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CYSP_TRYCR_123_337

Cruzipain [Peptidase C1 family]

Composition of the binding site

Protein chains monomer
A1 (CYSP_TRYCR):141:148, 181:183, 185:190, 192, 260, 263, 264, 267, 281:285, 306, 310, 330141:148, 181:183, 185:190, 192, 260, 263, 264, 267, 281:285, 306, 310, 330

Full PDB list

1aim, 1ewl, 1ewm, 1ewo, 1ewp, 1f29, 1f2a, 1f2b, 1f2c, 1me3, 1me4, 1u9q, 2aim, 2oz2, 3hd3, 3i06, 3iut, 3kku, 3lxs, 4klb, 4pi3, 4qh6, 4w5b, 4w5c, 4xui

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
Q
1
4
1
G
1
4
2
Q
1
4
3
C
1
4
4
G
1
4
5
S
1
4
6
C
1
4
7
W
1
4
8
D
1
8
2
S
1
8
3
C
1
8
5
S
1
8
6
G
1
8
7
G
1
8
8
L
1
8
9
M
1
9
0
A
2
6
0
A
2
6
3
S
2
6
4
M
2
6
7
Q
2
8
1
L
2
8
2
D
2
8
3
H
2
8
4
G
2
8
5
W
3
0
6
W
3
1
0
E
3
3
0
[1]1aim.a zya28 . . . . . . * . . . . . . . . . . . . . A . . . . . . .
[1]1ewl.a r9926 . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]1ewm.a rl226 . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]1ewo.a vsc37 . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]1ewp.a 0i522 . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]1f29.a vs140 . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]1f2a.a vs243 . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]1f2b.a vs346 . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]1f2c.a vs444 . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]1me3.a p1035 . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]1me4.a t1034 . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]1u9q.x 18630 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2aim.a zra27 . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]2oz2.a d1r41 . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]3hd3.a 25b34 . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]3i06.a ql222 . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]3iut.a kb230 . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]3kku.a b95,z2225 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3lxs.a 4mc41 . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]4klb.a 1rv18 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4pi3.a 2v542 . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]4qh6.a 33l23 . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]4qh6.c none . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4w5b.a 3h519 . . . . . . S . . . . . . . . . . . . . . . . . . . . .
[1]4w5c.a 3h5,3h643 . . . . . . S . . . . . . . . . . . . . . . . . . . . .
[1]4w5c.b 3h712 . . . . . . S . . . . . . . . . . . . . . . . . . . . .
[1]4w5c.c 3h5,3h731 . . . . . . S . . . . . . . . . . . . . . . . . . . . .
[1]4xui.a 2vc42 . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
4
1
G
1
4
2
Q
1
4
3
C
1
4
4
G
1
4
5
S
1
4
6
C
1
4
7
W
1
4
8
T
1
8
1
D
1
8
2
S
1
8
3
C
1
8
5
S
1
8
6
G
1
8
7
G
1
8
8
L
1
8
9
M
1
9
0
N
1
9
2
A
2
6
0
A
2
6
3
S
2
6
4
M
2
6
7
Q
2
8
1
L
2
8
2
D
2
8
3
H
2
8
4
G
2
8
5
W
3
0
6
W
3
1
0
E
3
3
0
[1]1aim.a . . . . . . * . . . . . . . . . . . . . . . A . . . . . . .
[1]1ewl.a . . . . . . * . . . . . . . . . . . . . . * . . . . . . . .
[1]1ewm.a . . . . . . * . . . . . . . . . . . . . . * . . . . . . . .
[1]1ewo.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]1ewp.a . . . . . . * . . . . . . . . . . . . . . * . . . . . . . .
[1]1f29.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]1f2a.a . . . . . . * . . . . . . . . . . . . . . * . . . . . . . .
[1]1f2b.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]1f2c.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]1me3.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]1me4.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]1u9q.x . . . . . . * . . . . . . . . . . . . . . * . . . . . . . .
[1]2aim.a . . . . . . * . . . . . . . . . . . . . . * . . . . . . . .
[1]2oz2.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]3hd3.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]3i06.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]3iut.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]3kku.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]3lxs.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]4klb.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]4pi3.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]4qh6.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]4qh6.c . . . . . . * . . . . . . . . . . . . . . . . . . . . . . .
[1]4w5b.a . . . . . . S . . . . . . . . . . . . . . . . . . . . . . .
[1]4w5c.a . . . . . . S . . . . . . . . . . . . . . . . . . . . . . .
[1]4w5c.b . . . . . . S . . . . . . . . . . . . . . . . . . . . . . .
[1]4w5c.c . . . . . . S . . . . . . . . . . . . . . . . . . . . . . .
[1]4xui.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
1aim.a:zya
1ewl.a:r99
1ewm.a:rl2
1ewo.a:vsc
1ewp.a:0i5
1f29.a:vs1
1f2a.a:vs2
1f2b.a:vs3
1f2c.a:vs4
1me3.a:p10
1me4.a:t10
1u9q.x:186
2aim.a:zra
2oz2.a:d1r
3hd3.a:25b
3i06.a:ql2
3iut.a:kb2
3kku.a:b95,z22
3lxs.a:4mc
4klb.a:1rv
4pi3.a:2v5
4qh6.a:33l
4qh6.c is apo
4w5b.a:3h5
4w5c.a:3h5,3h6
4w5c.b:3h7
4w5c.c:3h5,3h7
4xui.a:2vc
[1] 1aim.a
0.4
0.5 0.6 0.5 0.4 0.4 0.4 0.4 0.6 0.5 0.4 0.3 0.6 0.4 0.4 0.4 0.5 0.5 0.4 0.1 0.4 0.5 - 0.4 0.9 0.3 0.3 0.2
[1] 1ewl.a 0.5
0.4
0.6 0.7 0.4 0.6 0.7 0.4 0.6 0.6 0.5 0.3 0.5 0.4 0.4 0.4 0.5 0.5 0.4 0.4 0.4 0.5 - 0.3 0.9 0.3 0.4 0.2
[1] 1ewm.a 0.5 0.4
0.4
0.7 0.4 0.6 0.7 0.4 0.8 0.6 0.5 0.1 0.5 0.6 0.5 0.4 0.4 0.3 0.4 0.4 0.4 0.5 - 0.3 0.9 0.3 0.2 0.1
[1] 1ewo.a 0.8 0.6 0.7
0.4
0.6 0.4 0.4 0.5 0.6 0.7 0.6 0.3 0.8 0.4 0.4 0.4 0.6 0.4 0.5 0.1 0.4 0.6 - 0.3 0.3 0.3 0.4 0.1
[1] 1ewp.a 0.4 0.3 0.4 0.5
0.4
0.4 0.5 0.3 0.8 0.6 0.4 0.3 0.6 0.4 0.3 0.4 0.4 0.4 0.4 0.1 0.4 0.6 - 0.3 0.9 0.3 0.2 0.1
[1] 1f29.a 0.8 0.6 0.6 0.6 0.6
0.4
0.4 0.6 0.8 0.4 0.5 0.3 0.8 0.5 0.4 0.6 0.6 0.7 0.5 0.1 0.5 0.8 - 0.3 0.7 0.3 0.7 0.1
[1] 1f2a.a 0.8 0.6 0.7 0.6 0.8 0.4
0.4
0.4 0.8 0.6 0.6 0.3 0.8 0.4 0.4 0.6 0.8 0.7 0.4 0.1 0.4 0.6 - 0.4 1.1 0.3 0.4 0.1
[1] 1f2b.a 0.8 0.6 0.6 0.6 0.8 0.4 0.4
0.5
0.6 0.6 0.6 0.3 0.8 0.5 0.4 0.6 0.5 0.4 0.5 0.1 0.5 0.8 - 0.3 0.3 0.3 0.4 0.1
[1] 1f2c.a 0.9 0.6 0.8 0.7 0.9 0.5 0.6 0.6
0.4
0.7 0.7 0.5 1.0 0.5 0.5 0.6 1.1 0.9 0.5 0.2 0.5 0.9 - 0.4 0.6 0.3 0.8 0.1
[1] 1me3.a 0.7 0.4 0.6 0.5 0.4 0.5 0.4 0.3 0.6
0.5
0.4 0.3 0.6 0.4 0.4 0.4 0.4 0.4 0.4 0.1 0.4 0.6 - 0.3 0.1 0.3 0.4 0.1
[1] 1me4.a 0.6 0.4 0.6 0.6 0.4 0.5 0.5 0.3 0.6 0.5
0.4
0.3 0.6 0.4 0.4 0.4 0.4 0.4 0.4 0.1 0.4 0.6 - 0.4 0.3 0.3 0.4 0.1
[1] 1u9q.x 0.8 0.5 0.7 0.4 0.4 0.4 0.4 0.5 0.7 0.6 0.5
0.3
0.8 0.4 0.4 0.6 0.6 0.5 0.4 0.1 0.4 0.6 - 0.4 1.1 0.3 0.7 0.3
[1] 2aim.a 0.7 0.6 0.6 1.0 0.5 0.7 0.9 0.9 0.9 0.7 0.6 0.6
0.4
0.9 0.4 0.7 0.4 0.7 0.5 0.1 0.9 0.8 - 0.5 1.1 0.3 0.3 0.3
[1] 2oz2.a 0.9 0.6 0.7 0.7 0.8 0.5 0.8 1.0 0.7 0.7 0.9 0.5 0.9
0.6
0.6 0.7 1.2 1.0 0.4 0.3 0.4 0.9 - 0.5 0.5 0.3 0.5 0.1
[1] 3hd3.a 0.8 0.6 0.6 0.6 0.8 0.4 0.4 0.6 0.6 0.6 0.7 0.4 0.8 0.4
0.4
0.6 1.0 0.4 0.4 0.1 0.4 0.6 - 0.3 0.3 0.3 0.4 0.1
[1] 3i06.a 1.4 0.5 0.7 1.0 0.8 0.8 1.0 1.0 0.9 1.0 1.1 0.7 0.9 0.7 0.6
0.4
1.4 0.7 0.6 0.3 0.6 0.7 - 0.5 0.6 0.3 0.5 0.3
[1] 3iut.a 0.5 0.4 0.6 0.4 0.4 0.4 0.4 0.5 0.6 0.4 0.4 0.3 0.6 0.4 0.4 0.4
0.4
0.6 0.4 0.2 0.4 0.4 - 0.3 0.4 0.3 0.4 0.1
[1] 3kku.a 1.1 0.5 0.4 0.8 0.7 0.5 0.6 0.7 0.6 0.8 0.9 0.5 0.8 0.4 0.3 0.4 0.6
0.6
0.4 0.3 0.3 0.5 - 0.4 0.3 0.3 0.2 0.1
[1] 3lxs.a 1.3 1.0 0.9 1.2 0.9 1.0 1.3 1.4 0.9 0.9 1.0 1.0 0.9 1.0 0.6 0.7 1.2 0.8
0.4
0.4 0.6 0.9 - 0.5 0.6 0.3 0.5 0.1
[1] 4klb.a 0.9 0.9 0.7 0.9 0.8 0.8 0.8 0.8 1.0 1.0 1.0 0.4 0.8 0.9 0.7 0.7 1.0 0.6 0.9
0.1
0.8 0.8 - 0.4 0.2 0.5 0.4 0.4
[1] 4pi3.a 1.0 0.9 0.8 0.8 0.8 0.5 0.7 0.8 0.5 0.8 0.9 0.7 0.9 0.7 0.4 0.7 1.2 0.7 0.4 0.3
0.4
1.0 - 0.5 0.3 0.3 0.5 0.1
[1] 4qh6.a 0.8 0.4 0.3 0.5 0.6 0.4 0.5 0.6 0.8 0.7 0.6 0.3 0.8 0.5 0.5 0.5 0.8 0.7 0.5 0 0.5
0.4
- 0.4 0.2 0.3 0.2 0.2
[1] 4qh6.c 1.1 0.7 0.8 1.0 0.8 0.8 0.9 0.9 1.0 1.2 1.1 0.5 0.8 0.9 1.0 0.6 0.9 0.7 0.8 0.2 0.7 1.0
-
0.3 0.5 0.3 0.4 0.3
[1] 4w5b.a 0.7 0.2 0.4 0.7 0.5 0.7 0.5 0.5 0.9 0.4 0.5 0.2 0.6 0.5 0.3 0.5 0.6 0.5 0.6 0 0.5 0.6 -
0.1
0.1 0.1 0.1 0.1
[1] 4w5c.a 1.2 1.0 0.9 0.9 1.1 1.0 0.9 0.9 1.3 1.3 1.1 0.6 1.5 1.0 0.8 1.1 1.3 0.9 1.0 0.1 1.1 1.1 - 0.5
0
0.4 0.2 0.4
[1] 4w5c.b 0.9 0.7 0.8 1.0 0.6 0.8 1.0 1.0 1.2 1.1 1.1 0.6 0.8 0.9 0.7 0.4 0.8 0.9 0.8 0.2 0.6 0.8 - 0.4 0.2
0.1
0.1 0.4
[1] 4w5c.c 1.3 1.1 0.8 0.9 1.2 0.9 0.9 1.0 1.3 1.5 1.5 0.6 1.4 0.8 0.7 0.5 0.9 0.8 0.7 0.2 0.6 1.0 - 0.3 0.1 0.2
0.1
0.4
[1] 4xui.a 1.0 0.7 0.7 0.8 0.7 0.5 0.8 1.0 0.8 0.8 0.8 0.9 0.9 0.6 0.5 0.6 1.5 0.6 0.4 0.1 0.5 0.8 - 0.3 0.3 0.3 0.2
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
1aim.a
1ewl.a
1ewm.a
1ewo.a
1ewp.a
1f29.a
1f2a.a
1f2b.a
1f2c.a
1me3.a
1me4.a
1u9q.x
2aim.a
2oz2.a
3hd3.a
3i06.a
3iut.a
3kku.a
3lxs.a
4klb.a
4pi3.a
4qh6.a
4qh6.c
4w5b.a
4w5c.a
4w5c.b
4w5c.c
4xui.a
[1] 1aim.a
0
.02 .03 .03 .02 .03 .03 .04 .05 .03 .03 .02 .04 .05 .05 .06 .04 .05 .06 .05 .06 .04 .05 .06 .08 .06 .07 .07
[1] 1ewl.a .02
0
.02 .03 .03 .04 .03 .03 .04 .04 .03 .02 .05 .06 .04 .05 .04 .05 .07 .04 .07 .04 .04 .05 .07 .05 .06 .07
[1] 1ewm.a .03 .02
0
.04 .03 .04 .04 .04 .06 .04 .04 .04 .05 .07 .06 .07 .05 .06 .09 .05 .08 .05 .05 .04 .07 .06 .06 .09
[1] 1ewo.a .03 .03 .04
0
.04 .03 .04 0 .03 .01 .01 .03 .06 .03 .02 .05 .02 .03 .05 .02 .04 .02 .02 .03 .05 .04 .04 .06
[1] 1ewp.a .02 .03 .03 .04
0
.03 .02 .04 .06 .04 .04 .02 .04 .07 .06 .08 .05 .06 .09 .06 .08 .05 .06 .05 .07 .07 .07 .09
[1] 1f29.a .03 .04 .04 .03 .03
0
.02 .02 .03 .04 .04 .03 .06 .04 .03 .07 .03 .05 .06 .04 .06 .03 .03 .04 .06 .06 .06 .07
[1] 1f2a.a .03 .03 .04 .04 .02 .02
0
.04 .05 .05 .05 .02 .05 .06 .05 .08 .04 .07 .08 .06 .08 .05 .05 .06 .08 .07 .07 .08
[1] 1f2b.a .04 .03 .04 0 .04 .02 .04
0
.03 .02 .02 .04 .07 .03 .02 .05 .02 .03 .05 .03 .04 .03 .02 .03 .05 .04 .04 .06
[1] 1f2c.a .05 .04 .06 .03 .06 .03 .05 .03
0
.05 .05 .05 .08 .03 .03 .06 .04 .05 .04 .04 .04 .04 .05 .06 .06 .05 .06 .05
[1] 1me3.a .03 .04 .04 .01 .04 .04 .05 .02 .05
0
.01 .05 .06 .04 .03 .06 .02 .03 .06 .04 .05 .04 .03 .04 .06 .05 .05 .07
[1] 1me4.a .03 .03 .04 .01 .04 .04 .05 .02 .05 .01
0
.05 .06 .04 .03 .06 .02 .03 .06 .03 .05 .03 .03 .04 .06 .04 .05 .08
[1] 1u9q.x .02 .02 .04 .03 .02 .03 .02 .04 .05 .05 .05
0
.04 .05 .05 .06 .05 .06 .07 .04 .07 .04 .05 .06 .08 .06 .07 .07
[1] 2aim.a .04 .05 .05 .06 .04 .06 .05 .07 .08 .06 .06 .04
0
.09 .08 .10 .07 .08 .08 .09 .09 .08 .08 .08 .11 .10 .10 .10
[1] 2oz2.a .05 .06 .07 .03 .07 .04 .06 .03 .03 .04 .04 .05 .09
0
.01 .06 .04 .03 .02 .04 .02 .04 .04 .06 .07 .05 .06 .06
[1] 3hd3.a .05 .04 .06 .02 .06 .03 .05 .02 .03 .03 .03 .05 .08 .01
0
.06 .03 .03 .03 .03 .02 .03 .03 .04 .06 .05 .06 .06
[1] 3i06.a .06 .05 .07 .05 .08 .07 .08 .05 .06 .06 .06 .06 .10 .06 .06
0
.06 .04 .07 .03 .05 .05 .04 .07 .05 .03 .05 .05
[1] 3iut.a .04 .04 .05 .02 .05 .03 .04 .02 .04 .02 .02 .05 .07 .04 .03 .06
0
.04 .05 .04 .05 .03 .03 .05 .07 .06 .06 .07
[1] 3kku.a .05 .05 .06 .03 .06 .05 .07 .03 .05 .03 .03 .06 .08 .03 .03 .04 .04
0
.04 .03 .03 .03 .03 .04 .06 .04 .05 .06
[1] 3lxs.a .06 .07 .09 .05 .09 .06 .08 .05 .04 .06 .06 .07 .08 .02 .03 .07 .05 .04
0
.06 .01 .05 .06 .07 .09 .07 .08 .05
[1] 4klb.a .05 .04 .05 .02 .06 .04 .06 .03 .04 .04 .03 .04 .09 .04 .03 .03 .04 .03 .06
0
.05 .01 .01 .03 .05 .02 .04 .07
[1] 4pi3.a .06 .07 .08 .04 .08 .06 .08 .04 .04 .05 .05 .07 .09 .02 .02 .05 .05 .03 .01 .05
0
.05 .05 .06 .07 .05 .06 .05
[1] 4qh6.a .04 .04 .05 .02 .05 .03 .05 .03 .04 .04 .03 .04 .08 .04 .03 .05 .03 .03 .05 .01 .05
0
.02 .03 .05 .03 .04 .07
[1] 4qh6.c .05 .04 .05 .02 .06 .03 .05 .02 .05 .03 .03 .05 .08 .04 .03 .04 .03 .03 .06 .01 .05 .02
0
.03 .04 .03 .03 .08
[1] 4w5b.a .06 .05 .04 .03 .05 .04 .06 .03 .06 .04 .04 .06 .08 .06 .04 .07 .05 .04 .07 .03 .06 .03 .03
0
.05 .05 .05 .09
[1] 4w5c.a .08 .07 .07 .05 .07 .06 .08 .05 .06 .06 .06 .08 .11 .07 .06 .05 .07 .06 .09 .05 .07 .05 .04 .05
0
.04 .03 .09
[1] 4w5c.b .06 .05 .06 .04 .07 .06 .07 .04 .05 .05 .04 .06 .10 .05 .05 .03 .06 .04 .07 .02 .05 .03 .03 .05 .04
0
.02 .07
[1] 4w5c.c .07 .06 .06 .04 .07 .06 .07 .04 .06 .05 .05 .07 .10 .06 .06 .05 .06 .05 .08 .04 .06 .04 .03 .05 .03 .02
0
.08
[1] 4xui.a .07 .07 .09 .06 .09 .07 .08 .06 .05 .07 .08 .07 .10 .06 .06 .05 .07 .06 .05 .07 .05 .07 .08 .09 .09 .07 .08
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.7 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
1aim.a
1ewl.a
1ewm.a
1ewo.a
1ewp.a
1f29.a
1f2a.a
1f2b.a
1f2c.a
1me3.a
1me4.a
1u9q.x
2aim.a
2oz2.a
3hd3.a
3i06.a
3iut.a
3kku.a
3lxs.a
4klb.a
4pi3.a
4qh6.a
4qh6.c
4w5b.a
4w5c.a
4w5c.b
4w5c.c
4xui.a
[1] 1aim.a
0
0.2 0.3 0.3 0.2 0.3 0.3 0.3 0.4 0.3 0.3 0.3 0.2 0.5 0.5 0.5 0.3 0.5 0.5 0.4 0.5 0.4 0.4 0.4 0.6 0.5 0.6 0.6
[1] 1ewl.a 0.2
0
0.2 0.3 0.2 0.3 0.3 0.3 0.4 0.2 0.2 0.2 0.2 0.5 0.5 0.5 0.3 0.4 0.5 0.4 0.5 0.4 0.4 0.4 0.5 0.5 0.6 0.6
[1] 1ewm.a 0.3 0.2
0
0.3 0.2 0.3 0.3 0.3 0.5 0.3 0.2 0.3 0.2 0.5 0.5 0.5 0.3 0.4 0.6 0.4 0.5 0.4 0.4 0.3 0.5 0.5 0.6 0.6
[1] 1ewo.a 0.3 0.3 0.3
0
0.2 0.1 0.1 0.1 0.3 0.3 0.3 0.2 0.3 0.4 0.3 0.4 0.3 0.4 0.4 0.3 0.4 0.4 0.4 0.3 0.5 0.5 0.6 0.5
[1] 1ewp.a 0.2 0.2 0.2 0.2
0
0.2 0.2 0.2 0.4 0.2 0.3 0.2 0.2 0.5 0.4 0.4 0.3 0.4 0.5 0.4 0.5 0.4 0.4 0.4 0.5 0.5 0.6 0.6
[1] 1f29.a 0.3 0.3 0.3 0.1 0.2
0
0.1 0.1 0.2 0.3 0.3 0.2 0.3 0.4 0.3 0.4 0.3 0.4 0.4 0.3 0.4 0.3 0.3 0.3 0.5 0.4 0.6 0.5
[1] 1f2a.a 0.3 0.3 0.3 0.1 0.2 0.1
0
0.1 0.3 0.3 0.3 0.2 0.3 0.4 0.3 0.4 0.3 0.4 0.4 0.3 0.4 0.4 0.4 0.3 0.5 0.5 0.6 0.5
[1] 1f2b.a 0.3 0.3 0.3 0.1 0.2 0.1 0.1
0
0.3 0.3 0.3 0.2 0.3 0.4 0.3 0.4 0.3 0.4 0.4 0.3 0.4 0.4 0.3 0.3 0.5 0.4 0.6 0.5
[1] 1f2c.a 0.4 0.4 0.5 0.3 0.4 0.2 0.3 0.3
0
0.5 0.5 0.4 0.5 0.3 0.3 0.3 0.5 0.4 0.3 0.3 0.3 0.4 0.4 0.4 0.6 0.5 0.6 0.5
[1] 1me3.a 0.3 0.2 0.3 0.3 0.2 0.3 0.3 0.3 0.5
0
0.1 0.3 0.3 0.5 0.5 0.5 0.4 0.4 0.5 0.4 0.5 0.5 0.5 0.5 0.6 0.6 0.7 0.6
[1] 1me4.a 0.3 0.2 0.2 0.3 0.3 0.3 0.3 0.3 0.5 0.1
0
0.3 0.3 0.5 0.6 0.5 0.4 0.4 0.5 0.4 0.5 0.4 0.4 0.4 0.6 0.5 0.7 0.6
[1] 1u9q.x 0.3 0.2 0.3 0.2 0.2 0.2 0.2 0.2 0.4 0.3 0.3
0
0.3 0.5 0.4 0.4 0.3 0.4 0.5 0.3 0.5 0.4 0.4 0.3 0.5 0.5 0.6 0.5
[1] 2aim.a 0.2 0.2 0.2 0.3 0.2 0.3 0.3 0.3 0.5 0.3 0.3 0.3
0
0.5 0.5 0.5 0.3 0.5 0.6 0.4 0.5 0.4 0.4 0.4 0.6 0.5 0.6 0.6
[1] 2oz2.a 0.5 0.5 0.5 0.4 0.5 0.4 0.4 0.4 0.3 0.5 0.5 0.5 0.5
0
0.4 0.3 0.6 0.3 0.1 0.3 0.1 0.4 0.4 0.5 0.6 0.5 0.6 0.5
[1] 3hd3.a 0.5 0.5 0.5 0.3 0.4 0.3 0.3 0.3 0.3 0.5 0.6 0.4 0.5 0.4
0
0.5 0.4 0.4 0.4 0.3 0.4 0.4 0.4 0.3 0.6 0.5 0.7 0.6
[1] 3i06.a 0.5 0.5 0.5 0.4 0.4 0.4 0.4 0.4 0.3 0.5 0.5 0.4 0.5 0.3 0.5
0
0.6 0.2 0.3 0.3 0.2 0.4 0.4 0.5 0.5 0.5 0.6 0.5
[1] 3iut.a 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.5 0.4 0.4 0.3 0.3 0.6 0.4 0.6
0
0.5 0.6 0.4 0.6 0.5 0.4 0.4 0.6 0.5 0.7 0.6
[1] 3kku.a 0.5 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.5 0.3 0.4 0.2 0.5
0
0.3 0.3 0.3 0.4 0.3 0.3 0.5 0.5 0.6 0.5
[1] 3lxs.a 0.5 0.5 0.6 0.4 0.5 0.4 0.4 0.4 0.3 0.5 0.5 0.5 0.6 0.1 0.4 0.3 0.6 0.3
0
0.4 0.1 0.4 0.4 0.5 0.6 0.5 0.7 0.5
[1] 4klb.a 0.4 0.4 0.4 0.3 0.4 0.3 0.3 0.3 0.3 0.4 0.4 0.3 0.4 0.3 0.3 0.3 0.4 0.3 0.4
0
0.3 0.3 0.3 0.3 0.4 0.4 0.6 0.5
[1] 4pi3.a 0.5 0.5 0.5 0.4 0.5 0.4 0.4 0.4 0.3 0.5 0.5 0.5 0.5 0.1 0.4 0.2 0.6 0.3 0.1 0.3
0
0.4 0.4 0.4 0.6 0.5 0.6 0.5
[1] 4qh6.a 0.4 0.4 0.4 0.4 0.4 0.3 0.4 0.4 0.4 0.5 0.4 0.4 0.4 0.4 0.4 0.4 0.5 0.4 0.4 0.3 0.4
0
0.3 0.4 0.5 0.3 0.5 0.5
[1] 4qh6.c 0.4 0.4 0.4 0.4 0.4 0.3 0.4 0.3 0.4 0.5 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.3 0.4 0.3 0.4 0.3
0
0.3 0.4 0.3 0.5 0.5
[1] 4w5b.a 0.4 0.4 0.3 0.3 0.4 0.3 0.3 0.3 0.4 0.5 0.4 0.3 0.4 0.5 0.3 0.5 0.4 0.3 0.5 0.3 0.4 0.4 0.3
0
0.5 0.5 0.6 0.5
[1] 4w5c.a 0.6 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.6 0.6 0.6 0.5 0.6 0.6 0.6 0.5 0.6 0.5 0.6 0.4 0.6 0.5 0.4 0.5
0
0.4 0.5 0.6
[1] 4w5c.b 0.5 0.5 0.5 0.5 0.5 0.4 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 0.4 0.5 0.3 0.3 0.5 0.4
0
0.4 0.6
[1] 4w5c.c 0.6 0.6 0.6 0.6 0.6 0.6 0.6 0.6 0.6 0.7 0.7 0.6 0.6 0.6 0.7 0.6 0.7 0.6 0.7 0.6 0.6 0.5 0.5 0.6 0.5 0.4
0
0.7
[1] 4xui.a 0.6 0.6 0.6 0.5 0.6 0.5 0.5 0.5 0.5 0.6 0.6 0.5 0.6 0.5 0.6 0.5 0.6 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.6 0.6 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
1aim.a
1ewl.a
1ewm.a
1ewo.a
1ewp.a
1f29.a
1f2a.a
1f2b.a
1f2c.a
1me3.a
1me4.a
1u9q.x
2aim.a
2oz2.a
3hd3.a
3i06.a
3iut.a
3kku.a
3lxs.a
4klb.a
4pi3.a
4qh6.a
4qh6.c
4w5b.a
4w5c.a
4w5c.b
4w5c.c
4xui.a
[1] 1aim.a
0
0.4 0.5 0.6 0.3 0.6 0.6 0.7 0.6 0.6 0.6 0.6 0.5 0.7 0.8 0.8 0.7 0.8 0.7 0.8 0.7 0.7 0.7 0.8 0.9 0.8 0.8 0.8
[1] 1ewl.a 0.4
0
0.5 0.6 0.4 0.8 0.6 0.8 0.7 0.7 0.6 0.7 0.7 0.8 0.9 0.8 0.6 0.8 0.9 0.7 0.9 0.7 0.8 0.8 0.9 0.8 0.8 1.0
[1] 1ewm.a 0.5 0.5
0
0.6 0.4 0.7 0.7 0.7 0.9 0.6 0.6 0.7 0.6 0.8 0.8 0.9 0.7 0.9 0.9 0.8 0.9 0.8 0.8 0.8 0.9 0.8 0.9 0.9
[1] 1ewo.a 0.6 0.6 0.6
0
0.6 0.6 0.8 0.6 0.7 0.6 0.7 0.8 0.7 0.7 0.7 0.9 0.7 0.9 0.7 0.7 0.7 0.7 0.8 0.7 0.8 0.8 0.9 0.8
[1] 1ewp.a 0.3 0.4 0.4 0.6
0
0.6 0.6 0.7 0.7 0.7 0.6 0.7 0.6 0.8 0.9 0.9 0.7 0.9 0.8 0.8 0.8 0.7 0.8 0.8 0.9 0.8 0.9 0.9
[1] 1f29.a 0.6 0.8 0.7 0.6 0.6
0
0.6 0.4 0.7 0.6 0.7 0.6 0.7 0.6 0.6 0.8 0.8 0.8 0.6 0.8 0.6 0.7 0.8 0.8 0.9 0.8 0.9 0.7
[1] 1f2a.a 0.6 0.6 0.7 0.8 0.6 0.6
0
0.6 0.6 0.8 0.7 0.5 0.8 0.8 0.8 0.7 0.7 0.7 0.8 0.7 0.8 0.7 0.8 0.8 1.0 0.8 0.9 0.9
[1] 1f2b.a 0.7 0.8 0.7 0.6 0.7 0.4 0.6
0
0.7 0.7 0.8 0.6 0.8 0.6 0.6 0.8 0.8 0.8 0.7 0.8 0.6 0.8 0.8 0.8 0.9 0.8 0.9 0.7
[1] 1f2c.a 0.6 0.7 0.9 0.7 0.7 0.7 0.6 0.7
0
0.8 0.7 0.7 0.8 0.7 0.8 0.7 0.7 0.7 0.7 0.6 0.7 0.7 0.7 0.7 0.8 0.7 0.8 0.8
[1] 1me3.a 0.6 0.7 0.6 0.6 0.7 0.6 0.8 0.7 0.8
0
0.6 0.7 0.7 0.8 0.8 0.9 0.7 0.9 0.8 0.7 0.8 0.8 0.9 0.8 0.9 0.8 0.9 0.9
[1] 1me4.a 0.6 0.6 0.6 0.7 0.6 0.7 0.7 0.8 0.7 0.6
0
0.6 0.7 0.8 0.8 0.8 0.6 0.7 0.9 0.7 0.9 0.6 0.7 0.7 0.9 0.8 0.8 1.0
[1] 1u9q.x 0.6 0.7 0.7 0.8 0.7 0.6 0.5 0.6 0.7 0.7 0.6
0
0.7 0.8 0.7 0.8 0.7 0.7 0.9 0.8 0.8 0.7 0.8 0.8 0.9 0.8 0.9 0.9
[1] 2aim.a 0.5 0.7 0.6 0.7 0.6 0.7 0.8 0.8 0.8 0.7 0.7 0.7
0
0.8 0.9 0.9 0.8 0.9 0.8 0.8 0.9 0.8 0.8 0.8 0.9 0.9 0.9 0.9
[1] 2oz2.a 0.7 0.8 0.8 0.7 0.8 0.6 0.8 0.6 0.7 0.8 0.8 0.8 0.8
0
0.7 0.7 0.9 0.7 0.2 0.8 0.3 0.7 0.7 0.9 0.9 0.8 0.9 0.6
[1] 3hd3.a 0.8 0.9 0.8 0.7 0.9 0.6 0.8 0.6 0.8 0.8 0.8 0.7 0.9 0.7
0
0.9 0.8 0.9 0.8 0.8 0.7 0.7 0.9 0.8 0.9 0.8 0.9 0.9
[1] 3i06.a 0.8 0.8 0.9 0.9 0.9 0.8 0.7 0.8 0.7 0.9 0.8 0.8 0.9 0.7 0.9
0
0.9 0.3 0.7 0.8 0.6 0.7 0.6 0.9 1.0 0.8 0.9 0.9
[1] 3iut.a 0.7 0.6 0.7 0.7 0.7 0.8 0.7 0.8 0.7 0.7 0.6 0.7 0.8 0.9 0.8 0.9
0
0.9 1.0 0.6 0.9 0.7 0.8 0.6 0.8 0.7 0.8 1.1
[1] 3kku.a 0.8 0.8 0.9 0.9 0.9 0.8 0.7 0.8 0.7 0.9 0.7 0.7 0.9 0.7 0.9 0.3 0.9
0
0.7 0.8 0.7 0.7 0.6 0.8 1.0 0.8 0.9 0.9
[1] 3lxs.a 0.7 0.9 0.9 0.7 0.8 0.6 0.8 0.7 0.7 0.8 0.9 0.9 0.8 0.2 0.8 0.7 1.0 0.7
0
0.8 0.3 0.7 0.7 0.9 1.0 0.9 0.9 0.6
[1] 4klb.a 0.8 0.7 0.8 0.7 0.8 0.8 0.7 0.8 0.6 0.7 0.7 0.8 0.8 0.8 0.8 0.8 0.6 0.8 0.8
0
0.8 0.6 0.7 0.5 0.6 0.6 0.7 0.9
[1] 4pi3.a 0.7 0.9 0.9 0.7 0.8 0.6 0.8 0.6 0.7 0.8 0.9 0.8 0.9 0.3 0.7 0.6 0.9 0.7 0.3 0.8
0
0.7 0.7 0.8 0.9 0.8 0.9 0.6
[1] 4qh6.a 0.7 0.7 0.8 0.7 0.7 0.7 0.7 0.8 0.7 0.8 0.6 0.7 0.8 0.7 0.7 0.7 0.7 0.7 0.7 0.6 0.7
0
0.5 0.6 0.8 0.5 0.7 0.8
[1] 4qh6.c 0.7 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.7 0.9 0.7 0.8 0.8 0.7 0.9 0.6 0.8 0.6 0.7 0.7 0.7 0.5
0
0.7 0.8 0.7 0.7 0.8
[1] 4w5b.a 0.8 0.8 0.8 0.7 0.8 0.8 0.8 0.8 0.7 0.8 0.7 0.8 0.8 0.9 0.8 0.9 0.6 0.8 0.9 0.5 0.8 0.6 0.7
0
0.7 0.6 0.7 0.9
[1] 4w5c.a 0.9 0.9 0.9 0.8 0.9 0.9 1.0 0.9 0.8 0.9 0.9 0.9 0.9 0.9 0.9 1.0 0.8 1.0 1.0 0.6 0.9 0.8 0.8 0.7
0
0.6 0.7 1.0
[1] 4w5c.b 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.7 0.8 0.8 0.8 0.9 0.8 0.8 0.8 0.7 0.8 0.9 0.6 0.8 0.5 0.7 0.6 0.6
0
0.5 0.9
[1] 4w5c.c 0.8 0.8 0.9 0.9 0.9 0.9 0.9 0.9 0.8 0.9 0.8 0.9 0.9 0.9 0.9 0.9 0.8 0.9 0.9 0.7 0.9 0.7 0.7 0.7 0.7 0.5
0
1.0
[1] 4xui.a 0.8 1.0 0.9 0.8 0.9 0.7 0.9 0.7 0.8 0.9 1.0 0.9 0.9 0.6 0.9 0.9 1.1 0.9 0.6 0.9 0.6 0.8 0.8 0.9 1.0 0.9 1.0
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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