 .20 .16 .20 .18
[1] 5i40.a .06 .06 .04 .06 .04 .05 .14 .17 .17 .09 .10 .07 .09 .09 .10 .09 .14 .07 .14 .08 .06 .17
0
.06 .09 .08 .09 .08 .05
[1] 5i7x.a .10 .07 .05 .07 .03 .04 .13 .13 .13 .06 .08 .05 .05 .08 .13 .09 .17 .07 .12 .11 .08 .18 .06
0
.05 .06 .10 .07 .08
[1] 5i7y.a .09 .08 .07 .09 .08 .06 .13 .10 .09 .03 .04 .05 .03 .05 .12 .09 .17 .08 .13 .11 .08 .17 .09 .05
0
.06 .09 .11 .11
[1] 5igm.a .10 .03 .06 .09 .06 .06 .12 .14 .14 .07 .06 .07 .07 .09 .11 .09 .18 .06 .13 .10 .07 .20 .08 .06 .06
0
.09 .09 .09
[1] 5ign.a .06 .07 .06 .11 .09 .09 .15 .15 .17 .08 .07 .05 .07 .09 .06 .02 .16 .05 .11 .09 .06 .16 .09 .10 .09 .09
0
.08 .08
[1] 5ji8.a .13 .10 .06 .10 .09 .09 .14 .17 .17 .10 .12 .08 .10 .13 .14 .08 .16 .10 .15 .15 .12 .20 .08 .07 .11 .09 .08
0
.11
[1] 5twx.b .05 .07 .06 .09 .07 .07 .14 .18 .19 .11 .10 .08 .10 .09 .06 .09 .14 .05 .13 .05 .05 .18 .05 .08 .11 .09 .08 .11
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.9 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
3hme.a
4nqn.a
4uit.a
4uiu.a
4uiv.a
4uiw.a
4xy8.a
4yy6.a
4yyd.a
4yyg.a
4yyh.a
4yyi.b
4yyj.a
4yyk.a
4z6h.b
4z6i.b
5e9v.b
5eu1.a
5f1h.a
5f1l.a
5f25.a
5f2p.a
5i40.a
5i7x.a
5i7y.a
5igm.a
5ign.a
5ji8.a
5twx.b
[1] 3hme.a
0
0.6 0.5 0.8 0.6 0.5 0.5 0.3 0.3 0.3 0.3 0.3 0.4 0.4 0.3 0.3 0.5 0.5 0.5 0.4 0.3 0.3 0.6 0.5 0.5 0.6 0.3 0.6 0.5
[1] 4nqn.a 0.6
0
0.5 0.9 0.4 0.5 0.4 0.6 0.7 0.6 0.6 0.6 0.6 0.6 0.5 0.5 0.7 0.3 0.3 0.5 0.5 0.5 0.6 0.4 0.4 0.4 0.5 0.5 0.5
[1] 4uit.a 0.5 0.5
0
0.6 0.2 0.2 0.4 0.5 0.5 0.5 0.4 0.5 0.4 0.6 0.4 0.4 0.7 0.3 0.4 0.4 0.3 0.4 0.2 0.2 0.3 0.4 0.5 0.3 0.3
[1] 4uiu.a 0.8 0.9 0.6
0
0.7 0.8 0.8 0.8 0.8 0.8 0.8 0.9 0.8 0.9 0.8 0.8 0.9 0.7 0.8 0.7 0.7 0.7 0.7 0.7 0.8 0.9 0.9 0.8 0.8
[1] 4uiv.a 0.6 0.4 0.2 0.7
0
0.1 0.4 0.6 0.6 0.6 0.5 0.6 0.5 0.6 0.5 0.4 0.8 0.4 0.4 0.5 0.4 0.5 0.2 0.1 0.2 0.3 0.6 0.2 0.3
[1] 4uiw.a 0.5 0.5 0.2 0.8 0.1
0
0.4 0.5 0.5 0.5 0.5 0.5 0.5 0.6 0.5 0.4 0.8 0.4 0.4 0.5 0.4 0.5 0.3 0.1 0.2 0.3 0.6 0.2 0.3
[1] 4xy8.a 0.5 0.4 0.4 0.8 0.4 0.4
0
0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.4 0.3 0.6 0.2 0.3 0.4 0.3 0.4 0.4 0.4 0.4 0.3 0.4 0.4 0.4
[1] 4yy6.a 0.3 0.6 0.5 0.8 0.6 0.5 0.5
0
0.2 0.2 0.2 0.3 0.2 0.3 0.3 0.3 0.6 0.6 0.5 0.5 0.4 0.3 0.6 0.5 0.4 0.6 0.4 0.5 0.5
[1] 4yyd.a 0.3 0.7 0.5 0.8 0.6 0.5 0.5 0.2
0
0.2 0.2 0.3 0.3 0.4 0.3 0.3 0.5 0.6 0.5 0.5 0.3 0.3 0.6 0.5 0.5 0.6 0.3 0.6 0.6
[1] 4yyg.a 0.3 0.6 0.5 0.8 0.6 0.5 0.5 0.2 0.2
0
0.2 0.4 0.3 0.4 0.3 0.4 0.6 0.6 0.5 0.5 0.4 0.3 0.6 0.5 0.4 0.6 0.4 0.5 0.5
[1] 4yyh.a 0.3 0.6 0.4 0.8 0.5 0.5 0.5 0.2 0.2 0.2
0
0.3 0.2 0.4 0.3 0.3 0.6 0.6 0.5 0.5 0.3 0.3 0.5 0.5 0.4 0.6 0.4 0.5 0.4
[1] 4yyi.b 0.3 0.6 0.5 0.9 0.6 0.5 0.5 0.3 0.3 0.4 0.3
0
0.2 0.3 0.4 0.3 0.6 0.6 0.5 0.5 0.4 0.4 0.6 0.5 0.5 0.6 0.3 0.5 0.6
[1] 4yyj.a 0.4 0.6 0.4 0.8 0.5 0.5 0.5 0.2 0.3 0.3 0.2 0.2
0
0.3 0.3 0.3 0.6 0.5 0.5 0.5 0.4 0.3 0.6 0.5 0.4 0.5 0.4 0.5 0.5
[1] 4yyk.a 0.4 0.6 0.6 0.9 0.6 0.6 0.5 0.3 0.4 0.4 0.4 0.3 0.3
0
0.4 0.4 0.6 0.6 0.5 0.5 0.5 0.4 0.7 0.6 0.5 0.6 0.4 0.6 0.6
[1] 4z6h.b 0.3 0.5 0.4 0.8 0.5 0.5 0.4 0.3 0.3 0.3 0.3 0.4 0.3 0.4
0
0.3 0.5 0.4 0.4 0.3 0.2 0.2 0.5 0.5 0.5 0.5 0.3 0.5 0.4
[1] 4z6i.b 0.3 0.5 0.4 0.8 0.4 0.4 0.3 0.3 0.3 0.4 0.3 0.3 0.3 0.4 0.3
0
0.5 0.4 0.4 0.4 0.2 0.3 0.5 0.4 0.4 0.5 0.2 0.4 0.4
[1] 5e9v.b 0.5 0.7 0.7 0.9 0.8 0.8 0.6 0.6 0.5 0.6 0.6 0.6 0.6 0.6 0.5 0.5
0
0.6 0.6 0.5 0.5 0.5 0.8 0.8 0.8 0.8 0.5 0.8 0.8
[1] 5eu1.a 0.5 0.3 0.3 0.7 0.4 0.4 0.2 0.6 0.6 0.6 0.6 0.6 0.5 0.6 0.4 0.4 0.6
0
0.2 0.3 0.3 0.4 0.5 0.4 0.4 0.3 0.5 0.4 0.4
[1] 5f1h.a 0.5 0.3 0.4 0.8 0.4 0.4 0.3 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.4 0.4 0.6 0.2
0
0.3 0.3 0.4 0.5 0.4 0.4 0.3 0.4 0.5 0.4
[1] 5f1l.a 0.4 0.5 0.4 0.7 0.5 0.5 0.4 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.3 0.4 0.5 0.3 0.3
0
0.3 0.3 0.5 0.4 0.4 0.5 0.4 0.5 0.5
[1] 5f25.a 0.3 0.5 0.3 0.7 0.4 0.4 0.3 0.4 0.3 0.4 0.3 0.4 0.4 0.5 0.2 0.2 0.5 0.3 0.3 0.3
0
0.2 0.4 0.4 0.4 0.4 0.3 0.5 0.4
[1] 5f2p.a 0.3 0.5 0.4 0.7 0.5 0.5 0.4 0.3 0.3 0.3 0.3 0.4 0.3 0.4 0.2 0.3 0.5 0.4 0.4 0.3 0.2
0
0.5 0.4 0.4 0.5 0.3 0.5 0.4
[1] 5i40.a 0.6 0.6 0.2 0.7 0.2 0.3 0.4 0.6 0.6 0.6 0.5 0.6 0.6 0.7 0.5 0.5 0.8 0.5 0.5 0.5 0.4 0.5
0
0.2 0.4 0.4 0.6 0.3 0.4
[1] 5i7x.a 0.5 0.4 0.2 0.7 0.1 0.1 0.4 0.5 0.5 0.5 0.5 0.5 0.5 0.6 0.5 0.4 0.8 0.4 0.4 0.4 0.4 0.4 0.2
0
0.2 0.3 0.5 0.2 0.3
[1] 5i7y.a 0.5 0.4 0.3 0.8 0.2 0.2 0.4 0.4 0.5 0.4 0.4 0.5 0.4 0.5 0.5 0.4 0.8 0.4 0.4 0.4 0.4 0.4 0.4 0.2
0
0.3 0.5 0.2 0.4
[1] 5igm.a 0.6 0.4 0.4 0.9 0.3 0.3 0.3 0.6 0.6 0.6 0.6 0.6 0.5 0.6 0.5 0.5 0.8 0.3 0.3 0.5 0.4 0.5 0.4 0.3 0.3
0
0.6 0.3 0.4
[1] 5ign.a 0.3 0.5 0.5 0.9 0.6 0.6 0.4 0.4 0.3 0.4 0.4 0.3 0.4 0.4 0.3 0.2 0.5 0.5 0.4 0.4 0.3 0.3 0.6 0.5 0.5 0.6
0
0.5 0.5
[1] 5ji8.a 0.6 0.5 0.3 0.8 0.2 0.2 0.4 0.5 0.6 0.5 0.5 0.5 0.5 0.6 0.5 0.4 0.8 0.4 0.5 0.5 0.5 0.5 0.3 0.2 0.2 0.3 0.5
0
0.4
[1] 5twx.b 0.5 0.5 0.3 0.8 0.3 0.3 0.4 0.5 0.6 0.5 0.4 0.6 0.5 0.6 0.4 0.4 0.8 0.4 0.4 0.5 0.4 0.4 0.4 0.3 0.4 0.4 0.5 0.4
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.4 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
3hme.a
4nqn.a
4uit.a
4uiu.a
4uiv.a
4uiw.a
4xy8.a
4yy6.a
4yyd.a
4yyg.a
4yyh.a
4yyi.b
4yyj.a
4yyk.a
4z6h.b
4z6i.b
5e9v.b
5eu1.a
5f1h.a
5f1l.a
5f25.a
5f2p.a
5i40.a
5i7x.a
5i7y.a
5igm.a
5ign.a
5ji8.a
5twx.b
[1] 3hme.a
0
0.8 0.9 1.1 1.0 1.0 1.1 1.1 1.2 0.8 0.9 1.0 0.8 0.9 0.4 0.7 1.1 0.6 1.0 0.6 0.6 1.2 0.8 0.8 0.8 0.8 1.0 0.7 0.9
[1] 4nqn.a 0.8
0
0.9 1.2 0.9 0.9 1.2 1.3 1.5 1.0 1.1 1.2 1.1 1.1 0.8 0.8 1.3 0.6 1.1 0.7 0.7 1.4 0.8 0.8 0.8 0.7 1.2 0.7 0.9
[1] 4uit.a 0.9 0.9
0
0.7 0.4 0.4 1.1 1.2 1.4 1.1 1.1 1.2 1.2 1.1 0.9 1.0 1.3 0.9 1.2 0.9 0.9 1.3 0.5 0.8 0.8 0.8 1.2 0.5 0.8
[1] 4uiu.a 1.1 1.2 0.7
0
0.8 0.9 1.3 1.4 1.6 1.3 1.3 1.5 1.4 1.3 1.2 1.3 1.5 1.1 1.4 1.1 1.2 1.5 0.8 1.1 1.1 1.2 1.4 0.9 1.0
[1] 4uiv.a 1.0 0.9 0.4 0.8
0
0.2 1.2 1.3 1.5 1.1 1.1 1.2 1.2 1.1 1.0 0.9 1.4 0.9 1.2 0.9 1.0 1.4 0.5 0.7 0.8 0.9 1.1 0.5 0.8
[1] 4uiw.a 1.0 0.9 0.4 0.9 0.2
0
1.2 1.3 1.5 1.1 1.1 1.2 1.2 1.1 1.0 0.9 1.4 0.9 1.2 0.9 1.0 1.4 0.6 0.8 0.8 0.9 1.2 0.5 0.8
[1] 4xy8.a 1.1 1.2 1.1 1.3 1.2 1.2
0
0.9 1.2 1.2 1.3 1.4 1.3 1.2 1.1 1.3 1.4 1.1 0.7 0.8 0.7 0.9 1.1 1.2 1.2 1.1 1.5 1.0 1.2
[1] 4yy6.a 1.1 1.3 1.2 1.4 1.3 1.3 0.9
0
0.7 0.9 1.0 1.3 1.2 1.1 1.2 1.2 1.4 1.2 0.8 0.9 0.8 0.7 1.1 1.0 1.0 1.1 1.4 1.0 1.3
[1] 4yyd.a 1.2 1.5 1.4 1.6 1.5 1.5 1.2 0.7
0
0.9 1.1 1.1 1.0 1.2 1.3 1.2 1.3 1.3 1.0 1.0 0.9 0.8 1.1 1.1 1.1 1.2 1.2 1.0 1.4
[1] 4yyg.a 0.8 1.0 1.1 1.3 1.1 1.1 1.2 0.9 0.9
0
0.7 0.9 0.8 0.8 0.8 0.8 1.2 0.8 1.0 0.8 0.8 1.1 0.9 0.7 0.7 0.8 1.1 0.7 1.1
[1] 4yyh.a 0.9 1.1 1.1 1.3 1.1 1.1 1.3 1.0 1.1 0.7
0
1.0 0.8 0.8 0.9 0.9 1.3 0.9 1.1 0.9 0.8 1.2 0.9 0.8 0.8 0.9 1.2 0.7 0.9
[1] 4yyi.b 1.0 1.2 1.2 1.5 1.2 1.2 1.4 1.3 1.1 0.9 1.0
0
0.4 0.9 1.0 0.9 1.1 1.1 1.3 0.9 0.9 1.3 0.8 0.9 1.0 1.0 0.8 0.7 0.9
[1] 4yyj.a 0.8 1.1 1.2 1.4 1.2 1.2 1.3 1.2 1.0 0.8 0.8 0.4
0
0.8 0.8 0.8 1.1 0.9 1.2 0.8 0.8 1.3 0.7 0.8 0.8 0.9 0.9 0.6 0.9
[1] 4yyk.a 0.9 1.1 1.1 1.3 1.1 1.1 1.2 1.1 1.2 0.8 0.8 0.9 0.8
0
0.9 1.0 1.3 0.9 1.1 0.9 0.8 1.2 0.9 1.0 0.9 0.9 1.2 0.8 1.1
[1] 4z6h.b 0.4 0.8 0.9 1.2 1.0 1.0 1.1 1.2 1.3 0.8 0.9 1.0 0.8 0.9
0
0.8 1.1 0.5 1.0 0.5 0.5 1.2 0.8 0.8 0.8 0.7 1.1 0.7 0.9
[1] 4z6i.b 0.7 0.8 1.0 1.3 0.9 0.9 1.3 1.2 1.2 0.8 0.9 0.9 0.8 1.0 0.8
0
1.1 0.7 1.2 0.8 0.8 1.3 0.7 0.6 0.7 0.8 0.7 0.6 0.9
[1] 5e9v.b 1.1 1.3 1.3 1.5 1.4 1.4 1.4 1.4 1.3 1.2 1.3 1.1 1.1 1.3 1.1 1.1
0
1.2 1.4 1.1 1.2 1.5 1.1 1.1 1.2 1.3 0.9 1.0 1.1
[1] 5eu1.a 0.6 0.6 0.9 1.1 0.9 0.9 1.1 1.2 1.3 0.8 0.9 1.1 0.9 0.9 0.5 0.7 1.2
0
0.9 0.5 0.6 1.3 0.7 0.7 0.8 0.5 1.1 0.6 0.9
[1] 5f1h.a 1.0 1.1 1.2 1.4 1.2 1.2 0.7 0.8 1.0 1.0 1.1 1.3 1.2 1.1 1.0 1.2 1.4 0.9
0
0.6 0.7 0.8 1.1 1.0 1.0 1.0 1.4 0.9 1.2
[1] 5f1l.a 0.6 0.7 0.9 1.1 0.9 0.9 0.8 0.9 1.0 0.8 0.9 0.9 0.8 0.9 0.5 0.8 1.1 0.5 0.6
0
0.5 0.7 0.8 0.8 0.8 0.6 1.1 0.7 0.8
[1] 5f25.a 0.6 0.7 0.9 1.2 1.0 1.0 0.7 0.8 0.9 0.8 0.8 0.9 0.8 0.8 0.5 0.8 1.2 0.6 0.7 0.5
0
0.6 0.6 0.8 0.7 0.7 1.1 0.7 0.8
[1] 5f2p.a 1.2 1.4 1.3 1.5 1.4 1.4 0.9 0.7 0.8 1.1 1.2 1.3 1.3 1.2 1.2 1.3 1.5 1.3 0.8 0.7 0.6
0
1.2 1.2 1.1 1.2 1.5 1.1 1.4
[1] 5i40.a 0.8 0.8 0.5 0.8 0.5 0.6 1.1 1.1 1.1 0.9 0.9 0.8 0.7 0.9 0.8 0.7 1.1 0.7 1.1 0.8 0.6 1.2
0
0.5 0.6 0.6 0.8 0.6 0.8
[1] 5i7x.a 0.8 0.8 0.8 1.1 0.7 0.8 1.2 1.0 1.1 0.7 0.8 0.9 0.8 1.0 0.8 0.6 1.1 0.7 1.0 0.8 0.8 1.2 0.5
0
0.4 0.6 0.9 0.4 0.8
[1] 5i7y.a 0.8 0.8 0.8 1.1 0.8 0.8 1.2 1.0 1.1 0.7 0.8 1.0 0.8 0.9 0.8 0.7 1.2 0.8 1.0 0.8 0.7 1.1 0.6 0.4
0
0.6 1.0 0.5 0.8
[1] 5igm.a 0.8 0.7 0.8 1.2 0.9 0.9 1.1 1.1 1.2 0.8 0.9 1.0 0.9 0.9 0.7 0.8 1.3 0.5 1.0 0.6 0.7 1.2 0.6 0.6 0.6
0
1.1 0.5 0.9
[1] 5ign.a 1.0 1.2 1.2 1.4 1.1 1.2 1.5 1.4 1.2 1.1 1.2 0.8 0.9 1.2 1.1 0.7 0.9 1.1 1.4 1.1 1.1 1.5 0.8 0.9 1.0 1.1
0
0.7 0.9
[1] 5ji8.a 0.7 0.7 0.5 0.9 0.5 0.5 1.0 1.0 1.0 0.7 0.7 0.7 0.6 0.8 0.7 0.6 1.0 0.6 0.9 0.7 0.7 1.1 0.6 0.4 0.5 0.5 0.7
0
0.8
[1] 5twx.b 0.9 0.9 0.8 1.0 0.8 0.8 1.2 1.3 1.4 1.1 0.9 0.9 0.9 1.1 0.9 0.9 1.1 0.9 1.2 0.8 0.8 1.4 0.8 0.8 0.8 0.9 0.9 0.8
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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