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CATK_HUMAN_114_329

Cathepsin K [Peptidase C1 family]

Composition of the binding site

Protein chains monomer
A1 (CATK_HUMAN):77, 78, 83:97, 132:140, 172:175, 177:182, 184, 229, 248, 251, 252, 257, 272:277, 298, 302, 32377, 78, 83:97, 132:140, 172:175, 177:182, 184, 229, 248, 251, 252, 257, 272:277, 298, 302, 323

Full PDB list

1atk, 1au0, 1au2, 1au3, 1au4, 1ayu, 1ayv, 1ayw, 1bgo, 1by8, 1mem, 1nl6, 1nlj, 1q6k, 1snk, 1tu6, 1u9v, 1u9w, 1u9x, 1vsn, 1yk7, 1yk8, 1yt7, 2ato, 2aux, 2auz, 2bdl, 2f7d, 2ftd, 2r6n, 3c9e, 3h7d, 3kw9, 3kwb, 3kwz, 3kx1, 3o0u, 3o1g, 3ovz, 4dmx, 4dmy, 4n79, 4n8w, 4x6h, 4x6i, 4x6j, 4yv8, 4yva, 5j94, 5ja7, 5jh3, 5tdi, 5tun, 7pck (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
N
1
3
2
Q
1
3
3
G
1
3
4
Q
1
3
5
C
1
3
6
G
1
3
7
S
1
3
8
C
1
3
9
W
1
4
0
S
1
7
2
E
1
7
3
N
1
7
4
D
1
7
5
C
1
7
7
G
1
7
8
G
1
7
9
G
1
8
0
Y
1
8
1
M
1
8
2
N
1
8
4
E
2
2
9
A
2
4
8
A
2
5
1
S
2
5
2
Q
2
5
7
D
2
7
2
L
2
7
4
N
2
7
5
H
2
7
6
A
2
7
7
W
2
9
8
W
3
0
2
L
3
2
3
[1]1au0.a sdk42 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1au2.a pos38 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1au3.a pcm43 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1au4.a inp42 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1ayu.a ina42 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1ayv.a in643 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1ayw.a in340 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1bgo.a i1034 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1mem.a 0d637 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1nl6.a 75052 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1nlj.a 2ca37 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1q6k.a tco17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1snk.a mye27 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1tu6.b fsp32 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1u9v.a ihe27 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1u9w.a ihi25 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1u9x.a ihj34 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1vsn.a nft33 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1yk7.a nbl26 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1yk8.a t2m12 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1yt7.a 3fc41 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2ato.a myq10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2aux.a ct122 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2auz.a ct223 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2bdl.a 4pr39 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2f7d.a noq24 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2ftd.b ili38 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2r6n.a cke31 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3c9e.a e6425 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3kw9.a org,tfa28 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3kwb.x orh29 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3kwz.a kwz27 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3kx1.a kx124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3o0u.a o4726 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3o1g.a o7536 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3ovz.a o9630 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4dmx.a 0lb29 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4dmy.a 0lc30 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4x6h.a 3xt23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4x6i.a 3y123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4x6j.a 3y223 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4yv8.a ag2.ureSVrgl35 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5j94.a none . . . . . . . S . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5tdi.a 7as36 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . .
[2]7pck.a 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
H
7
7
L
7
8
S
8
3
E
8
4
E
8
5
V
8
6
V
8
7
Q
8
8
K
8
9
M
9
0
T
9
1
G
9
2
L
9
3
K
9
4
V
9
5
P
9
6
L
9
7
N
1
3
2
Q
1
3
3
G
1
3
4
Q
1
3
5
C
1
3
6
G
1
3
7
S
1
3
8
C
1
3
9
W
1
4
0
S
1
7
2
E
1
7
3
N
1
7
4
D
1
7
5
C
1
7
7
G
1
7
8
G
1
7
9
G
1
8
0
Y
1
8
1
M
1
8
2
N
1
8
4
E
2
2
9
A
2
4
8
A
2
5
1
S
2
5
2
Q
2
5
7
D
2
7
2
N
2
7
3
L
2
7
4
N
2
7
5
H
2
7
6
A
2
7
7
W
2
9
8
W
3
0
2
L
3
2
3
[1]1au0.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1au2.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1au3.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]1au4.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1ayu.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]1ayv.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]1ayw.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1bgo.a - - - - - - - - - - - - - - - - - . * . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1mem.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]1nl6.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1nlj.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1q6k.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1snk.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . * . . . . . . . . . . . . . . . .
[1]1tu6.b - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1u9v.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]1u9w.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]1u9x.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1vsn.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . A . . . . . . .
[1]1yk7.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1yk8.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1yt7.a - - - - - - - - - - - - - - - - - . . . * . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2ato.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2aux.a - - - - - - - - - - - - - - - - - . . . . . . . * . . * . * . . . . * . . . . . . . . . . . . . . . .
[1]2auz.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2bdl.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]2f7d.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2ftd.b - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2r6n.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3c9e.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3kw9.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3kwb.x - - - - - - - - - - - - - - - - - . . . . . . . * . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]3kwz.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3kx1.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3o0u.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]3o1g.a - - - - - - - - - - - - - - - - - . . . . . . . * . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]3ovz.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4dmx.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4dmy.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4x6h.a - - - - - - - - - - - - - - - - - . . . * . . . * . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]4x6i.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]4x6j.a - - - - - - - - - - - - - - - - - . . . . . . . * . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]4yv8.a - - - - - - - - - - - - - - - - - . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5j94.a - - - - - - - - - - - - - - - - - . . . . . . . S . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5tdi.a - - - - - - - - - - - - - - - - - . . . . . . . * . . * . . . . . . . . . . . . . . . . . . . . . . .
[2]7pck.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
1au0.a:sdk
1au2.a:pos
1au3.a:pcm
1au4.a:inp
1ayu.a:ina
1ayv.a:in6
1ayw.a:in3
1bgo.a:i10
1mem.a:0d6
1nl6.a:750
1nlj.a:2ca
1q6k.a:tco
1snk.a:mye
1tu6.b:fsp
1u9v.a:ihe
1u9w.a:ihi
1u9x.a:ihj
1vsn.a:nft
1yk7.a:nbl
1yk8.a:t2m
1yt7.a:3fc
2ato.a:myq
2aux.a:ct1
2auz.a:ct2
2bdl.a:4pr
2f7d.a:noq
2ftd.b:ili
2r6n.a:cke
3c9e.a:e64
3kw9.a:org,tfa
3kwb.x:orh
3kwz.a:kwz
3kx1.a:kx1
3o0u.a:o47
3o1g.a:o75
3ovz.a:o96
4dmx.a:0lb
4dmy.a:0lc
4x6h.a:3xt
4x6i.a:3y1
4x6j.a:3y2
4yv8.a:ag2.ureSVrgl
5j94.a is apo
5tdi.a:7as
7pck.a is apo
[1] 1au0.a
0.6
1.0 0.8 0.7 0.3 0.5 0.8 0.4 0.6 0.7 0.8 0.3 0.7 0.8 0.3 0.6 0.7 0.5 0.5 0.7 1.1 0.3 0.7 0.7 0.7 0.3 0.6 0.8 0.4 0.5 0.6 0.6 0.5 0.3 1.0 0.8 0.3 0.5 0.7 0.4 0.4 0.4 - 0.6 -
[1] 1au2.a 0.8
0.7
0.9 0.8 0.8 0.6 0.5 0.9 0.8 1.3 1.1 0.4 0.7 0.8 0.6 0.6 0.6 0.7 0.7 0.7 0.6 0.4 0.6 0.7 0.8 0.7 0.5 0.8 0.4 0.8 0.7 0.6 0.5 0.6 0.8 0.8 0.6 0.9 0.7 0.2 0.7 0.7 - 0.7 -
[1] 1au3.a 0.8 0.7
0.4
0.7 0.6 0.7 0.6 0.8 0.6 0.6 0.9 0.3 0.9 0.5 0.6 0.6 0.6 1.5 0.7 0.6 1.1 0.3 0.6 0.6 0.7 0.7 0.7 0.8 0.7 0.6 0.7 0.7 0.3 0.4 1.1 0.8 0.9 0.5 0.6 0.3 0.9 0.6 - 0.7 -
[1] 1au4.a 0.7 0.9 0.5
0.5
0.5 0.6 0.7 0.8 0.5 0.7 0.6 0.4 0.7 0.7 0.6 0.6 0.8 1.0 0.7 0.6 1.0 0.3 0.6 0.6 0.7 1.0 0.7 0.9 0.7 0.6 0.6 0.6 0.3 0.5 2.0 0.5 0.7 0.7 0.8 0.8 0.9 0.6 - 0.7 -
[1] 1ayu.a 0.9 0.8 1.4 1.8
0.4
0.9 0.8 1.2 0.9 1.8 1.4 0.3 1.7 0.9 0.6 0.6 0.7 1.9 0.7 0.6 1.8 0.3 0.6 0.6 0.8 1.1 1.4 1.2 0.8 0.6 0.7 0.6 0.4 0.7 1.5 0.8 1.4 1.3 0.9 0.7 1.1 0.6 - 1.7 -
[1] 1ayv.a 0.8 1.0 1.7 2.2 0.6
0.6
0.9 1.5 0.7 1.8 1.6 0.4 1.7 0.6 0.6 0.8 0.6 2.0 0.9 1.1 2.1 0.3 0.8 0.8 0.7 0.8 1.8 0.9 0.9 0.7 0.8 0.9 0.5 0.6 1.4 0.9 1.5 1.6 1.1 0.8 1.1 0.6 - 1.7 -
[1] 1ayw.a 1.0 0.9 0.7 0.9 0.5 0.7
0.7
0.8 0.8 1.1 0.9 0.4 0.6 0.8 0.7 0.7 0.7 0.6 0.9 0.8 0.9 0.3 0.7 0.7 0.8 0.7 0.6 0.8 0.7 0.9 0.7 0.9 0.6 0.6 1.2 0.9 0.7 0.9 0.8 0.6 0.9 0.6 - 0.7 -
[1] 1bgo.a 0.7 1.5 0.7 0.9 0.6 0.5 0.9
0.4
0.5 0.7 0.6 0.4 0.6 1.2 0.6 0.6 0.6 0.6 0.6 0.6 0.7 0.3 0.6 0.6 0.8 0.6 0.6 0.6 0.6 0.6 0.7 0.6 0.4 0.4 0.6 0.8 0.6 0.6 0.6 0.2 0.6 0.6 - 0.6 -
[1] 1mem.a 1.3 0.8 1.1 1.4 0.6 0.6 0.7 1.0
0.4
1.8 1.2 0.3 1.3 0.9 0.8 0.6 0.7 1.7 0.8 0.6 2.1 0.3 0.6 0.7 0.7 0.7 1.0 1.0 1.0 0.8 0.7 0.6 0.6 0.4 1.1 0.7 1.1 1.1 0.8 0.5 1.1 0.6 - 1.5 -
[1] 1nl6.a 1.2 0.8 1.4 0.7 0.6 0.8 1.1 0.9 0.7
0.5
0.9 0.3 0.6 1.0 0.8 0.8 0.9 0.6 0.8 0.6 1.0 0.3 0.6 0.7 1.1 0.9 0.5 0.9 0.8 0.9 1.0 0.6 0.6 0.5 1.2 0.7 0.9 0.9 0.8 0.7 0.8 0.8 - 0.7 -
[1] 1nlj.a 1.0 0.5 0.4 0.3 0.3 0.4 0.7 0.4 0.3 0.6
0.4
0.1 0.6 0.5 0.7 0.6 0.6 0.5 0.7 0.6 0.6 0.1 0.6 0.6 0.5 0.6 0.3 0.7 0.3 0.6 0.6 0.6 0.4 0.3 0.9 0.6 0.3 0.3 0.6 0 0.6 0.5 - 0.3 -
[1] 1q6k.a 0.9 0.9 0.8 0.6 0.5 0.8 0.8 1.0 0.8 0.7 0.8
0.1
0.4 0.7 0.4 0.6 0.6 0.5 0.8 0.6 0.6 0.1 0.6 0.6 0.5 0.5 0.8 0.6 0.6 0.4 0.5 0.5 0.5 0.4 0.7 0.9 0.4 0.4 0.4 0.4 0.6 0.5 - 0.5 -
[1] 1snk.a 1.4 1.1 1.1 0.8 0.6 1.5 1.2 1.2 0.8 1.2 1.1 0.2
0.4
1.7 1.0 1.0 1.5 0.6 1.5 0.6 1.1 0.1 0.7 0.9 1.0 1.3 1.2 1.3 0.7 0.8 1.3 0.4 1.0 1.0 2.1 0.8 1.0 1.0 0.9 1.3 1.1 0.7 - 1.0 -
[1] 1tu6.b 0.8 0.6 0.7 0.5 0.6 0.6 0.4 0.7 0.6 1.4 1.0 0.3 0.7
0.4
0.6 0.6 0.6 0.7 0.8 0.7 0.5 0.3 0.6 0.6 0.8 0.6 0.6 0.8 0.5 0.6 0.6 0.6 0.3 0.4 0.8 0.5 0.6 0.5 0.7 0.3 0.7 0.6 - 0.5 -
[1] 1u9v.a 0.9 0.8 1.0 1.6 0.4 0.5 0.5 1.2 0.5 1.7 1.2 0.2 1.3 0.5
0.4
0.6 0.6 1.7 0.7 0.6 1.4 0.1 0.6 0.6 0.6 0.7 1.2 0.8 0.7 0.4 0.7 0.6 0.3 0.4 1.1 1.0 1.0 1.2 0.8 0.7 0.8 0.6 - 1.3 -
[1] 1u9w.a 0.8 0.8 1.2 1.3 0.5 0.8 0.7 1.5 0.7 1.3 1.2 0.1 1.4 0.5 0.4
0.6
0.5 1.6 0.6 0.6 1.4 0.1 0.6 0.6 0.7 0.6 1.4 0.7 0.7 0.4 0.7 0.4 0.4 0.4 1.1 0.9 0.8 0.9 0.8 0.9 0.8 0.6 - 1.1 -
[1] 1u9x.a 0.8 0.9 0.6 0.5 0.5 0.7 0.6 1.0 0.6 0.9 1.0 0.1 0.4 0.6 0.4 0.6
0.6
0.5 0.8 0.6 0.3 0.1 0.6 0.6 0.7 0.5 0.8 0.6 0.6 0.4 0.7 0.4 0.4 0.4 0.8 0.9 0.4 0.5 0.5 0.5 0.7 0.5 - 0.3 -
[1] 1vsn.a 1.1 0.9 0.6 0.6 0.4 0.5 0.5 0.8 0.6 1.0 0.9 0.2 0.6 1.0 0.6 0.6 0.6
0.6
0.8 0.6 0.6 0.1 0.6 0.6 0.7 0.9 0.6 0.9 0.8 0.6 0.7 0.6 0.6 0.4 0.9 0.8 0.4 0.6 0.7 0.8 1.0 0.7 - 0.5 -
[1] 1yk7.a 0.7 0.8 0.8 0.6 0.8 1.0 0.6 0.9 0.6 0.8 0.8 0.1 0.4 0.5 0.4 0.6 0.4 0.4
0.4
0.6 0.8 0.1 0.6 0.6 1.0 0.5 0.9 0.7 0.4 0.5 0.5 0.4 0.4 0.4 1.0 0.7 0.4 0.5 0.5 0.5 0.6 0.4 - 0.3 -
[1] 1yk8.a 0.9 1.0 0.8 0.5 0.4 0.7 0.8 0.8 0.5 1.1 0.9 0.1 0.5 0.6 0.5 0.6 0.4 0.7 0.6
0.6
0.3 0.2 0.6 0.6 0.6 0.4 0.9 0.4 0.6 0.4 0.4 0.5 0.1 0.4 0.6 0.8 0.3 0.3 0.4 0.2 0.5 0.4 - 0.4 -
[1] 1yt7.a 1.0 0.9 0.9 0.6 1.8 2.1 0.7 1.1 0.8 2.1 0.9 0.4 0.6 0.6 0.6 0.6 0.6 0.6 0.8 0.8
0.4
0.3 0.6 0.6 1.3 0.7 1.0 0.8 0.8 0.7 0.7 0.8 0.5 0.6 1.0 0.6 0.6 0.8 0.8 0.8 0.9 0.6 - 0.6 -
[1] 2ato.a 0.8 1.3 0.7 0.8 0.9 1.0 0.8 0.7 0.4 1.0 0.8 0.1 0.4 0.7 0.4 0.4 0.4 0.4 0.4 0.6 0.6
0.1
0.6 0.6 0.9 0.5 0.8 0.6 0.6 0.5 0.4 0.5 0.2 0.3 0.9 0.7 0.3 0.5 0.3 0.2 0.5 0.3 - 0.4 -
[1] 2aux.a 1.2 1.1 1.6 1.9 0.6 0.9 0.9 1.7 0.7 2.4 1.7 0.2 1.5 1.1 0.4 0.8 0.8 1.7 1.1 0.8 1.7 0.1
0.8
0.8 0.6 1.3 1.9 1.3 0.7 0.8 0.7 0.8 0.6 0.7 2.1 0.8 1.1 1.3 1.2 1.5 1.3 0.7 - 1.8 -
[1] 2auz.a 0.7 0.7 0.6 0.6 0.5 0.5 0.7 0.8 0.6 0.7 0.7 0.2 0.4 0.7 0.4 0.6 0.6 0.5 0.6 0.6 0.7 0.1 0.8
0.6
0.5 0.4 0.7 0.7 0.6 0.4 0.7 0.6 0.4 0.4 0.8 0.9 0.4 0.5 0.6 0.2 0.7 0.4 - 0.4 -
[1] 2bdl.a 0.8 0.5 1.2 1.5 0.4 0.3 0.5 0.8 0.6 1.3 1.0 0.3 1.7 0.3 0.6 0.6 0.6 1.9 0.7 0.6 1.4 0.3 0.6 0.6
0.6
0.8 1.2 0.9 0.9 0.7 0.6 0.6 0.3 0.6 1.3 0.5 1.5 1.1 0.8 0.6 0.8 0.6 - 1.7 -
[1] 2f7d.a 0.6 0.8 0.6 0.6 0.4 0.5 1.0 0.7 0.6 1.0 0.8 0.1 0.6 0.7 0.4 0.6 0.6 0.4 0.7 0.6 0.6 0.1 0.6 0.6 0.6
0.4
0.6 0.6 0.4 0.4 0.7 0.4 0.4 0.4 0.4 0.8 0.4 0.4 0.6 0.2 0.7 0.4 - 0.4 -
[1] 2ftd.b 1.2 0.8 0.8 1.0 0.4 0.7 0.7 0.6 0.6 0.9 0.7 0.4 0.6 0.8 0.9 1.0 0.9 0.6 1.0 1.1 0.5 0.3 0.9 0.9 0.9 0.6
0.4
0.8 0.7 0.9 0.7 0.8 0.9 0.6 0.9 0.5 0.6 0.7 0.8 0.5 0.7 0.6 - 0.7 -
[1] 2r6n.a 0.6 0.7 0.4 0.5 0.8 0.7 0.7 0.6 0.5 0.9 0.7 0.1 0.6 0.6 0.4 0.6 0.6 0.4 0.7 0.6 0.5 0.1 0.6 0.6 0.8 0.4 0.5
0.4
0.5 0.4 0.7 0.4 0.3 0.4 0.4 0.7 0.4 0.4 0.6 0 0.7 0.4 - 0.4 -
[1] 3c9e.a 0.6 0.8 0.8 0.6 0.9 0.8 0.9 0.7 0.6 0.9 0.8 0.1 0.4 0.9 0.4 0.8 0.4 0.4 0.6 0.8 0.6 0.1 0.6 0.6 1.0 0.6 0.9 0.7
0.4
0.4 0.5 0.5 0.6 0.4 1.3 0.7 0.4 0.8 0.5 0.7 0.6 0.4 - 0.5 -
[1] 3kw9.a 0.9 1.0 0.7 0.6 0.7 1.0 0.9 1.3 0.5 0.8 0.8 0.1 0.4 1.0 0.4 0.6 0.6 0.5 0.8 0.6 0.8 0.2 0.6 0.6 0.9 0.5 0.9 0.6 0.7
0.4
0.6 0.4 0.3 0.3 1.0 1.0 0.3 0.5 0.8 0.9 0.8 0.3 - 0.4 -
[1] 3kwb.x 0.9 1.2 1.5 2.2 0.6 0.6 1.0 1.6 0.4 1.9 1.5 0.1 1.7 0.5 0.4 0.6 0.5 2.0 0.7 0.7 2.0 0.1 0.6 0.6 0.5 0.6 1.6 1.0 0.8 0.4
0.4
0.4 0.4 0.4 1.4 0.6 1.2 1.4 0.8 0.5 1.1 0.4 - 1.7 -
[1] 3kwz.a 1.4 1.3 1.0 0.6 1.1 1.1 1.1 1.2 0.7 0.9 0.9 0.1 0.6 1.3 0.6 0.7 0.8 0.6 0.9 0.6 1.2 0.1 0.6 0.7 1.0 0.7 0.9 0.7 0.6 0.7 0.5
0.4
0.6 0.4 1.1 0.8 0.3 0.5 0.5 0.8 1.1 0.5 - 0.5 -
[1] 3kx1.a 0.9 0.9 0.4 0.5 0.5 0.7 0.7 0.7 0.7 1.0 0.7 0.1 0.4 0.6 0.4 0.6 0.6 0.6 0.6 0.6 0.5 0.1 0.6 0.6 0.6 0.5 0.8 0.6 0.6 0.4 0.4 0.4
0.3
0.4 0.8 0.8 0.4 0.6 0.4 0.5 0.8 0.4 - 0.5 -
[1] 3o0u.a 1.2 1.3 1.9 2.2 0.9 0.8 0.8 2.0 0.7 2.3 2.1 0.1 2.5 0.8 0.4 0.6 0.7 2.2 1.1 0.6 2.7 0.1 0.7 0.7 0.7 1.0 2.2 1.2 1.7 0.5 0.6 0.4 0.4
0.4
1.4 0.8 1.5 1.5 1.1 0.9 1.5 0.7 - 1.9 -
[1] 3o1g.a 1.5 1.2 0.9 0.5 0.6 0.8 0.7 1.0 0.7 1.4 1.0 0.1 0.6 0.8 0.5 0.6 0.6 0.5 0.9 0.6 0.8 0.1 0.6 0.7 0.9 0.6 0.7 0.7 0.6 0.6 1.1 0.6 0.5 0.4
0.4
1.0 0.4 0.3 0.7 0.3 0.7 0.5 - 0.4 -
[1] 3ovz.a 1.1 0.5 0.6 0.6 0.5 0.9 0.6 1.2 0.4 0.8 0.9 0.1 0.6 1.0 0.9 0.7 1.1 0.5 1.0 0.6 0.5 0.1 0.6 0.6 0.6 1.2 0.7 1.4 0.8 0.8 0.7 0.6 0.6 0.5 1.7
0.4
0.5 0.8 1.0 0.9 0.9 0.5 - 0.5 -
[1] 4dmx.a 0.9 1.2 0.7 0.6 0.5 0.7 0.8 0.7 0.5 0.9 0.4 0.2 0.6 0.5 0.4 0.6 0.6 0.6 0.9 0.7 0.6 0.1 0.6 0.6 0.7 0.7 0.7 0.9 0.9 0.5 0.6 0.7 0.4 0.4 0.9 0.7
0.4
0.6 0.7 0.3 0.8 0.6 - 0.4 -
[1] 4dmy.a 1.1 1.2 0.9 0.6 0.9 0.9 0.9 0.8 0.4 1.6 0.9 0.3 0.7 0.4 0.6 0.6 0.6 0.8 0.7 0.6 0.6 0.3 0.6 0.6 1.2 0.6 0.7 0.6 1.1 0.7 0.7 0.7 0.4 0.4 0.6 0.8 0.6
0.4
0.7 0.1 0.9 0.7 - 0.7 -
[1] 4x6h.a 0.9 0.7 0.8 1.4 1.2 0.9 0.7 0.9 0.6 1.6 0.7 0.1 1.6 0.8 0.4 0.6 0.4 1.8 0.5 0.6 1.8 0.1 0.6 0.6 1.0 0.4 1.2 0.5 0.5 0.4 0.4 0.5 0.4 0.4 0.9 0.8 1.3 0.5
0.4
0.2 0.4 0.4 - 1.5 -
[1] 4x6i.a 1.0 1.1 0.9 1.6 0.8 0.7 0.9 1.2 0.6 2.1 1.0 0.3 1.7 1.1 0.6 0.7 0.6 1.9 0.7 0.6 1.7 0.3 0.6 0.6 0.6 0.5 1.4 0.7 0.7 0.6 0.5 0.7 0.5 0.6 0.7 1.0 1.4 0.7 0.5
0
0.6 0.5 - 1.7 -
[1] 4x6j.a 0.6 0.7 0.5 0.7 0.7 0.7 0.7 0.8 0.5 1.9 0.5 0.1 0.4 0.4 0.4 0.6 0.6 0.4 0.7 0.6 0.5 0.1 0.6 0.6 0.8 0.4 0.6 0.4 0.6 0.5 0.7 0.5 0.3 0.4 0.5 0.9 0.4 0.4 0.6 0
0.6
0.4 - 0.4 -
[1] 4yv8.a 0.8 1.3 0.6 0.7 0.4 0.6 0.7 0.9 0.7 1.2 0.9 0.3 0.7 0.8 0.4 0.6 0.6 0.6 0.8 0.7 0.7 0.1 0.7 0.7 0.6 0.6 0.9 0.9 1.0 0.6 0.7 0.8 0.3 0.4 0.7 1.0 0.4 0.5 0.7 0.5 0.7
0.4
- 0.6 -
[1] 5j94.a 1.1 1.1 0.4 0.3 0.5 0.8 0.6 0.5 0.4 0.9 0.8 0.1 0.4 0.6 0.4 0.4 0.4 0.7 0.7 0.5 0.8 0 0.5 0.4 0.8 0.4 0.8 0.8 0.4 0.4 0.5 0.4 0.3 0.1 0.6 0.7 0.1 0.3 0.5 0.5 0.8 0.2
-
0.2 -
[1] 5tdi.a 0.8 0.8 0.7 0.8 0.5 0.7 0.6 0.6 0.5 2.6 0.5 0.2 0.6 0.7 0.4 0.6 0.6 0.6 0.7 0.6 0.6 0.1 0.6 0.6 0.7 0.6 0.5 0.8 0.8 0.6 0.7 0.5 0.5 0.4 0.7 0.6 0.4 0.4 0.6 0.2 0.6 0.6 -
0.4
-
[2] 7pck.a 23 18 21 21 21 24 19 18 18 21 19 9.7 13 16 11 12 14 14 12 9.6 18 8.0 13 12 17 15 20 14 14 14 14 15 11 13 14 14 15 14 13 11 13 11 - 14
-
[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
1au0.a
1au2.a
1au3.a
1au4.a
1ayu.a
1ayv.a
1ayw.a
1bgo.a
1mem.a
1nl6.a
1nlj.a
1q6k.a
1snk.a
1tu6.b
1u9v.a
1u9w.a
1u9x.a
1vsn.a
1yk7.a
1yk8.a
1yt7.a
2ato.a
2aux.a
2auz.a
2bdl.a
2f7d.a
2ftd.b
2r6n.a
3c9e.a
3kw9.a
3kwb.x
3kwz.a
3kx1.a
3o0u.a
3o1g.a
3ovz.a
4dmx.a
4dmy.a
4x6h.a
4x6i.a
4x6j.a
4yv8.a
5j94.a
5tdi.a
7pck.a
[1] 1au0.a
0
.03 .04 .05 .05 .07 .03 .04 .07 .05 .03 .03 .07 .04 .07 .06 .05 .04 .04 .03 .09 .04 .09 .03 .06 .03 .05 .04 .06 .04 .07 .05 .03 .07 .07 .04 .03 .06 .08 .08 .06 .03 .04 .06 .71
[1] 1au2.a .03
0
.04 .05 .07 .08 .03 .04 .07 .04 .03 .04 .08 .04 .07 .07 .05 .05 .05 .03 .10 .05 .10 .03 .07 .04 .05 .04 .06 .03 .08 .05 .03 .09 .06 .05 .04 .07 .08 .08 .06 .03 .05 .07 .71
[1] 1au3.a .04 .04
0
.03 .05 .04 .03 .04 .04 .04 .03 .04 .07 .05 .04 .03 .04 .04 .04 .03 .09 .05 .08 .04 .04 .05 .06 .04 .06 .04 .05 .05 .03 .06 .07 .05 .04 .06 .05 .06 .06 .04 .05 .07 .72
[1] 1au4.a .05 .05 .03
0
.05 .06 .04 .05 .06 .04 .04 .05 .06 .05 .05 .05 .06 .04 .05 .05 .08 .06 .06 .05 .05 .05 .06 .06 .04 .04 .06 .05 .04 .08 .08 .03 .04 .07 .07 .08 .07 .04 .06 .07 .72
[1] 1ayu.a .05 .07 .05 .05
0
.04 .06 .07 .05 .06 .06 .06 .09 .08 .05 .04 .07 .05 .05 .06 .10 .06 .07 .06 .04 .05 .08 .06 .06 .05 .04 .05 .06 .06 .10 .06 .06 .08 .04 .05 .08 .06 .06 .09 .74
[1] 1ayv.a .07 .08 .04 .06 .04
0
.06 .08 .05 .07 .06 .07 .10 .08 .05 .04 .07 .06 .06 .06 .10 .07 .07 .06 .03 .06 .07 .07 .08 .08 .04 .07 .05 .04 .09 .08 .06 .08 .04 .05 .09 .07 .07 .09 .74
[1] 1ayw.a .03 .03 .03 .04 .06 .06
0
.04 .06 .04 .02 .03 .07 .03 .06 .06 .04 .03 .04 .03 .07 .04 .09 .03 .06 .03 .03 .04 .04 .03 .06 .04 .03 .08 .06 .04 .03 .06 .07 .07 .05 .03 .05 .06 .71
[1] 1bgo.a .04 .04 .04 .05 .07 .08 .04
0
.07 .05 .03 .05 .09 .04 .07 .07 .05 .05 .06 .04 .09 .05 .11 .05 .06 .03 .05 .03 .06 .04 .07 .05 .04 .09 .07 .06 .04 .06 .08 .07 .05 .04 .05 .07 .71
[1] 1mem.a .07 .07 .04 .06 .05 .05 .06 .07
0
.05 .06 .06 .08 .07 .05 .04 .06 .06 .07 .07 .11 .06 .07 .06 .05 .07 .07 .07 .08 .07 .04 .06 .07 .06 .08 .07 .05 .08 .06 .06 .08 .07 .07 .09 .74
[1] 1nl6.a .05 .04 .04 .04 .06 .07 .04 .05 .05
0
.03 .03 .05 .05 .05 .05 .04 .03 .04 .04 .08 .04 .08 .03 .06 .04 .04 .04 .04 .03 .06 .03 .04 .08 .05 .03 .03 .06 .08 .08 .05 .04 .05 .07 .72
[1] 1nlj.a .03 .03 .03 .04 .06 .06 .02 .03 .06 .03
0
.03 .07 .03 .06 .06 .04 .04 .04 .03 .08 .05 .09 .03 .05 .03 .03 .03 .05 .04 .06 .05 .02 .07 .06 .04 .03 .05 .07 .07 .04 .03 .05 .06 .69
[1] 1q6k.a .03 .04 .04 .05 .06 .07 .03 .05 .06 .03 .03
0
.06 .04 .06 .04 .02 .03 .03 .02 .09 .03 .07 .02 .06 .03 .05 .03 .05 .04 .06 .03 .02 .06 .04 .04 .02 .04 .07 .07 .05 .03 .03 .06 .71
[1] 1snk.a .07 .08 .07 .06 .09 .10 .07 .09 .08 .05 .07 .06
0
.06 .07 .06 .05 .06 .07 .08 .09 .08 .06 .07 .09 .07 .08 .08 .07 .08 .09 .07 .07 .10 .05 .04 .06 .07 .10 .10 .08 .07 .08 .08 .74
[1] 1tu6.b .04 .04 .05 .05 .08 .08 .03 .04 .07 .05 .03 .04 .06
0
.05 .07 .04 .05 .05 .03 .06 .06 .08 .04 .06 .04 .04 .04 .06 .05 .07 .06 .04 .08 .05 .03 .03 .04 .07 .07 .03 .04 .05 .04 .70
[1] 1u9v.a .07 .07 .04 .05 .05 .05 .06 .07 .05 .05 .06 .06 .07 .05
0
.03 .05 .06 .07 .07 .08 .08 .03 .06 .04 .07 .08 .07 .07 .06 .05 .07 .06 .06 .06 .05 .06 .07 .05 .05 .05 .06 .08 .07 .74
[1] 1u9w.a .06 .07 .03 .05 .04 .04 .06 .07 .04 .05 .06 .04 .06 .07 .03
0
.04 .05 .05 .05 .10 .07 .05 .06 .04 .06 .08 .06 .07 .05 .03 .05 .04 .05 .06 .05 .05 .07 .06 .07 .08 .06 .06 .09 .73
[1] 1u9x.a .05 .05 .04 .06 .07 .07 .04 .05 .06 .04 .04 .02 .05 .04 .05 .04
0
.04 .05 .04 .08 .05 .06 .04 .07 .04 .06 .05 .07 .04 .06 .04 .03 .06 .03 .04 .03 .04 .07 .08 .05 .04 .04 .06 .72
[1] 1vsn.a .04 .05 .04 .04 .05 .06 .03 .05 .06 .03 .04 .03 .06 .05 .06 .05 .04
0
.04 .04 .07 .04 .08 .04 .05 .02 .05 .05 .05 .03 .07 .02 .04 .07 .06 .03 .03 .06 .07 .07 .07 .03 .04 .06 .72
[1] 1yk7.a .04 .05 .04 .05 .05 .06 .04 .06 .07 .04 .04 .03 .07 .05 .07 .05 .05 .04
0
.03 .06 .03 .09 .03 .06 .04 .05 .02 .03 .04 .06 .04 .03 .08 .07 .04 .03 .04 .05 .08 .04 .04 .04 .06 .71
[1] 1yk8.a .03 .03 .03 .05 .06 .06 .03 .04 .07 .04 .03 .02 .08 .03 .07 .05 .04 .04 .03
0
.08 .04 .09 .03 .06 .03 .04 .03 .04 .04 .07 .04 .01 .07 .06 .05 .03 .04 .07 .07 .05 .03 .03 .05 .70
[1] 1yt7.a .09 .10 .09 .08 .10 .10 .07 .09 .11 .08 .08 .09 .09 .06 .08 .10 .08 .07 .06 .08
0
.08 .09 .08 .09 .08 .07 .07 .05 .09 .11 .08 .08 .12 .09 .07 .08 .07 .08 .10 .06 .08 .09 .06 .75
[1] 2ato.a .04 .05 .05 .06 .06 .07 .04 .05 .06 .04 .05 .03 .08 .06 .08 .07 .05 .04 .03 .04 .08
0
.10 .03 .07 .04 .05 .03 .04 .04 .07 .04 .04 .07 .08 .06 .03 .04 .06 .06 .05 .04 .03 .06 .73
[1] 2aux.a .09 .10 .08 .06 .07 .07 .09 .11 .07 .08 .09 .07 .06 .08 .03 .05 .06 .08 .09 .09 .09 .10
0
.08 .07 .09 .10 .10 .09 .09 .08 .08 .08 .08 .07 .06 .08 .08 .08 .08 .08 .09 .09 .08 .77
[1] 2auz.a .03 .03 .04 .05 .06 .06 .03 .05 .06 .03 .03 .02 .07 .04 .06 .06 .04 .04 .03 .03 .08 .03 .08
0
.06 .04 .04 .03 .04 .04 .07 .04 .03 .07 .06 .04 .03 .05 .07 .08 .06 .03 .05 .06 .71
[1] 2bdl.a .06 .07 .04 .05 .04 .03 .06 .06 .05 .06 .05 .06 .09 .06 .04 .04 .07 .05 .06 .06 .09 .07 .07 .06
0
.06 .06 .07 .07 .06 .04 .07 .05 .05 .09 .06 .05 .08 .05 .06 .08 .06 .08 .08 .73
[1] 2f7d.a .03 .04 .05 .05 .05 .06 .03 .03 .07 .04 .03 .03 .07 .04 .07 .06 .04 .02 .04 .03 .08 .04 .09 .04 .06
0
.05 .03 .05 .04 .06 .04 .03 .07 .05 .05 .03 .04 .07 .06 .05 .03 .03 .06 .70
[1] 2ftd.b .05 .05 .06 .06 .08 .07 .03 .05 .07 .04 .03 .05 .08 .04 .08 .08 .06 .05 .05 .04 .07 .05 .10 .04 .06 .05
0
.05 .04 .06 .08 .06 .05 .09 .08 .05 .04 .06 .08 .09 .06 .05 .06 .07 .71
[1] 2r6n.a .04 .04 .04 .06 .06 .07 .04 .03 .07 .04 .03 .03 .08 .04 .07 .06 .05 .05 .02 .03 .07 .03 .10 .03 .07 .03 .05
0
.04 .05 .06 .06 .03 .09 .06 .06 .03 .03 .05 .06 .03 .03 .04 .06 .70
[1] 3c9e.a .06 .06 .06 .04 .06 .08 .04 .06 .08 .04 .05 .05 .07 .06 .07 .07 .07 .05 .03 .04 .05 .04 .09 .04 .07 .05 .04 .04
0
.05 .08 .05 .04 .10 .09 .04 .04 .06 .07 .09 .06 .05 .06 .07 .72
[1] 3kw9.a .04 .03 .04 .04 .05 .08 .03 .04 .07 .03 .04 .04 .08 .05 .06 .05 .04 .03 .04 .04 .09 .04 .09 .04 .06 .04 .06 .05 .05
0
.07 .02 .03 .08 .06 .05 .04 .06 .08 .08 .07 .03 .04 .07 .73
[1] 3kwb.x .07 .08 .05 .06 .04 .04 .06 .07 .04 .06 .06 .06 .09 .07 .05 .03 .06 .07 .06 .07 .11 .07 .08 .07 .04 .06 .08 .06 .08 .07
0
.08 .06 .04 .08 .07 .05 .07 .04 .05 .07 .06 .07 .08 .74
[1] 3kwz.a .05 .05 .05 .05 .05 .07 .04 .05 .06 .03 .05 .03 .07 .06 .07 .05 .04 .02 .04 .04 .08 .04 .08 .04 .07 .04 .06 .06 .05 .02 .08
0
.04 .07 .05 .04 .04 .06 .08 .08 .07 .04 .04 .08 .72
[1] 3kx1.a .03 .03 .03 .04 .06 .05 .03 .04 .07 .04 .02 .02 .07 .04 .06 .04 .03 .04 .03 .01 .08 .04 .08 .03 .05 .03 .05 .03 .04 .03 .06 .04
0
.07 .06 .04 .03 .04 .07 .07 .05 .03 .03 .06 .71
[1] 3o0u.a .07 .09 .06 .08 .06 .04 .08 .09 .06 .08 .07 .06 .10 .08 .06 .05 .06 .07 .08 .07 .12 .07 .08 .07 .05 .07 .09 .09 .10 .08 .04 .07 .07
0
.08 .08 .06 .07 .05 .06 .09 .07 .07 .09 .76
[1] 3o1g.a .07 .06 .07 .08 .10 .09 .06 .07 .08 .05 .06 .04 .05 .05 .06 .06 .03 .06 .07 .06 .09 .08 .07 .06 .09 .05 .08 .06 .09 .06 .08 .05 .06 .08
0
.06 .05 .04 .09 .08 .05 .06 .06 .07 .73
[1] 3ovz.a .04 .05 .05 .03 .06 .08 .04 .06 .07 .03 .04 .04 .04 .03 .05 .05 .04 .03 .04 .05 .07 .06 .06 .04 .06 .05 .05 .06 .04 .05 .07 .04 .04 .08 .06
0
.03 .06 .07 .08 .06 .04 .06 .06 .72
[1] 4dmx.a .03 .04 .04 .04 .06 .06 .03 .04 .05 .03 .03 .02 .06 .03 .06 .05 .03 .03 .03 .03 .08 .03 .08 .03 .05 .03 .04 .03 .04 .04 .05 .04 .03 .06 .05 .03
0
.04 .07 .07 .05 .02 .03 .05 .71
[1] 4dmy.a .06 .07 .06 .07 .08 .08 .06 .06 .08 .06 .05 .04 .07 .04 .07 .07 .04 .06 .04 .04 .07 .04 .08 .05 .08 .04 .06 .03 .06 .06 .07 .06 .04 .07 .04 .06 .04
0
.07 .06 .03 .05 .03 .05 .73
[1] 4x6h.a .08 .08 .05 .07 .04 .04 .07 .08 .06 .08 .07 .07 .10 .07 .05 .06 .07 .07 .05 .07 .08 .06 .08 .07 .05 .07 .08 .05 .07 .08 .04 .08 .07 .05 .09 .07 .07 .07
0
.04 .06 .07 .07 .08 .75
[1] 4x6i.a .08 .08 .06 .08 .05 .05 .07 .07 .06 .08 .07 .07 .10 .07 .05 .07 .08 .07 .08 .07 .10 .06 .08 .08 .06 .06 .09 .06 .09 .08 .05 .08 .07 .06 .08 .08 .07 .06 .04
0
.06 .07 .07 .07 .75
[1] 4x6j.a .06 .06 .06 .07 .08 .09 .05 .05 .08 .05 .04 .05 .08 .03 .05 .08 .05 .07 .04 .05 .06 .05 .08 .06 .08 .05 .06 .03 .06 .07 .07 .07 .05 .09 .05 .06 .05 .03 .06 .06
0
.05 .05 .03 .72
[1] 4yv8.a .03 .03 .04 .04 .06 .07 .03 .04 .07 .04 .03 .03 .07 .04 .06 .06 .04 .03 .04 .03 .08 .04 .09 .03 .06 .03 .05 .03 .05 .03 .06 .04 .03 .07 .06 .04 .02 .05 .07 .07 .05
0
.04 .06 .71
[1] 5j94.a .04 .05 .05 .06 .06 .07 .05 .05 .07 .05 .05 .03 .08 .05 .08 .06 .04 .04 .04 .03 .09 .03 .09 .05 .08 .03 .06 .04 .06 .04 .07 .04 .03 .07 .06 .06 .03 .03 .07 .07 .05 .04
0
.07 .72
[1] 5tdi.a .06 .07 .07 .07 .09 .09 .06 .07 .09 .07 .06 .06 .08 .04 .07 .09 .06 .06 .06 .05 .06 .06 .08 .06 .08 .06 .07 .06 .07 .07 .08 .08 .06 .09 .07 .06 .05 .05 .08 .07 .03 .06 .07
0
.73
[2] 7pck.a .71 .71 .72 .72 .74 .74 .71 .71 .74 .72 .69 .71 .74 .70 .74 .73 .72 .72 .71 .70 .75 .73 .77 .71 .73 .70 .71 .70 .72 .73 .74 .72 .71 .76 .73 .72 .71 .73 .75 .75 .72 .71 .72 .73
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
1au0.a
1au2.a
1au3.a
1au4.a
1ayu.a
1ayv.a
1ayw.a
1bgo.a
1mem.a
1nl6.a
1nlj.a
1q6k.a
1snk.a
1tu6.b
1u9v.a
1u9w.a
1u9x.a
1vsn.a
1yk7.a
1yk8.a
1yt7.a
2ato.a
2aux.a
2auz.a
2bdl.a
2f7d.a
2ftd.b
2r6n.a
3c9e.a
3kw9.a
3kwb.x
3kwz.a
3kx1.a
3o0u.a
3o1g.a
3ovz.a
4dmx.a
4dmy.a
4x6h.a
4x6i.a
4x6j.a
4yv8.a
5j94.a
5tdi.a
7pck.a
[1] 1au0.a
0
0.5 0.5 0.5 0.5 0.4 0.4 0.5 0.5 0.6 0.5 0.5 0.6 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.6 0.5 0.5 0.4 0.6 0.4 0.5 0.4 0.5 0.6 0.4 0.5 0.6 0.6 0.4 0.5 0.5 0.5 0.4 0.4 0.5 0.5 0.7
[1] 1au2.a 0.5
0
0.5 0.4 0.4 0.4 0.4 0.4 0.5 0.5 0.4 0.5 0.6 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.6 0.4 0.5 0.4 0.5 0.5 0.5 0.5 0.5 0.6 0.4 0.6 0.6 0.5 0.4 0.6 0.5 0.5 0.5 0.4 0.5 0.5 0.6
[1] 1au3.a 0.5 0.5
0
0.4 0.3 0.3 0.4 0.5 0.5 0.5 0.4 0.4 0.6 0.5 0.4 0.5 0.4 0.4 0.5 0.4 0.5 0.4 0.5 0.4 0.4 0.3 0.5 0.4 0.5 0.4 0.4 0.5 0.3 0.4 0.5 0.6 0.4 0.5 0.5 0.4 0.4 0.4 0.4 0.4 0.7
[1] 1au4.a 0.5 0.4 0.4
0
0.4 0.5 0.4 0.4 0.5 0.5 0.4 0.5 0.6 0.5 0.5 0.5 0.5 0.4 0.5 0.5 0.5 0.5 0.6 0.4 0.5 0.4 0.5 0.5 0.4 0.5 0.5 0.6 0.5 0.6 0.6 0.5 0.5 0.5 0.6 0.5 0.5 0.4 0.5 0.5 0.6
[1] 1ayu.a 0.5 0.4 0.3 0.4
0
0.3 0.4 0.4 0.4 0.5 0.3 0.4 0.5 0.4 0.4 0.5 0.4 0.3 0.4 0.4 0.4 0.4 0.5 0.4 0.4 0.2 0.4 0.4 0.4 0.4 0.3 0.5 0.3 0.4 0.5 0.5 0.4 0.4 0.4 0.3 0.3 0.4 0.4 0.4 0.6
[1] 1ayv.a 0.4 0.4 0.3 0.5 0.3
0
0.4 0.5 0.4 0.5 0.4 0.4 0.6 0.5 0.5 0.5 0.5 0.4 0.5 0.4 0.5 0.4 0.5 0.4 0.4 0.3 0.4 0.4 0.4 0.4 0.3 0.5 0.3 0.4 0.5 0.5 0.3 0.4 0.5 0.4 0.4 0.3 0.4 0.4 0.6
[1] 1ayw.a 0.4 0.4 0.4 0.4 0.4 0.4
0
0.4 0.4 0.5 0.4 0.5 0.5 0.4 0.4 0.5 0.4 0.4 0.4 0.4 0.4 0.4 0.6 0.4 0.5 0.3 0.5 0.4 0.4 0.3 0.4 0.5 0.4 0.5 0.5 0.5 0.3 0.4 0.4 0.4 0.3 0.4 0.4 0.4 0.7
[1] 1bgo.a 0.5 0.4 0.5 0.4 0.4 0.5 0.4
0
0.6 0.6 0.4 0.6 0.7 0.4 0.5 0.6 0.6 0.6 0.5 0.5 0.5 0.5 0.7 0.5 0.6 0.5 0.6 0.4 0.4 0.5 0.5 0.7 0.5 0.7 0.7 0.6 0.4 0.6 0.5 0.5 0.4 0.5 0.5 0.5 0.7
[1] 1mem.a 0.5 0.5 0.5 0.5 0.4 0.4 0.4 0.6
0
0.4 0.4 0.4 0.4 0.4 0.3 0.3 0.3 0.4 0.5 0.4 0.5 0.4 0.4 0.4 0.3 0.4 0.5 0.4 0.5 0.3 0.4 0.3 0.4 0.4 0.4 0.4 0.4 0.4 0.5 0.5 0.3 0.4 0.4 0.4 0.7
[1] 1nl6.a 0.6 0.5 0.5 0.5 0.5 0.5 0.5 0.6 0.4
0
0.4 0.4 0.4 0.5 0.4 0.4 0.4 0.4 0.6 0.5 0.6 0.6 0.3 0.4 0.4 0.4 0.5 0.6 0.6 0.5 0.5 0.5 0.5 0.5 0.3 0.4 0.5 0.6 0.6 0.6 0.5 0.4 0.5 0.5 0.7
[1] 1nlj.a 0.5 0.4 0.4 0.4 0.3 0.4 0.4 0.4 0.4 0.4
0
0.4 0.5 0.4 0.4 0.5 0.4 0.4 0.5 0.4 0.5 0.5 0.5 0.4 0.4 0.3 0.4 0.4 0.5 0.4 0.4 0.5 0.4 0.5 0.5 0.5 0.4 0.5 0.5 0.4 0.4 0.4 0.5 0.5 0.6
[1] 1q6k.a 0.5 0.5 0.4 0.5 0.4 0.4 0.5 0.6 0.4 0.4 0.4
0
0.4 0.5 0.4 0.4 0.4 0.5 0.6 0.4 0.6 0.5 0.3 0.3 0.4 0.4 0.5 0.5 0.6 0.4 0.4 0.4 0.3 0.4 0.4 0.4 0.4 0.5 0.5 0.4 0.5 0.2 0.5 0.5 0.7
[1] 1snk.a 0.6 0.6 0.6 0.6 0.5 0.6 0.5 0.7 0.4 0.4 0.5 0.4
0
0.5 0.3 0.3 0.3 0.5 0.7 0.6 0.7 0.7 0.3 0.5 0.4 0.5 0.6 0.6 0.7 0.4 0.6 0.4 0.5 0.5 0.3 0.4 0.6 0.6 0.7 0.6 0.5 0.4 0.6 0.6 0.7
[1] 1tu6.b 0.5 0.5 0.5 0.5 0.4 0.5 0.4 0.4 0.4 0.5 0.4 0.5 0.5
0
0.4 0.5 0.4 0.5 0.4 0.5 0.4 0.4 0.5 0.5 0.4 0.4 0.5 0.3 0.5 0.3 0.4 0.5 0.4 0.5 0.5 0.5 0.4 0.5 0.4 0.5 0.3 0.4 0.4 0.5 0.8
[1] 1u9v.a 0.5 0.5 0.4 0.5 0.4 0.5 0.4 0.5 0.3 0.4 0.4 0.4 0.3 0.4
0
0.3 0.2 0.4 0.6 0.4 0.6 0.6 0.3 0.3 0.3 0.4 0.5 0.4 0.6 0.4 0.4 0.5 0.3 0.5 0.3 0.4 0.5 0.5 0.6 0.5 0.4 0.3 0.5 0.5 0.7
[1] 1u9w.a 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.6 0.3 0.4 0.5 0.4 0.3 0.5 0.3
0
0.1 0.4 0.5 0.4 0.6 0.5 0.3 0.4 0.4 0.4 0.5 0.5 0.6 0.3 0.4 0.3 0.4 0.4 0.3 0.5 0.5 0.4 0.6 0.6 0.4 0.4 0.4 0.5 0.7
[1] 1u9x.a 0.5 0.5 0.4 0.5 0.4 0.5 0.4 0.6 0.3 0.4 0.4 0.4 0.3 0.4 0.2 0.1
0
0.4 0.5 0.4 0.6 0.5 0.3 0.4 0.4 0.4 0.5 0.4 0.6 0.3 0.4 0.3 0.3 0.4 0.3 0.4 0.5 0.4 0.5 0.5 0.4 0.3 0.4 0.5 0.7
[1] 1vsn.a 0.5 0.5 0.4 0.4 0.3 0.4 0.4 0.6 0.4 0.4 0.4 0.5 0.5 0.5 0.4 0.4 0.4
0
0.5 0.4 0.5 0.5 0.5 0.5 0.4 0.3 0.4 0.4 0.5 0.4 0.5 0.4 0.4 0.4 0.5 0.4 0.5 0.5 0.5 0.5 0.4 0.4 0.5 0.4 0.5
[1] 1yk7.a 0.5 0.5 0.5 0.5 0.4 0.5 0.4 0.5 0.5 0.6 0.5 0.6 0.7 0.4 0.6 0.5 0.5 0.5
0
0.5 0.4 0.3 0.7 0.5 0.6 0.4 0.6 0.3 0.4 0.4 0.4 0.5 0.5 0.5 0.6 0.6 0.4 0.4 0.3 0.4 0.3 0.5 0.4 0.4 0.7
[1] 1yk8.a 0.5 0.5 0.4 0.5 0.4 0.4 0.4 0.5 0.4 0.5 0.4 0.4 0.6 0.5 0.4 0.4 0.4 0.4 0.5
0
0.5 0.4 0.5 0.4 0.4 0.3 0.5 0.4 0.5 0.4 0.4 0.5 0.3 0.4 0.5 0.5 0.4 0.5 0.4 0.3 0.4 0.4 0.5 0.4 0.7
[1] 1yt7.a 0.5 0.5 0.5 0.5 0.4 0.5 0.4 0.5 0.5 0.6 0.5 0.6 0.7 0.4 0.6 0.6 0.6 0.5 0.4 0.5
0
0.4 0.7 0.6 0.5 0.4 0.5 0.3 0.3 0.4 0.4 0.5 0.4 0.5 0.6 0.5 0.4 0.4 0.3 0.4 0.3 0.5 0.4 0.4 0.7
[1] 2ato.a 0.5 0.5 0.4 0.5 0.4 0.4 0.4 0.5 0.4 0.6 0.5 0.5 0.7 0.4 0.6 0.5 0.5 0.5 0.3 0.4 0.4
0
0.7 0.5 0.5 0.3 0.5 0.4 0.3 0.4 0.3 0.5 0.4 0.5 0.6 0.6 0.3 0.4 0.3 0.4 0.3 0.5 0.3 0.4 0.8
[1] 2aux.a 0.6 0.6 0.5 0.6 0.5 0.5 0.6 0.7 0.4 0.3 0.5 0.3 0.3 0.5 0.3 0.3 0.3 0.5 0.7 0.5 0.7 0.7
0
0.4 0.4 0.5 0.5 0.6 0.7 0.5 0.5 0.4 0.5 0.5 0.2 0.4 0.6 0.6 0.7 0.7 0.6 0.4 0.5 0.6 0.8
[1] 2auz.a 0.5 0.4 0.4 0.4 0.4 0.4 0.4 0.5 0.4 0.4 0.4 0.3 0.5 0.5 0.3 0.4 0.4 0.5 0.5 0.4 0.6 0.5 0.4
0
0.4 0.4 0.5 0.5 0.5 0.4 0.4 0.5 0.3 0.5 0.4 0.5 0.4 0.5 0.5 0.4 0.4 0.3 0.5 0.5 0.7
[1] 2bdl.a 0.5 0.5 0.4 0.5 0.4 0.4 0.5 0.6 0.3 0.4 0.4 0.4 0.4 0.4 0.3 0.4 0.4 0.4 0.6 0.4 0.5 0.5 0.4 0.4
0
0.3 0.4 0.5 0.6 0.4 0.4 0.4 0.3 0.4 0.4 0.4 0.5 0.6 0.6 0.5 0.4 0.4 0.5 0.5 0.7
[1] 2f7d.a 0.4 0.4 0.3 0.4 0.2 0.3 0.3 0.5 0.4 0.4 0.3 0.4 0.5 0.4 0.4 0.4 0.4 0.3 0.4 0.3 0.4 0.3 0.5 0.4 0.3
0
0.4 0.3 0.4 0.4 0.3 0.4 0.3 0.3 0.4 0.5 0.3 0.4 0.4 0.3 0.3 0.3 0.3 0.3 0.6
[1] 2ftd.b 0.6 0.5 0.5 0.5 0.4 0.4 0.5 0.6 0.5 0.5 0.4 0.5 0.6 0.5 0.5 0.5 0.5 0.4 0.6 0.5 0.5 0.5 0.5 0.5 0.4 0.4
0
0.5 0.5 0.5 0.5 0.6 0.4 0.5 0.5 0.5 0.5 0.6 0.5 0.5 0.4 0.5 0.5 0.5 0.6
[1] 2r6n.a 0.4 0.5 0.4 0.5 0.4 0.4 0.4 0.4 0.4 0.6 0.4 0.5 0.6 0.3 0.4 0.5 0.4 0.4 0.3 0.4 0.3 0.4 0.6 0.5 0.5 0.3 0.5
0
0.4 0.3 0.4 0.5 0.4 0.5 0.5 0.5 0.4 0.4 0.3 0.4 0.2 0.5 0.4 0.4 0.7
[1] 3c9e.a 0.5 0.5 0.5 0.4 0.4 0.4 0.4 0.4 0.5 0.6 0.5 0.6 0.7 0.5 0.6 0.6 0.6 0.5 0.4 0.5 0.3 0.3 0.7 0.5 0.6 0.4 0.5 0.4
0
0.4 0.4 0.6 0.5 0.6 0.7 0.6 0.4 0.5 0.4 0.4 0.3 0.5 0.4 0.4 0.6
[1] 3kw9.a 0.4 0.5 0.4 0.5 0.4 0.4 0.3 0.5 0.3 0.5 0.4 0.4 0.4 0.3 0.4 0.3 0.3 0.4 0.4 0.4 0.4 0.4 0.5 0.4 0.4 0.4 0.5 0.3 0.4
0
0.4 0.3 0.3 0.4 0.4 0.4 0.3 0.3 0.4 0.4 0.3 0.3 0.3 0.3 0.7
[1] 3kwb.x 0.5 0.5 0.4 0.5 0.3 0.3 0.4 0.5 0.4 0.5 0.4 0.4 0.6 0.4 0.4 0.4 0.4 0.5 0.4 0.4 0.4 0.3 0.5 0.4 0.4 0.3 0.5 0.4 0.4 0.4
0
0.5 0.3 0.4 0.5 0.5 0.3 0.4 0.4 0.4 0.3 0.3 0.3 0.4 0.7
[1] 3kwz.a 0.6 0.6 0.5 0.6 0.5 0.5 0.5 0.7 0.3 0.5 0.5 0.4 0.4 0.5 0.5 0.3 0.3 0.4 0.5 0.5 0.5 0.5 0.4 0.5 0.4 0.4 0.6 0.5 0.6 0.3 0.5
0
0.4 0.4 0.4 0.4 0.5 0.4 0.6 0.6 0.4 0.5 0.4 0.5 0.7
[1] 3kx1.a 0.4 0.4 0.3 0.5 0.3 0.3 0.4 0.5 0.4 0.5 0.4 0.3 0.5 0.4 0.3 0.4 0.3 0.4 0.5 0.3 0.4 0.4 0.5 0.3 0.3 0.3 0.4 0.4 0.5 0.3 0.3 0.4
0
0.3 0.4 0.4 0.3 0.4 0.4 0.3 0.3 0.3 0.4 0.4 0.7
[1] 3o0u.a 0.5 0.6 0.4 0.6 0.4 0.4 0.5 0.7 0.4 0.5 0.5 0.4 0.5 0.5 0.5 0.4 0.4 0.4 0.5 0.4 0.5 0.5 0.5 0.5 0.4 0.3 0.5 0.5 0.6 0.4 0.4 0.4 0.3
0
0.4 0.5 0.4 0.5 0.5 0.5 0.5 0.4 0.4 0.4 0.7
[1] 3o1g.a 0.6 0.6 0.5 0.6 0.5 0.5 0.5 0.7 0.4 0.3 0.5 0.4 0.3 0.5 0.3 0.3 0.3 0.5 0.6 0.5 0.6 0.6 0.2 0.4 0.4 0.4 0.5 0.5 0.7 0.4 0.5 0.4 0.4 0.4
0
0.4 0.5 0.6 0.6 0.6 0.5 0.4 0.5 0.6 0.8
[1] 3ovz.a 0.6 0.5 0.6 0.5 0.5 0.5 0.5 0.6 0.4 0.4 0.5 0.4 0.4 0.5 0.4 0.5 0.4 0.4 0.6 0.5 0.5 0.6 0.4 0.5 0.4 0.5 0.5 0.5 0.6 0.4 0.5 0.4 0.4 0.5 0.4
0
0.5 0.5 0.6 0.6 0.5 0.5 0.5 0.5 0.7
[1] 4dmx.a 0.4 0.4 0.4 0.5 0.4 0.3 0.3 0.4 0.4 0.5 0.4 0.4 0.6 0.4 0.5 0.5 0.5 0.5 0.4 0.4 0.4 0.3 0.6 0.4 0.5 0.3 0.5 0.4 0.4 0.3 0.3 0.5 0.3 0.4 0.5 0.5
0
0.4 0.3 0.4 0.3 0.3 0.3 0.3 0.7
[1] 4dmy.a 0.5 0.6 0.5 0.5 0.4 0.4 0.4 0.6 0.4 0.6 0.5 0.5 0.6 0.5 0.5 0.4 0.4 0.5 0.4 0.5 0.4 0.4 0.6 0.5 0.6 0.4 0.6 0.4 0.5 0.3 0.4 0.4 0.4 0.5 0.6 0.5 0.4
0
0.4 0.5 0.3 0.5 0.3 0.4 0.7
[1] 4x6h.a 0.5 0.5 0.5 0.6 0.4 0.5 0.4 0.5 0.5 0.6 0.5 0.5 0.7 0.4 0.6 0.6 0.5 0.5 0.3 0.4 0.3 0.3 0.7 0.5 0.6 0.4 0.5 0.3 0.4 0.4 0.4 0.6 0.4 0.5 0.6 0.6 0.3 0.4
0
0.3 0.3 0.5 0.4 0.4 0.7
[1] 4x6i.a 0.5 0.5 0.4 0.5 0.3 0.4 0.4 0.5 0.5 0.6 0.4 0.4 0.6 0.5 0.5 0.6 0.5 0.5 0.4 0.3 0.4 0.4 0.7 0.4 0.5 0.3 0.5 0.4 0.4 0.4 0.4 0.6 0.3 0.5 0.6 0.6 0.4 0.5 0.3
0
0.4 0.4 0.5 0.4 0.7
[1] 4x6j.a 0.4 0.5 0.4 0.5 0.3 0.4 0.3 0.4 0.3 0.5 0.4 0.5 0.5 0.3 0.4 0.4 0.4 0.4 0.3 0.4 0.3 0.3 0.6 0.4 0.4 0.3 0.4 0.2 0.3 0.3 0.3 0.4 0.3 0.5 0.5 0.5 0.3 0.3 0.3 0.4
0
0.4 0.3 0.4 0.6
[1] 4yv8.a 0.4 0.4 0.4 0.4 0.4 0.3 0.4 0.5 0.4 0.4 0.4 0.2 0.4 0.4 0.3 0.4 0.3 0.4 0.5 0.4 0.5 0.5 0.4 0.3 0.4 0.3 0.5 0.5 0.5 0.3 0.3 0.5 0.3 0.4 0.4 0.5 0.3 0.5 0.5 0.4 0.4
0
0.4 0.4 0.7
[1] 5j94.a 0.5 0.5 0.4 0.5 0.4 0.4 0.4 0.5 0.4 0.5 0.5 0.5 0.6 0.4 0.5 0.4 0.4 0.5 0.4 0.5 0.4 0.3 0.5 0.5 0.5 0.3 0.5 0.4 0.4 0.3 0.3 0.4 0.4 0.4 0.5 0.5 0.3 0.3 0.4 0.5 0.3 0.4
0
0.4 0.7
[1] 5tdi.a 0.5 0.5 0.4 0.5 0.4 0.4 0.4 0.5 0.4 0.5 0.5 0.5 0.6 0.5 0.5 0.5 0.5 0.4 0.4 0.4 0.4 0.4 0.6 0.5 0.5 0.3 0.5 0.4 0.4 0.3 0.4 0.5 0.4 0.4 0.6 0.5 0.3 0.4 0.4 0.4 0.4 0.4 0.4
0
0.7
[2] 7pck.a 0.7 0.6 0.7 0.6 0.6 0.6 0.7 0.7 0.7 0.7 0.6 0.7 0.7 0.8 0.7 0.7 0.7 0.5 0.7 0.7 0.7 0.8 0.8 0.7 0.7 0.6 0.6 0.7 0.6 0.7 0.7 0.7 0.7 0.7 0.8 0.7 0.7 0.7 0.7 0.7 0.6 0.7 0.7 0.7
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
1au0.a
1au2.a
1au3.a
1au4.a
1ayu.a
1ayv.a
1ayw.a
1bgo.a
1mem.a
1nl6.a
1nlj.a
1q6k.a
1snk.a
1tu6.b
1u9v.a
1u9w.a
1u9x.a
1vsn.a
1yk7.a
1yk8.a
1yt7.a
2ato.a
2aux.a
2auz.a
2bdl.a
2f7d.a
2ftd.b
2r6n.a
3c9e.a
3kw9.a
3kwb.x
3kwz.a
3kx1.a
3o0u.a
3o1g.a
3ovz.a
4dmx.a
4dmy.a
4x6h.a
4x6i.a
4x6j.a
4yv8.a
5j94.a
5tdi.a
7pck.a
[1] 1au0.a
0
0.6 0.9 0.9 0.9 0.8 0.6 1.0 1.0 0.8 0.7 0.9 0.9 0.9 0.9 0.9 0.9 0.9 0.9 0.8 1.0 0.8 1.0 0.8 1.1 0.8 0.9 0.8 0.9 0.8 0.9 0.8 0.8 0.9 1.0 0.9 0.8 0.8 1.0 0.9 0.9 0.8 0.8 1.0 1.0
[1] 1au2.a 0.6
0
0.8 0.8 0.8 0.8 0.6 0.9 0.9 0.8 0.6 0.8 0.9 0.9 0.9 0.8 0.8 0.8 0.9 0.7 1.0 0.8 1.0 0.7 1.1 0.8 0.9 0.7 0.9 0.8 0.8 0.8 0.8 0.9 0.9 0.9 0.8 0.8 1.0 0.9 0.9 0.7 0.8 1.0 0.9
[1] 1au3.a 0.9 0.8
0
0.7 0.7 0.8 0.8 1.1 1.0 0.8 0.7 0.9 1.0 1.0 1.0 0.9 0.9 0.8 1.0 0.8 1.0 0.8 1.1 0.8 1.0 0.7 0.9 0.8 0.9 0.8 0.9 0.9 0.9 0.8 1.1 0.9 0.9 0.8 1.1 0.9 0.9 0.8 0.9 1.0 1.0
[1] 1au4.a 0.9 0.8 0.7
0
0.8 0.8 0.8 1.0 1.0 0.8 0.8 1.0 1.1 1.0 1.0 1.0 1.0 0.8 0.9 0.8 1.0 0.8 1.2 0.8 1.0 0.8 0.9 0.8 1.0 0.9 0.9 0.9 0.9 0.9 1.1 0.9 0.9 0.8 1.1 0.9 1.0 0.8 0.9 1.1 0.9
[1] 1ayu.a 0.9 0.8 0.7 0.8
0
0.5 0.7 1.1 0.9 0.9 0.8 1.0 1.1 1.0 1.0 0.9 1.0 0.8 0.8 0.8 1.0 0.7 1.1 0.9 0.8 0.6 0.9 0.8 1.0 0.8 0.7 0.8 0.8 0.6 1.0 0.9 0.8 0.8 1.0 0.8 0.9 0.9 0.9 0.9 0.9
[1] 1ayv.a 0.8 0.8 0.8 0.8 0.5
0
0.8 1.1 0.8 0.9 0.7 0.9 1.1 0.9 0.9 0.9 0.9 0.9 0.9 0.8 0.9 0.7 1.1 0.8 0.8 0.7 0.8 0.8 1.0 0.9 0.7 0.9 0.8 0.7 1.0 0.9 0.8 0.8 1.0 0.8 0.9 0.8 0.9 0.8 0.9
[1] 1ayw.a 0.6 0.6 0.8 0.8 0.7 0.8
0
1.0 1.0 0.8 0.6 0.8 0.9 0.9 0.9 0.8 0.8 0.7 0.8 0.8 0.9 0.8 1.0 0.7 1.1 0.6 0.9 0.7 0.9 0.6 0.9 0.7 0.7 0.8 0.8 0.8 0.8 0.7 1.0 0.9 0.8 0.7 0.7 1.0 0.9
[1] 1bgo.a 1.0 0.9 1.1 1.0 1.1 1.1 1.0
0
1.0 1.0 0.9 0.9 1.1 0.9 1.1 1.0 1.0 1.1 1.0 0.6 1.2 1.0 1.1 0.9 1.3 1.0 1.2 0.9 1.1 1.0 1.1 1.1 1.0 1.2 1.1 1.2 0.9 0.9 0.9 1.1 1.1 1.0 0.9 1.2 1.2
[1] 1mem.a 1.0 0.9 1.0 1.0 0.9 0.8 1.0 1.0
0
0.9 0.8 0.8 0.9 0.8 0.6 0.7 0.7 1.0 0.9 0.8 1.1 0.9 0.8 0.9 0.9 0.8 1.1 0.9 1.0 0.9 0.6 0.9 0.9 0.9 0.9 1.0 0.8 0.9 0.8 1.0 0.9 0.8 0.9 0.9 1.0
[1] 1nl6.a 0.8 0.8 0.8 0.8 0.9 0.9 0.8 1.0 0.9
0
0.7 0.8 0.8 0.9 0.9 0.8 0.8 0.9 1.0 0.8 1.1 0.9 0.9 0.7 1.0 0.8 0.8 0.8 1.0 0.8 0.9 0.7 0.8 0.9 0.8 0.8 0.8 0.8 1.1 1.1 0.9 0.7 0.8 1.1 1.0
[1] 1nlj.a 0.7 0.6 0.7 0.8 0.8 0.7 0.6 0.9 0.8 0.7
0
0.8 0.8 0.9 0.8 0.8 0.8 0.7 0.9 0.7 0.9 0.7 1.0 0.7 1.0 0.7 0.8 0.6 0.9 0.8 0.8 0.8 0.7 0.9 0.9 0.8 0.7 0.7 1.0 0.9 0.8 0.7 0.8 0.9 0.9
[1] 1q6k.a 0.9 0.8 0.9 1.0 1.0 0.9 0.8 0.9 0.8 0.8 0.8
0
0.9 0.9 0.8 0.8 0.8 0.9 1.0 0.5 1.0 1.0 0.9 0.7 1.1 0.9 1.0 0.8 0.9 0.8 0.9 0.8 0.8 1.0 0.9 0.9 0.8 0.8 0.8 1.0 0.9 0.7 0.7 1.1 1.1
[1] 1snk.a 0.9 0.9 1.0 1.1 1.1 1.1 0.9 1.1 0.9 0.8 0.8 0.9
0
0.8 0.7 0.7 0.6 0.9 1.1 0.8 0.9 1.1 0.6 0.8 1.1 0.9 0.9 0.9 0.9 0.8 1.0 0.8 0.8 1.0 0.7 0.8 0.8 0.8 0.9 1.0 0.8 0.8 0.9 1.1 1.1
[1] 1tu6.b 0.9 0.9 1.0 1.0 1.0 0.9 0.9 0.9 0.8 0.9 0.9 0.9 0.8
0
0.8 0.8 0.7 1.0 0.9 0.7 0.9 0.9 0.8 0.8 0.9 0.9 1.0 0.8 0.9 0.8 0.9 0.9 0.8 0.9 0.8 0.9 0.8 0.8 0.8 0.8 0.7 0.7 0.8 0.9 1.1
[1] 1u9v.a 0.9 0.9 1.0 1.0 1.0 0.9 0.9 1.1 0.6 0.9 0.8 0.8 0.7 0.8
0
0.4 0.4 0.9 1.1 0.8 1.0 1.1 0.7 0.8 1.0 0.9 1.1 0.8 0.9 0.8 0.8 0.9 0.8 0.9 0.7 0.9 0.9 0.9 0.8 0.8 0.8 0.8 0.9 1.1 1.2
[1] 1u9w.a 0.9 0.8 0.9 1.0 0.9 0.9 0.8 1.0 0.7 0.8 0.8 0.8 0.7 0.8 0.4
0
0.3 0.8 1.0 0.7 1.0 0.9 0.6 0.7 1.0 0.8 0.9 0.7 0.9 0.7 0.8 0.8 0.7 0.8 0.7 0.8 0.8 0.8 0.8 0.8 0.8 0.7 0.8 1.0 1.1
[1] 1u9x.a 0.9 0.8 0.9 1.0 1.0 0.9 0.8 1.0 0.7 0.8 0.8 0.8 0.6 0.7 0.4 0.3
0
0.8 1.0 0.7 0.9 0.9 0.7 0.7 1.0 0.8 0.9 0.7 0.9 0.7 0.9 0.8 0.7 0.9 0.6 0.8 0.8 0.7 0.8 0.8 0.7 0.6 0.8 1.0 1.1
[1] 1vsn.a 0.9 0.8 0.8 0.8 0.8 0.9 0.7 1.1 1.0 0.9 0.7 0.9 0.9 1.0 0.9 0.8 0.8
0
0.9 0.8 0.9 0.9 1.1 0.8 0.9 0.4 0.9 0.7 0.9 0.8 0.9 0.7 0.8 0.8 0.9 0.8 0.9 0.8 1.1 0.9 0.8 0.8 0.9 1.0 0.8
[1] 1yk7.a 0.9 0.9 1.0 0.9 0.8 0.9 0.8 1.0 0.9 1.0 0.9 1.0 1.1 0.9 1.1 1.0 1.0 0.9
0
0.7 1.1 0.7 1.1 0.9 1.0 0.6 1.0 0.8 1.0 0.9 0.8 0.8 0.9 0.9 1.1 1.0 0.7 0.8 1.1 1.0 0.9 0.9 1.0 0.9 0.9
[1] 1yk8.a 0.8 0.7 0.8 0.8 0.8 0.8 0.8 0.6 0.8 0.8 0.7 0.5 0.8 0.7 0.8 0.7 0.7 0.8 0.7
0
0.8 0.8 0.8 0.6 1.0 0.7 0.9 0.6 0.8 0.8 0.8 0.7 0.7 0.8 0.8 0.8 0.6 0.6 0.7 0.8 0.7 0.7 0.7 0.9 0.9
[1] 1yt7.a 1.0 1.0 1.0 1.0 1.0 0.9 0.9 1.2 1.1 1.1 0.9 1.0 0.9 0.9 1.0 1.0 0.9 0.9 1.1 0.8
0
1.0 1.1 0.9 1.0 0.8 0.8 0.8 0.7 0.9 1.1 1.0 1.0 0.9 1.1 0.9 0.9 0.8 0.9 0.7 0.7 0.8 0.9 0.9 1.1
[1] 2ato.a 0.8 0.8 0.8 0.8 0.7 0.7 0.8 1.0 0.9 0.9 0.7 1.0 1.1 0.9 1.1 0.9 0.9 0.9 0.7 0.8 1.0
0
1.1 0.8 0.9 0.6 0.9 0.8 1.0 0.9 0.7 0.8 0.9 0.9 1.1 1.0 0.6 0.7 1.1 0.9 0.9 0.8 0.9 0.8 0.9
[1] 2aux.a 1.0 1.0 1.1 1.2 1.1 1.1 1.0 1.1 0.8 0.9 1.0 0.9 0.6 0.8 0.7 0.6 0.7 1.1 1.1 0.8 1.1 1.1
0
0.8 1.1 1.1 1.1 1.0 1.1 0.9 1.0 1.0 0.9 1.0 0.8 0.9 0.9 0.9 0.9 1.0 0.9 0.8 1.0 1.1 1.3
[1] 2auz.a 0.8 0.7 0.8 0.8 0.9 0.8 0.7 0.9 0.9 0.7 0.7 0.7 0.8 0.8 0.8 0.7 0.7 0.8 0.9 0.6 0.9 0.8 0.8
0
0.9 0.8 0.8 0.6 0.8 0.6 0.9 0.8 0.7 0.9 0.8 0.8 0.7 0.7 0.9 0.8 0.7 0.5 0.7 1.0 1.0
[1] 2bdl.a 1.1 1.1 1.0 1.0 0.8 0.8 1.1 1.3 0.9 1.0 1.0 1.1 1.1 0.9 1.0 1.0 1.0 0.9 1.0 1.0 1.0 0.9 1.1 0.9
0
0.9 1.0 1.0 1.0 1.0 0.9 1.1 1.0 0.8 1.1 1.0 1.0 1.0 1.1 0.9 0.9 0.8 1.1 0.8 1.0
[1] 2f7d.a 0.8 0.8 0.7 0.8 0.6 0.7 0.6 1.0 0.8 0.8 0.7 0.9 0.9 0.9 0.9 0.8 0.8 0.4 0.6 0.7 0.8 0.6 1.1 0.8 0.9
0
0.8 0.6 0.9 0.7 0.8 0.7 0.7 0.8 0.9 0.8 0.7 0.7 1.0 0.8 0.8 0.7 0.8 0.8 0.8
[1] 2ftd.b 0.9 0.9 0.9 0.9 0.9 0.8 0.9 1.2 1.1 0.8 0.8 1.0 0.9 1.0 1.1 0.9 0.9 0.9 1.0 0.9 0.8 0.9 1.1 0.8 1.0 0.8
0
0.9 0.7 0.8 1.0 0.9 0.8 0.9 1.0 0.8 0.9 0.8 1.1 0.9 0.8 0.8 1.0 1.0 1.0
[1] 2r6n.a 0.8 0.7 0.8 0.8 0.8 0.8 0.7 0.9 0.9 0.8 0.6 0.8 0.9 0.8 0.8 0.7 0.7 0.7 0.8 0.6 0.8 0.8 1.0 0.6 1.0 0.6 0.9
0
0.8 0.8 0.8 0.8 0.8 0.9 0.9 0.8 0.7 0.6 0.9 0.7 0.7 0.7 0.8 0.9 0.9
[1] 3c9e.a 0.9 0.9 0.9 1.0 1.0 1.0 0.9 1.1 1.0 1.0 0.9 0.9 0.9 0.9 0.9 0.9 0.9 0.9 1.0 0.8 0.7 1.0 1.1 0.8 1.0 0.9 0.7 0.8
0
0.8 1.0 1.0 0.8 1.0 1.0 0.9 0.8 0.8 0.8 0.8 0.7 0.7 0.7 1.0 1.0
[1] 3kw9.a 0.8 0.8 0.8 0.9 0.8 0.9 0.6 1.0 0.9 0.8 0.8 0.8 0.8 0.8 0.8 0.7 0.7 0.8 0.9 0.8 0.9 0.9 0.9 0.6 1.0 0.7 0.8 0.8 0.8
0
0.9 0.6 0.5 0.7 0.7 0.5 0.8 0.7 0.9 0.8 0.7 0.6 0.8 1.0 1.1
[1] 3kwb.x 0.9 0.8 0.9 0.9 0.7 0.7 0.9 1.1 0.6 0.9 0.8 0.9 1.0 0.9 0.8 0.8 0.9 0.9 0.8 0.8 1.1 0.7 1.0 0.9 0.9 0.8 1.0 0.8 1.0 0.9
0
0.9 0.8 0.9 1.0 1.0 0.7 0.9 1.0 0.9 1.0 0.8 0.9 0.9 1.1
[1] 3kwz.a 0.8 0.8 0.9 0.9 0.8 0.9 0.7 1.1 0.9 0.7 0.8 0.8 0.8 0.9 0.9 0.8 0.8 0.7 0.8 0.7 1.0 0.8 1.0 0.8 1.1 0.7 0.9 0.8 1.0 0.6 0.9
0
0.6 0.7 0.7 0.6 0.8 0.7 1.0 1.0 0.8 0.8 0.9 1.0 1.0
[1] 3kx1.a 0.8 0.8 0.9 0.9 0.8 0.8 0.7 1.0 0.9 0.8 0.7 0.8 0.8 0.8 0.8 0.7 0.7 0.8 0.9 0.7 1.0 0.9 0.9 0.7 1.0 0.7 0.8 0.8 0.8 0.5 0.8 0.6
0
0.7 0.7 0.6 0.8 0.8 0.8 0.8 0.7 0.6 0.8 1.0 1.0
[1] 3o0u.a 0.9 0.9 0.8 0.9 0.6 0.7 0.8 1.2 0.9 0.9 0.9 1.0 1.0 0.9 0.9 0.8 0.9 0.8 0.9 0.8 0.9 0.9 1.0 0.9 0.8 0.8 0.9 0.9 1.0 0.7 0.9 0.7 0.7
0
0.8 0.7 0.9 0.8 0.9 0.7 0.8 0.8 1.0 0.9 1.1
[1] 3o1g.a 1.0 0.9 1.1 1.1 1.0 1.0 0.8 1.1 0.9 0.8 0.9 0.9 0.7 0.8 0.7 0.7 0.6 0.9 1.1 0.8 1.1 1.1 0.8 0.8 1.1 0.9 1.0 0.9 1.0 0.7 1.0 0.7 0.7 0.8
0
0.7 0.9 0.9 0.9 1.0 0.8 0.8 0.9 1.1 1.2
[1] 3ovz.a 0.9 0.9 0.9 0.9 0.9 0.9 0.8 1.2 1.0 0.8 0.8 0.9 0.8 0.9 0.9 0.8 0.8 0.8 1.0 0.8 0.9 1.0 0.9 0.8 1.0 0.8 0.8 0.8 0.9 0.5 1.0 0.6 0.6 0.7 0.7
0
0.9 0.8 1.0 0.9 0.8 0.7 1.0 1.0 1.1
[1] 4dmx.a 0.8 0.8 0.9 0.9 0.8 0.8 0.8 0.9 0.8 0.8 0.7 0.8 0.8 0.8 0.9 0.8 0.8 0.9 0.7 0.6 0.9 0.6 0.9 0.7 1.0 0.7 0.9 0.7 0.8 0.8 0.7 0.8 0.8 0.9 0.9 0.9
0
0.6 0.9 0.8 0.8 0.7 0.8 0.8 1.0
[1] 4dmy.a 0.8 0.8 0.8 0.8 0.8 0.8 0.7 0.9 0.9 0.8 0.7 0.8 0.8 0.8 0.9 0.8 0.7 0.8 0.8 0.6 0.8 0.7 0.9 0.7 1.0 0.7 0.8 0.6 0.8 0.7 0.9 0.7 0.8 0.8 0.9 0.8 0.6
0
1.0 0.8 0.7 0.6 0.7 0.8 0.9
[1] 4x6h.a 1.0 1.0 1.1 1.1 1.0 1.0 1.0 0.9 0.8 1.1 1.0 0.8 0.9 0.8 0.8 0.8 0.8 1.1 1.1 0.7 0.9 1.1 0.9 0.9 1.1 1.0 1.1 0.9 0.8 0.9 1.0 1.0 0.8 0.9 0.9 1.0 0.9 1.0
0
0.8 0.8 0.8 0.9 1.0 1.2
[1] 4x6i.a 0.9 0.9 0.9 0.9 0.8 0.8 0.9 1.1 1.0 1.1 0.9 1.0 1.0 0.8 0.8 0.8 0.8 0.9 1.0 0.8 0.7 0.9 1.0 0.8 0.9 0.8 0.9 0.7 0.8 0.8 0.9 1.0 0.8 0.7 1.0 0.9 0.8 0.8 0.8
0
0.6 0.7 1.0 0.8 1.1
[1] 4x6j.a 0.9 0.9 0.9 1.0 0.9 0.9 0.8 1.1 0.9 0.9 0.8 0.9 0.8 0.7 0.8 0.8 0.7 0.8 0.9 0.7 0.7 0.9 0.9 0.7 0.9 0.8 0.8 0.7 0.7 0.7 1.0 0.8 0.7 0.8 0.8 0.8 0.8 0.7 0.8 0.6
0
0.6 0.9 0.8 1.0
[1] 4yv8.a 0.8 0.7 0.8 0.8 0.9 0.8 0.7 1.0 0.8 0.7 0.7 0.7 0.8 0.7 0.8 0.7 0.6 0.8 0.9 0.7 0.8 0.8 0.8 0.5 0.8 0.7 0.8 0.7 0.7 0.6 0.8 0.8 0.6 0.8 0.8 0.7 0.7 0.6 0.8 0.7 0.6
0
0.8 0.8 0.9
[1] 5j94.a 0.8 0.8 0.9 0.9 0.9 0.9 0.7 0.9 0.9 0.8 0.8 0.7 0.9 0.8 0.9 0.8 0.8 0.9 1.0 0.7 0.9 0.9 1.0 0.7 1.1 0.8 1.0 0.8 0.7 0.8 0.9 0.9 0.8 1.0 0.9 1.0 0.8 0.7 0.9 1.0 0.9 0.8
0
1.1 0.9
[1] 5tdi.a 1.0 1.0 1.0 1.1 0.9 0.8 1.0 1.2 0.9 1.1 0.9 1.1 1.1 0.9 1.1 1.0 1.0 1.0 0.9 0.9 0.9 0.8 1.1 1.0 0.8 0.8 1.0 0.9 1.0 1.0 0.9 1.0 1.0 0.9 1.1 1.0 0.8 0.8 1.0 0.8 0.8 0.8 1.1
0
0.9
[2] 7pck.a 1.0 0.9 1.0 0.9 0.9 0.9 0.9 1.2 1.0 1.0 0.9 1.1 1.1 1.1 1.2 1.1 1.1 0.8 0.9 0.9 1.1 0.9 1.3 1.0 1.0 0.8 1.0 0.9 1.0 1.1 1.1 1.0 1.0 1.1 1.2 1.1 1.0 0.9 1.2 1.1 1.0 0.9 0.9 0.9
0
[Binding site full-atom RMSD matrix]







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