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PAK1_HUMAN_249_545

Serine/threonine-protein kinase PAK 1 [Protein kinase superfamily. STE Ser/Thr protein kinase family. STE20 subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (PAK1_HUMAN):D: Protein kinase (274:286, 291:293, 295:301, 312, 315, 316, 319, 328, 330, 333, 340:351, 354, 393, 394, 396, 406:410, 413)
538, 541
274:286, 291:293, 295:301, 312, 315, 316, 319, 328, 330, 333, 340:351, 354, 393, 394, 396, 406:410, 413, 538, 541

Full PDB list

1f3m, 1yhv, 1yhw, 2hy8, 3fxz, 3fy0, 3q4z, 3q52, 3q53, 4daw, 4eqc, 4o0r, 4o0t, 4p90, 4zji, 4zjj, 4zlo, 4zy4, 4zy5, 4zy6, 5dew, 5dey, 5dfp, 5ime, 5kbq, 5kbr, 6b16 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
I
2
7
6
G
2
7
7
Q
2
7
8
G
2
7
9
A
2
8
0
S
2
8
1
G
2
8
2
T
2
8
3
V
2
8
4
A
2
9
1
T
2
9
2
G
2
9
3
A
2
9
7
I
2
9
8
K
2
9
9
M
3
0
1
I
3
1
2
E
3
1
5
I
3
1
6
M
3
1
9
V
3
2
8
Y
3
3
0
V
3
4
2
M
3
4
4
E
3
4
5
Y
3
4
6
L
3
4
7
A
3
4
8
G
3
5
0
S
3
5
1
D
3
5
4
D
3
9
3
N
3
9
4
L
3
9
6
T
4
0
6
D
4
0
7
F
4
0
8
K
5
3
8
T
5
4
1
[1]2hy8.1 1st36 . . . . . . . . . . . . . . R . . . . . . . . . . . . . . . . . . . . . . . .
[1]3fxz.a fll42 . . . . . . . . . . . . . . R . . . . . . . . . . . . . . . . . . . . . . . .
[1]3fy0.a dw131 . . . . . . . . . . . . . . R . . . . . . . . . . . . . . . . . . . . . . . .
[1]3q4z.a anp,mg32 . . . . . . . . . - - - . . R . . . . . . . . . . . . . . . . . . . . . . . .
[1]3q52.a none . . . . . . . . . . . . . . R . . . . . . . . . . . . . . . . . . . . . . . .
[1]3q53.a atp,mg32 . . . . . . . . . . . . . . R . . . . . . . . . . . . . . . . . . . . . . . .
[1]4daw.a 0h230 . . . . . . . . . . . . . . R . . . . . . . . . . . . . . . . . . . . . . . .
[1]4eqc.a xr139 . . . . . . . . . . . . . . R . . . . . . . . . . . . . . . . . . . . . . . .
[1]4o0r.a x4z35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4o0t.a 2ol30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4p90.a 2k031 . . . . . . . . . . I K - - - - . . . . . . . . . . . . . . . . . . . . . . .
[1]4p90.b 2k031 . . - - - - . . . . . . . . . . - . . . . . . . . . . . . . . . . . . . - . .
[1]4zy4.a 4t325 . . . . . . . . . . . . . . . - . . . . . . . . . . . . . . . . . . . . . . .
[1]4zy5.a 4t524 . . . . . . . . . . . . . . . - . . . . . . . . . . . . . . . . . . . . . . .
[1]4zy6.a 4t627 . . . . . . . . . . . . . . . - . . . . . . . . . . . . . . . . . . . . . . .
[1]5dew.a 59n36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5dey.a 59t35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5dfp.a 59u37 . . . . . . . . . . . . . . R . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ime.a 6bz32 . . . . . . . . . - - - . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5kbq.a ipv34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5kbr.a ipw29 . . . . . . . . . - - - . . . - . . . . . . . . . . . . . . . . . . . . . . .
[1]6b16.a c7y27 . . . . . . . . . . . . . . . - . . . . . . . . . . . . . . . . . . . . . . .
[2]4zji.c 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
E
2
7
4
K
2
7
5
I
2
7
6
G
2
7
7
Q
2
7
8
G
2
7
9
A
2
8
0
S
2
8
1
G
2
8
2
T
2
8
3
V
2
8
4
Y
2
8
5
T
2
8
6
A
2
9
1
T
2
9
2
G
2
9
3
E
2
9
5
V
2
9
6
A
2
9
7
I
2
9
8
K
2
9
9
Q
3
0
0
M
3
0
1
I
3
1
2
E
3
1
5
I
3
1
6
M
3
1
9
V
3
2
8
Y
3
3
0
S
3
3
3
L
3
4
0
W
3
4
1
V
3
4
2
V
3
4
3
M
3
4
4
E
3
4
5
Y
3
4
6
L
3
4
7
A
3
4
8
G
3
4
9
G
3
5
0
S
3
5
1
D
3
5
4
D
3
9
3
N
3
9
4
L
3
9
6
T
4
0
6
D
4
0
7
F
4
0
8
G
4
0
9
F
4
1
0
Q
4
1
3
K
5
3
8
T
5
4
1
[1]2hy8.1 . . . * * . . . . . * . . . . . . . . . R . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3fxz.a . . . . . . . . . . . . . . . . . . . . R . . * . . * . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3fy0.a . . . . . . . . . . . . . . . . . . . . R . . * . . * . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3q4z.a . . * . . * . . . . . . . - - - . . . . R . . . . . * . . . . . . . * . . . . . . . . . . . . . . . . . . .
[1]3q52.a . . . . . . . . . . . . . . . . . . . . R . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3q53.a . . . . . . . . . . * . . . . . . . . . R . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4daw.a . . . . . . . . . . . . . . . . . . . . R . . * . . * . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4eqc.a . . . . . . . . . . . . . . . . . . . . R . . . . . * . . . . . . . . . . . . . . . . . . . . * . . . . . .
[1]4o0r.a . . . . . * . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4o0t.a . . * * * * . . * . * . . . . . . . . . * . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . .
[1]4p90.a . . . . * * . . . . . . . . I K M - - - - - - . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4p90.b . . . . - - - - . . . . . . . . . . . . * . . - . . . . . . . . . . . . . . . . . . . . . . . . - - - - . .
[1]4zy4.a . . . . * * . . . . . . . . . . . . . . * . - * . . * . . . . . . . * . . . . . . . . . . . . . . . . . . .
[1]4zy5.a - . . . * * . . . . . . . . . . . . . . * . - . . . * . . . . . . . * . . . . . . . . . . . . . . . . . . .
[1]4zy6.a . . . . . . . . . . . . . . . . . . . . * . - . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5dew.a . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5dey.a . . . . * . . . . . . . . . . . . . . . * . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5dfp.a . . . . . . . . . . . . . . . . . . . . R . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ime.a - . . . . * . . . . * . . - - - . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . * . . . . . .
[1]5kbq.a . . . . * * * . . . * . . . . . . . . . * . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5kbr.a . . . . * . . . . . * . . - - - . . . . * . - . . . * . . . - . . . . . . . . . . . . . . . . . . . . - . .
[1]6b16.a . . . . . * . . . . . . . . . . . . . . * . - . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]4zji.c . . * * . . . . . . * . . . . . . . * * * . . . . . . . . . . . . . * . * . . . . . . . . . . . * . . . . .

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
2hy8.1:1st
3fxz.a:fll
3fy0.a:dw1
3q4z.a:anp,mg
3q52.a is apo
3q53.a:atp,mg
4daw.a:0h2
4eqc.a:xr1
4o0r.a:x4z
4o0t.a:2ol
4p90.a:2k0
4p90.b:2k0
4zy4.a:4t3
4zy5.a:4t5
4zy6.a:4t6
5dew.a:59n
5dey.a:59t
5dfp.a:59u
5ime.a:6bz
5kbq.a:ipv
5kbr.a:ipw
6b16.a:c7y
4zji.c is apo
[1] 2hy8.1
0
4.9 3.0 1.9 - 1.2 1.9 1.6 3.3 2.6 0.7 1.6 0.8 0.3 0.8 1.3 1.5 1.8 2.8 1.5 0.6 1.0 -
[1] 3fxz.a 0.1
0
0.2 0.2 - 0.2 0.3 1.9 0.6 2.2 0.8 1.3 0.4 0.2 0.2 2.3 2.1 2.7 3.7 0.5 1.4 0.4 -
[1] 3fy0.a 0.1 0.2
0
0.3 - 0.3 0.3 2.7 0.5 2.8 0.3 1.3 0.5 0.2 0.2 2.5 2.6 2.7 3.8 0.4 1.3 0.3 -
[1] 3q4z.a 0.7 6.3 3.1
0.1
- 0.3 2.2 1.3 2.2 3.3 1.1 2.1 0.8 0.5 1.4 1.7 1.7 1.2 1.5 1.6 0.7 0.9 -
[1] 3q52.a 0 0.1 0.4 0.3
-
0.1 0.5 1.4 0.7 2.6 0.5 1.5 0.4 0.1 0.3 1.1 1.5 1.4 2.1 0.4 0.6 0.4 -
[1] 3q53.a 0.3 2.5 1.4 0 -
0.1
1.7 0.6 1.1 2.6 0.2 1.0 0.3 0.2 0.3 0.8 0.8 0.5 0.7 0.5 0.1 0.4 -
[1] 4daw.a 0.3 1.2 0.6 0.1 - 0
0.1
2.0 0.5 2.1 1.1 1.3 0.2 0.2 0.2 2.4 2.2 2.7 3.0 0.8 2.0 0.4 -
[1] 4eqc.a 0.9 1.3 0.5 0.2 - 1.2 2.2
0
1.4 2.4 1.1 0.7 0.5 0.2 0.6 0 0 0 0.4 0.6 0.2 0.5 -
[1] 4o0r.a 0.4 2.3 0.4 0.1 - 0.1 0.7 1.1
0
2.2 0.5 1.0 0.2 0 0.3 1.6 1.3 1.4 1.7 0.3 0.8 0.2 -
[1] 4o0t.a 0.1 5.7 2.9 0.9 - 1.0 2.5 2.0 2.7
0
0.9 1.4 0 0.1 0.2 2.8 2.3 2.5 3.0 1.3 1.2 0.2 -
[1] 4p90.a 0.4 3.9 1.5 0.3 - 0.5 2.2 1.2 0.9 2.1
0
0.8 0.1 0 0.2 1.5 1.1 1.7 1.1 0.3 0 0.3 -
[1] 4p90.b 0.2 0.8 1.1 0.2 - 0.3 0.7 0.3 0.6 0.9 0.6
0
0.3 0.1 0.2 0.6 0.4 0.4 1.1 0.6 0.1 0.7 -
[1] 4zy4.a 0.6 3.9 0.8 0.3 - 0.1 0.6 2.4 0.2 2.9 1.2 2.0
0
0 0.1 2.9 2.8 3.3 3.5 0.9 1.7 0.2 -
[1] 4zy5.a 0.7 4.7 1.2 0.1 - 0 0.7 2.1 0.8 3.1 1.1 2.0 0.1
0
0.1 2.4 2.2 2.4 2.4 1.3 1.4 0.2 -
[1] 4zy6.a 0.7 1.7 0.9 0.1 - 0.1 0.2 2.3 0.1 2.5 1.5 1.5 0 0
0
2.4 1.8 2.2 2.3 1.2 1.7 0.1 -
[1] 5dew.a 0 0.1 0 0.2 - 0 0.4 0 0.4 1.9 0.3 0.4 0.3 0.1 0.2
0
0.2 0 0.2 0.3 0 0.3 -
[1] 5dey.a 0 1.6 0.1 0.2 - 0 0.9 0 0.5 1.8 0 0.4 0.3 0 0.1 0
0
0 0 0.1 0 0.1 -
[1] 5dfp.a 0.1 1.4 1.3 0.1 - 0.1 1.7 0 1.1 2.2 0.3 0.8 0.4 0.1 0.3 0.1 0.2
0
0 0.3 0 0.3 -
[1] 5ime.a 0.5 2.4 1.3 0.3 - 0.9 2.6 0.3 2.2 2.7 0.8 1.2 0.5 0.3 0.6 0.2 0.4 0.1
0
1.2 0.1 0.9 -
[1] 5kbq.a 0.6 5.3 1.7 0.9 - 0.9 2.1 1.5 1.1 2.9 0.2 1.1 0.1 0.1 0.3 1.8 1.7 1.6 0.8
0
0.3 0.5 -
[1] 5kbr.a 0.5 5.0 2.4 0.9 - 0.9 2.7 1.3 2.0 2.3 0.1 0.7 0.3 0.2 0.8 1.2 1.3 1.2 1.3 0.7
0
0.7 -
[1] 6b16.a 0.4 1.8 0.7 0.4 - 0.1 0.6 1.3 0.1 2.2 0.7 0.7 0.1 0 0 1.4 1.0 2.1 1.8 0.6 0.9
0
-
[2] 4zji.c 8.0 12 9.2 8.2 - 8.7 11 9.1 12 10 8.4 8.7 6.2 6.2 8.0 11 9.8 10 11 8.7 8.9 8.6
-
[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
2hy8.1
3fxz.a
3fy0.a
3q4z.a
3q52.a
3q53.a
4daw.a
4eqc.a
4o0r.a
4o0t.a
4p90.a
4p90.b
4zy4.a
4zy5.a
4zy6.a
5dew.a
5dey.a
5dfp.a
5ime.a
5kbq.a
5kbr.a
6b16.a
4zji.c
[1] 2hy8.1
0
.13 .14 .14 .10 .10 .10 .14 .15 .13 .17 .16 .13 .12 .13 .16 .14 .11 .14 .14 .08 .16 .39
[1] 3fxz.a .13
0
.02 .14 .05 .08 .05 .09 .10 .22 .18 .10 .13 .17 .09 .08 .10 .06 .13 .15 .15 .11 .40
[1] 3fy0.a .14 .02
0
.14 .06 .09 .06 .09 .10 .22 .19 .11 .13 .17 .08 .09 .10 .06 .14 .16 .15 .10 .40
[1] 3q4z.a .14 .14 .14
0
.11 .09 .10 .14 .09 .17 .17 .15 .08 .08 .10 .14 .12 .11 .12 .13 .12 .10 .44
[1] 3q52.a .10 .05 .06 .11
0
.05 .05 .06 .08 .19 .15 .08 .11 .13 .06 .06 .07 .04 .09 .13 .12 .08 .39
[1] 3q53.a .10 .08 .09 .09 .05
0
.04 .06 .07 .18 .13 .08 .10 .10 .06 .08 .07 .04 .09 .13 .09 .07 .40
[1] 4daw.a .10 .05 .06 .10 .05 .04
0
.08 .07 .19 .14 .10 .09 .13 .05 .08 .07 .06 .11 .12 .10 .09 .41
[1] 4eqc.a .14 .09 .09 .14 .06 .06 .08
0
.10 .20 .14 .06 .14 .13 .08 .06 .05 .04 .06 .16 .14 .09 .42
[1] 4o0r.a .15 .10 .10 .09 .08 .07 .07 .10
0
.22 .12 .11 .08 .10 .08 .08 .07 .09 .10 .13 .14 .05 .45
[1] 4o0t.a .13 .22 .22 .17 .19 .18 .19 .20 .22
0
.21 .18 .17 .15 .19 .21 .19 .18 .20 .17 .14 .19 .40
[1] 4p90.a .17 .18 .19 .17 .15 .13 .14 .14 .12 .21
0
.17 .14 .15 .14 .13 .10 .15 .15 .13 .14 .13 .50
[1] 4p90.b .16 .10 .11 .15 .08 .08 .10 .06 .11 .18 .17
0
.16 .15 .11 .06 .08 .05 .11 .19 .16 .10 .38
[1] 4zy4.a .13 .13 .13 .08 .11 .10 .09 .14 .08 .17 .14 .16
0
.07 .09 .14 .10 .12 .13 .11 .11 .10 .47
[1] 4zy5.a .12 .17 .17 .08 .13 .10 .13 .13 .10 .15 .15 .15 .07
0
.11 .14 .10 .13 .12 .12 .10 .09 .45
[1] 4zy6.a .13 .09 .08 .10 .06 .06 .05 .08 .08 .19 .14 .11 .09 .11
0
.08 .07 .07 .11 .12 .11 .05 .42
[1] 5dew.a .16 .08 .09 .14 .06 .08 .08 .06 .08 .21 .13 .06 .14 .14 .08
0
.05 .05 .11 .16 .15 .07 .42
[1] 5dey.a .14 .10 .10 .12 .07 .07 .07 .05 .07 .19 .10 .08 .10 .10 .07 .05
0
.06 .08 .12 .12 .06 .43
[1] 5dfp.a .11 .06 .06 .11 .04 .04 .06 .04 .09 .18 .15 .05 .12 .13 .07 .05 .06
0
.09 .15 .12 .08 .38
[1] 5ime.a .14 .13 .14 .12 .09 .09 .11 .06 .10 .20 .15 .11 .13 .12 .11 .11 .08 .09
0
.14 .13 .11 .44
[1] 5kbq.a .14 .15 .16 .13 .13 .13 .12 .16 .13 .17 .13 .19 .11 .12 .12 .16 .12 .15 .14
0
.09 .13 .47
[1] 5kbr.a .08 .15 .15 .12 .12 .09 .10 .14 .14 .14 .14 .16 .11 .10 .11 .15 .12 .12 .13 .09
0
.13 .41
[1] 6b16.a .16 .11 .10 .10 .08 .07 .09 .09 .05 .19 .13 .10 .10 .09 .05 .07 .06 .08 .11 .13 .13
0
.44
[2] 4zji.c .39 .40 .40 .44 .39 .40 .41 .42 .45 .40 .50 .38 .47 .45 .42 .42 .43 .38 .44 .47 .41 .44
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.8 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
2hy8.1
3fxz.a
3fy0.a
3q4z.a
3q52.a
3q53.a
4daw.a
4eqc.a
4o0r.a
4o0t.a
4p90.a
4p90.b
4zy4.a
4zy5.a
4zy6.a
5dew.a
5dey.a
5dfp.a
5ime.a
5kbq.a
5kbr.a
6b16.a
4zji.c
[1] 2hy8.1
0
1.6 2.0 1.8 1.4 1.0 1.1 1.2 1.9 1.6 4.9 2.2 1.9 1.6 2.2 1.9 1.5 1.3 1.7 1.8 1.1 1.9 3.4
[1] 3fxz.a 1.6
0
0.6 1.6 0.6 1.1 0.9 0.8 1.6 2.0 5.1 2.0 1.7 1.5 1.5 0.8 1.0 0.8 1.6 1.9 2.0 1.4 4.2
[1] 3fy0.a 2.0 0.6
0
1.6 1.0 1.5 1.2 1.1 1.6 2.1 5.3 2.1 1.7 1.6 1.4 0.8 1.1 1.2 1.7 2.0 2.3 1.4 4.4
[1] 3q4z.a 1.8 1.6 1.6
0
1.7 1.6 1.4 1.6 0.9 1.9 3.1 2.3 0.8 0.8 1.2 1.7 1.2 1.8 1.4 1.1 1.7 0.9 4.8
[1] 3q52.a 1.4 0.6 1.0 1.7
0
0.8 0.6 0.6 1.5 2.0 4.9 2.1 1.7 1.6 1.7 1.1 1.1 0.7 1.4 1.8 1.7 1.5 4.0
[1] 3q53.a 1.0 1.1 1.5 1.6 0.8
0
0.6 0.8 1.6 1.8 4.9 2.1 1.7 1.5 1.8 1.4 1.2 0.9 1.3 1.6 1.3 1.6 3.8
[1] 4daw.a 1.1 0.9 1.2 1.4 0.6 0.6
0
0.6 1.3 1.8 4.9 2.0 1.4 1.3 1.6 1.2 1.0 0.8 1.5 1.5 1.4 1.3 4.0
[1] 4eqc.a 1.2 0.8 1.1 1.6 0.6 0.8 0.6
0
1.6 2.0 5.0 1.7 1.6 1.4 1.6 0.9 0.9 0.4 1.4 1.8 1.6 1.4 3.9
[1] 4o0r.a 1.9 1.6 1.6 0.9 1.5 1.6 1.3 1.6
0
1.9 5.1 2.6 0.8 1.0 1.1 1.7 1.2 1.8 1.5 0.9 1.7 0.9 4.8
[1] 4o0t.a 1.6 2.0 2.1 1.9 2.0 1.8 1.8 2.0 1.9
0
5.0 2.9 1.8 1.7 2.2 2.2 1.9 2.1 1.9 1.9 1.6 2.0 3.7
[1] 4p90.a 4.9 5.1 5.3 3.1 4.9 4.9 4.9 5.0 5.1 5.0
0
6.2 5.2 5.3 5.3 5.3 5.1 5.0 2.9 5.0 3.0 5.3 6.2
[1] 4p90.b 2.2 2.0 2.1 2.3 2.1 2.1 2.0 1.7 2.6 2.9 6.2
0
2.4 2.2 2.1 1.7 1.7 1.8 2.5 2.9 2.4 2.0 3.4
[1] 4zy4.a 1.9 1.7 1.7 0.8 1.7 1.7 1.4 1.6 0.8 1.8 5.2 2.4
0
0.7 1.1 1.7 1.2 1.9 1.6 1.1 1.7 0.9 4.6
[1] 4zy5.a 1.6 1.5 1.6 0.8 1.6 1.5 1.3 1.4 1.0 1.7 5.3 2.2 0.7
0
1.0 1.6 1.0 1.7 1.5 1.1 1.3 0.8 4.4
[1] 4zy6.a 2.2 1.5 1.4 1.2 1.7 1.8 1.6 1.6 1.1 2.2 5.3 2.1 1.1 1.0
0
1.5 1.1 1.8 1.8 1.4 2.1 0.8 4.9
[1] 5dew.a 1.9 0.8 0.8 1.7 1.1 1.4 1.2 0.9 1.7 2.2 5.3 1.7 1.7 1.6 1.5
0
0.9 1.0 1.8 2.1 2.2 1.4 4.3
[1] 5dey.a 1.5 1.0 1.1 1.2 1.1 1.2 1.0 0.9 1.2 1.9 5.1 1.7 1.2 1.0 1.1 0.9
0
1.1 1.4 1.5 1.6 0.9 4.3
[1] 5dfp.a 1.3 0.8 1.2 1.8 0.7 0.9 0.8 0.4 1.8 2.1 5.0 1.8 1.9 1.7 1.8 1.0 1.1
0
1.6 2.0 1.8 1.7 3.9
[1] 5ime.a 1.7 1.6 1.7 1.4 1.4 1.3 1.5 1.4 1.5 1.9 2.9 2.5 1.6 1.5 1.8 1.8 1.4 1.6
0
1.6 1.4 1.6 4.3
[1] 5kbq.a 1.8 1.9 2.0 1.1 1.8 1.6 1.5 1.8 0.9 1.9 5.0 2.9 1.1 1.1 1.4 2.1 1.5 2.0 1.6
0
1.4 1.2 4.8
[1] 5kbr.a 1.1 2.0 2.3 1.7 1.7 1.3 1.4 1.6 1.7 1.6 3.0 2.4 1.7 1.3 2.1 2.2 1.6 1.8 1.4 1.4
0
1.8 3.7
[1] 6b16.a 1.9 1.4 1.4 0.9 1.5 1.6 1.3 1.4 0.9 2.0 5.3 2.0 0.9 0.8 0.8 1.4 0.9 1.7 1.6 1.2 1.8
0
4.7
[2] 4zji.c 3.4 4.2 4.4 4.8 4.0 3.8 4.0 3.9 4.8 3.7 6.2 3.4 4.6 4.4 4.9 4.3 4.3 3.9 4.3 4.8 3.7 4.7
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.6 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
2hy8.1
3fxz.a
3fy0.a
3q4z.a
3q52.a
3q53.a
4daw.a
4eqc.a
4o0r.a
4o0t.a
4p90.a
4p90.b
4zy4.a
4zy5.a
4zy6.a
5dew.a
5dey.a
5dfp.a
5ime.a
5kbq.a
5kbr.a
6b16.a
4zji.c
[1] 2hy8.1
0
1.6 1.9 2.0 1.5 1.1 1.2 1.4 2.0 1.8 4.3 2.3 1.9 1.8 2.2 1.9 1.7 1.4 2.0 1.8 1.3 2.0 4.0
[1] 3fxz.a 1.6
0
0.7 1.8 0.9 1.2 0.9 0.9 1.6 2.1 4.5 2.1 1.7 1.7 1.7 1.1 1.2 1.1 1.8 1.9 2.0 1.6 4.4
[1] 3fy0.a 1.9 0.7
0
1.9 1.2 1.6 1.3 1.3 1.7 2.2 4.6 2.2 1.8 1.8 1.6 1.1 1.4 1.4 2.1 2.1 2.4 1.6 4.7
[1] 3q4z.a 2.0 1.8 1.9
0
2.1 1.8 1.9 1.8 1.3 2.2 3.0 2.6 1.3 1.4 1.5 1.9 1.6 2.0 1.8 1.5 2.1 1.4 5.0
[1] 3q52.a 1.5 0.9 1.2 2.1
0
1.0 0.9 1.0 1.7 2.2 4.4 2.4 1.8 1.8 1.9 1.5 1.6 1.0 2.0 2.1 2.2 1.7 4.5
[1] 3q53.a 1.1 1.2 1.6 1.8 1.0
0
0.9 1.0 1.6 1.9 4.2 2.2 1.8 1.7 1.9 1.6 1.5 1.0 1.8 1.8 1.6 1.7 4.3
[1] 4daw.a 1.2 0.9 1.3 1.9 0.9 0.9
0
0.8 1.5 2.1 4.4 2.4 1.5 1.6 1.8 1.6 1.4 1.0 1.9 1.8 1.8 1.6 4.3
[1] 4eqc.a 1.4 0.9 1.3 1.8 1.0 1.0 0.8
0
1.7 2.1 4.4 2.0 1.8 1.7 1.8 1.2 1.2 0.7 1.8 1.9 1.8 1.6 4.3
[1] 4o0r.a 2.0 1.6 1.7 1.3 1.7 1.6 1.5 1.7
0
2.0 4.3 2.6 1.0 1.1 1.3 1.8 1.4 1.9 1.9 1.2 1.8 1.0 5.1
[1] 4o0t.a 1.8 2.1 2.2 2.2 2.2 1.9 2.1 2.1 2.0
0
4.4 3.0 2.0 2.0 2.3 2.2 2.1 2.2 2.2 2.1 1.9 2.1 4.2
[1] 4p90.a 4.3 4.5 4.6 3.0 4.4 4.2 4.4 4.4 4.3 4.4
0
5.4 4.5 4.6 4.6 4.6 4.5 4.4 3.0 4.2 2.7 4.6 6.0
[1] 4p90.b 2.3 2.1 2.2 2.6 2.4 2.2 2.4 2.0 2.6 3.0 5.4
0
2.5 2.5 2.3 1.9 2.0 2.0 2.8 2.9 2.6 2.2 3.6
[1] 4zy4.a 1.9 1.7 1.8 1.3 1.8 1.8 1.5 1.8 1.0 2.0 4.5 2.5
0
0.8 1.2 1.8 1.4 2.0 1.9 1.4 1.9 1.0 4.9
[1] 4zy5.a 1.8 1.7 1.8 1.4 1.8 1.7 1.6 1.7 1.1 2.0 4.6 2.5 0.8
0
1.2 1.8 1.5 1.9 1.8 1.5 1.8 1.1 4.8
[1] 4zy6.a 2.2 1.7 1.6 1.5 1.9 1.9 1.8 1.8 1.3 2.3 4.6 2.3 1.2 1.2
0
1.6 1.4 1.9 2.1 1.6 2.2 0.9 5.1
[1] 5dew.a 1.9 1.1 1.1 1.9 1.5 1.6 1.6 1.2 1.8 2.2 4.6 1.9 1.8 1.8 1.6
0
1.0 1.3 2.1 2.2 2.3 1.5 4.6
[1] 5dey.a 1.7 1.2 1.4 1.6 1.6 1.5 1.4 1.2 1.4 2.1 4.5 2.0 1.4 1.5 1.4 1.0
0
1.3 1.9 1.7 1.8 1.3 4.6
[1] 5dfp.a 1.4 1.1 1.4 2.0 1.0 1.0 1.0 0.7 1.9 2.2 4.4 2.0 2.0 1.9 1.9 1.3 1.3
0
1.9 2.0 1.9 1.8 4.4
[1] 5ime.a 2.0 1.8 2.1 1.8 2.0 1.8 1.9 1.8 1.9 2.2 3.0 2.8 1.9 1.8 2.1 2.1 1.9 1.9
0
1.9 1.9 2.0 4.6
[1] 5kbq.a 1.8 1.9 2.1 1.5 2.1 1.8 1.8 1.9 1.2 2.1 4.2 2.9 1.4 1.5 1.6 2.2 1.7 2.0 1.9
0
1.5 1.6 5.1
[1] 5kbr.a 1.3 2.0 2.4 2.1 2.2 1.6 1.8 1.8 1.8 1.9 2.7 2.6 1.9 1.8 2.2 2.3 1.8 1.9 1.9 1.5
0
2.0 4.1
[1] 6b16.a 2.0 1.6 1.6 1.4 1.7 1.7 1.6 1.6 1.0 2.1 4.6 2.2 1.0 1.1 0.9 1.5 1.3 1.8 2.0 1.6 2.0
0
5.0
[2] 4zji.c 4.0 4.4 4.7 5.0 4.5 4.3 4.3 4.3 5.1 4.2 6.0 3.6 4.9 4.8 5.1 4.6 4.6 4.4 4.6 5.1 4.1 5.0
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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