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CASP7_HUMAN_52_303_catalytic

Caspase-7 [Peptidase C14A family]

Composition of the binding site

Protein chains monomer
A1 (CASP7_HUMAN):85:88, 143:145, 184:191, 227:237, 239, 240, 243, 273:282, 28485:88, 143:145, 184:191, 227:237, 239, 240, 243, 273:282, 284

Full PDB list

1f1j, 1gqf, 1i4o, 1i51, 1k86, 1k88, 1kmc, 1shj, 1shl, 2ql5, 2ql7, 2ql9, 2qlb, 2qlf, 2qlj, 3edr, 3h1p, 3ibc, 3ibf, 3r5k, 4fdl, 4hq0, 4hqr, 4jj8, 4jr1, 4jr2, 4lsz, 4zvo, 4zvp, 4zvq, 4zvr, 4zvs, 4zvt, 4zvu, 5ic6, 5k20, 5v6u (redundant Pocketome entry); 4jb8 (unprocessed)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
R
8
7
S
1
4
3
H
1
4
4
G
1
4
5
Q
1
8
4
A
1
8
5
C
1
8
6
Y
2
3
0
S
2
3
1
W
2
3
2
R
2
3
3
S
2
3
4
P
2
3
5
G
2
3
6
R
2
3
7
W
2
4
0
S
2
7
5
Q
2
7
6
S
2
7
7
D
2
7
8
D
2
7
9
F
2
8
2
[1]1f1j.b aceDEVasj35 . . . . . . * . . . . . . . . . . . . . . .
[1]1i4o.a L-VVDIS44 . . . . . . . . . . . . . . . . . . . . . .
[1]1i4o.b VVDIS36 . . . . . . . . . . . . . . . . . . . . . .
[1]1i51.a QVVDISD53 . . . . . . . . . . . . . . . . . . . . . .
[1]1kmc.a VVDIS36 . . . . . . A . . . . . . . . . . . . . . .
[1]2ql5.a aceDMQasj36 . . . . . . . . . . . . . . . . . . . . . .
[1]2ql7.a aceIEPasj35 . . . . . . . . . . . . . . . . . . . . . .
[1]2ql9.c aceDQMasj36 . . . . . . . . . . . . . . . . . . . . . .
[1]2qlb.a aceESMasj34 . . . . . . . . . . . . . . . . . . . . . .
[1]2qlf.a aceDNLasj35 . . . . . . . . . . . . . . . . . . . . . .
[1]2qlj.c aceWEHasj44 . . . . . . . . . . . . . . . . . . . . . .
[1]3edr.c aceLDESasj42 . . . . . . . . . . . . . . . . . . . . . .
[1]3ibc.c aceYVAD35 . . . . . . . . . . . . . . . . . . . . . .
[1]4jj8.a ace.1mhDb3l.hlx.1u849 . . . . . . * . . . . . . . . . . . . . . .
[1]4jr1.b aceDEVakz.0qe36 . . . . . . . . . . . . . . . . . . . . . .
[1]4jr2.b aceDEVD0qe36 . . . . . . . . . . . . . . . . . . . . . .
[1]4zvo.a aceVEIasj35 . . . . . . . V . Y . V . . . . . D . . . .
[1]4zvp.c aceDEVasa35 . . . . . . . V . M . . . . . . . C . . . .
[1]4zvq.a aceVEIasa35 . . . . . . . V . M . . . . . . . C . . . .
[1]4zvr.a aceDEVasj35 . . . . . . . V . Y . V . . . . . D . . . .
[1]4zvs.a aceDEVasj35 . . . . . . . A . M . N . . . . . . . . . .
[1]4zvt.a aceVEIasj35 . . . . . . . A . M . N . . . . . . . . . .
[1]4zvu.a aceVEIasj35 . . . . . . . . . . . . . . . . . . . . . .
[1]5ic6.a DEVmke34 . . . . . . . . . . . . . . . . . . . . . .
[1]5k20.c none . . . . . . . . . . . . . . . . . . . . . .
[2]1gqf.b none . . . . . . A . . - - - - . . . - - - - - -
[3]1k86.b 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
G
8
5
V
8
6
R
8
7
N
8
8
S
1
4
3
H
1
4
4
G
1
4
5
Q
1
8
4
A
1
8
5
C
1
8
6
R
1
8
7
G
1
8
8
T
1
8
9
E
1
9
0
L
1
9
1
P
2
2
7
G
2
2
8
Y
2
2
9
Y
2
3
0
S
2
3
1
W
2
3
2
R
2
3
3
S
2
3
4
P
2
3
5
G
2
3
6
R
2
3
7
S
2
3
9
W
2
4
0
Q
2
4
3
F
2
7
3
E
2
7
4
S
2
7
5
Q
2
7
6
S
2
7
7
D
2
7
8
D
2
7
9
P
2
8
0
H
2
8
1
F
2
8
2
E
2
8
4
[1]1f1j.b . . . . . . . . . * . . . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]1i4o.a . . . . . . . . . * . . . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]1i4o.b . . . . . . . . . * . . . . . . . . * . * * . . . . . . . . . . . . . . . . . .
[1]1i51.a . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]1kmc.a . . . . . . . . . A . . . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]2ql5.a . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . * . . . . . . .
[1]2ql7.a . . . . . . . . . . . . . . . . . . * . * . . . . . . . . . . . . . . . . . * .
[1]2ql9.c . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . .
[1]2qlb.a . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . * . . . . . . .
[1]2qlf.a . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]2qlj.c . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]3edr.c . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]3ibc.c . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4jj8.a . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . * . . . . . . .
[1]4jr1.b . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]4jr2.b . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]4zvo.a . . . . . . . . . . . . . . . . . . V . Y . V . . . . . . . . . D . . . . . * .
[1]4zvp.c . . . . . . . . . . . . . . . . . . V . M . . . . . . . . . . . C . . . . . . .
[1]4zvq.a . . . . . . . . . . . . . . . . . . V . M . . . . . . . . . . . C . . . . . . .
[1]4zvr.a . . . . . . . . . . . . . . . . . . V . Y . V . . . . . . . . . D . . . . . . .
[1]4zvs.a . . . . . . . . . . . . . . . . . . A . M . N . . . . . . . . . . . . . . . . .
[1]4zvt.a . . . . . . . . . . . . . . . . . . A . M . N . . . . . . . . . . . . . . . * .
[1]4zvu.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ic6.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5k20.c . . . . . . . . . . . . . . . . . . * . . * . * . . E . . . . . . . . . . . . .
[2]1gqf.b . . . . . . . . . A * * * - - . * * * * - - - - . . . . . . . - - - - - - - - .
[3]1k86.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

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
1f1j.b:aceDEVasj
1i4o.a:L-VVDIS
1i4o.b:VVDIS
1i51.a:QVVDISD
1kmc.a:VVDIS
2ql5.a:aceDMQasj
2ql7.a:aceIEPasj
2ql9.c:aceDQMasj
2qlb.a:aceESMasj
2qlf.a:aceDNLasj
2qlj.c:aceWEHasj
3edr.c:aceLDESasj
3ibc.c:aceYVAD
4jj8.a:ace.1mhDb3l.hlx.1u8
4jr1.b:aceDEVakz.0qe
4jr2.b:aceDEVD0qe
4zvo.a:aceVEIasj
4zvp.c:aceDEVasa
4zvq.a:aceVEIasa
4zvr.a:aceDEVasj
4zvs.a:aceDEVasj
4zvt.a:aceVEIasj
4zvu.a:aceVEIasj
5ic6.a:DEVmke
5k20.c is apo
1gqf.b is apo
1k86.b is apo
[1] 1f1j.b
0.5
1.9 0.9 0.5 0.5 0.6 0.9 0.6 0.6 0.8 0.8 0.9 0.8 1.2 0.7 0.4 1.4 0.5 1.0 0.4 0.4 1.2 0.5 0.8 - - -
[1] 1i4o.a 3.7
0.2
0.4 0.1 0.2 3.2 3.8 3.4 3.4 3.4 4.2 3.4 3.6 3.2 3.5 3.5 4.4 3.8 4.4 3.4 3.7 4.8 3.7 3.8 - - -
[1] 1i4o.b 3.7 0.1
0.1
0 0.1 3.2 4.1 3.8 3.8 4.2 4.0 3.3 3.5 3.7 3.7 3.6 4.7 3.9 4.4 3.7 3.8 5.1 3.8 3.3 - - -
[1] 1i51.a 3.2 0.7 0.7
0.2
0.4 3.0 3.0 3.2 3.1 3.5 2.9 3.0 3.1 3.3 3.3 3.0 4.1 3.3 4.3 3.2 3.2 4.9 3.1 3.0 - - -
[1] 1kmc.a 3.0 0.1 0.3 0
0
2.6 2.9 2.6 2.8 3.0 2.9 3.0 2.6 2.4 3.0 2.8 3.5 3.1 3.9 3.1 2.8 3.7 3.2 3.0 - - -
[1] 2ql5.a 0.1 2.0 1.4 0.8 1.0
0
0.5 0.2 0.3 0.1 0.9 0 0.2 0.4 0.1 0.1 1.1 0.2 0.5 0 0.1 0.3 0.2 0.3 - - -
[1] 2ql7.a 1.3 2.9 2.9 2.0 2.0 1.3
0
1.6 1.1 1.0 0.2 0 0.1 1.6 1.0 0.8 1.0 0.8 1.3 0.6 0.9 1.6 0.8 1.0 - - -
[1] 2ql9.c 0 2.3 1.7 1.2 1.3 0.1 0.5
0
0.1 0 1.8 0.1 0.5 0.3 0.2 0 0.8 0.1 0.4 0 0.1 0.4 0.1 0.1 - - -
[1] 2qlb.a 0 1.8 1.2 0.9 0.8 0 0.4 0
0
0.1 1.1 0 0.1 0.4 0.1 0.2 0.7 0.2 0.5 0 0 0.4 0.1 0.3 - - -
[1] 2qlf.a 0 1.7 0.7 0.8 0.5 0 0.5 0 0.1
0
1.0 0.1 0.1 0.4 0.1 0.1 0.9 0.2 0.3 0 0 0.4 0 0.1 - - -
[1] 2qlj.c 0.4 1.6 0.2 0.1 0.3 0.2 0.2 0.4 0.5 0.5
0
0 0.1 0.4 0.3 0.3 0.5 0.3 0.8 0.2 0.4 0.7 0.5 0.5 - - -
[1] 3edr.c 0.2 2.2 1.3 0.8 0.9 0.2 0.4 0.2 0.2 0.1 1.0
0
0.3 0.6 0.2 0 0.7 0.3 0.5 0.2 0 0.8 0.1 0.4 - - -
[1] 3ibc.c 0 0.9 0.6 0.2 0.4 0 0.2 0.2 0.1 0.1 0.1 0
0
0.2 0 0.1 0.4 0.1 0.3 0 0 0.2 0 0.2 - - -
[1] 4jj8.a 0.5 1.3 1.3 1.1 1.6 0.3 0.5 0.4 0.4 0.4 1.3 0.4 0.6
0.5
0.5 0.4 0.5 0.4 0.6 0.4 0.4 0.5 0.4 0.6 - - -
[1] 4jr1.b 0.3 1.6 0.5 0.3 0.3 0.5 1.0 0.5 0.7 0.7 1.1 0.7 0.9 0.8
0.5
0.3 1.1 0.5 0.7 0.4 0.3 0.7 0.5 0.5 - - -
[1] 4jr2.b 0.5 2.2 0.6 0.4 0.6 0.4 1.2 0.8 0.9 0.8 1.0 0.7 0.9 0.8 0.6
0.4
1.4 0.5 0.9 0.4 0.5 0.9 0.8 0.6 - - -
[1] 4zvo.a 0.4 2.3 2.2 2.2 2.1 1.6 0 1.7 1.0 0.7 0.3 0.1 0.1 1.2 0.1 0.1
0
0.2 0.3 0.2 0.1 0.4 0 0.3 - - -
[1] 4zvp.c 0 0.8 0.7 0.8 0.7 0 0.1 0.4 0.5 0.2 0.3 0.2 0.1 0.4 0.2 0 0
0
0 0 0 0.1 0 0.2 - - -
[1] 4zvq.a 0.1 0.4 0.6 0.4 0.5 0.1 0 0.4 0.5 0.2 0.1 0.1 0.1 0.3 0.1 0 0 0.1
0
0 0 0.1 0 0.2 - - -
[1] 4zvr.a 0.4 1.2 0.8 0.6 0.8 0.2 0.3 0.4 0.5 0.3 0.9 0.1 0.3 0.5 0.3 0.1 0 0.1 0.1
0
0.2 0.3 0 0.5 - - -
[1] 4zvs.a 0 1.3 1.8 2.1 1.5 0.2 0.1 0.6 0.5 0.5 0.4 0.1 0.1 0.6 0.2 0.1 0 0.1 0 0
0
0 0 0.1 - - -
[1] 4zvt.a 0 1.6 2.0 2.0 1.8 0.8 0.2 1.2 0.8 0.2 0.3 0 0 1.1 0.1 0.1 0 0.1 0.1 0 0
0
0 0.2 - - -
[1] 4zvu.a 0 0.8 0.1 0 0.1 0 0.4 0 0.1 0 0.1 0 0 0.3 0.3 0.2 0.8 0.1 0.3 0 0 0.3
0
0.3 - - -
[1] 5ic6.a 0.1 1.5 0.5 0.5 0.5 0.2 0.5 0.2 0.1 0 1.2 0.4 0.6 0.2 0.2 0.1 0.8 0.3 0.5 0 0.2 0.6 0.3
0.1
- - -
[1] 5k20.c 4.4 2.3 2.7 4.2 2.6 4.0 4.3 4.4 4.0 5.3 4.3 5.8 4.9 2.8 4.0 4.1 4.3 4.7 4.6 4.9 4.3 5.5 4.3 5.0
-
- -
[2] 1gqf.b 10 7.3 4.8 5.5 4.7 8.9 10 9.3 9.0 8.6 9.6 9.0 8.6 8.2 11 9.8 9.8 10 10 9.0 9.7 10 10 9.4 -
-
-
[3] 1k86.b 8.7 8.9 3.6 4.5 4.0 7.9 10 9.0 8.7 8.6 9.6 9.3 8.4 7.0 9.8 9.5 10 8.9 9.4 8.7 8.5 9.9 9.5 9.3 - -
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (3 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
1f1j.b
1i4o.a
1i4o.b
1i51.a
1kmc.a
2ql5.a
2ql7.a
2ql9.c
2qlb.a
2qlf.a
2qlj.c
3edr.c
3ibc.c
4jj8.a
4jr1.b
4jr2.b
4zvo.a
4zvp.c
4zvq.a
4zvr.a
4zvs.a
4zvt.a
4zvu.a
5ic6.a
5k20.c
1gqf.b
1k86.b
[1] 1f1j.b
0
.11 .13 .15 .11 .05 .11 .08 .06 .05 .07 .04 .06 .06 .05 .03 .12 .08 .08 .08 .08 .10 .07 .05 .24 .40 .43
[1] 1i4o.a .11
0
.03 .05 .03 .10 .17 .14 .11 .10 .10 .10 .11 .13 .09 .10 .18 .14 .14 .14 .16 .17 .10 .12 .16 .35 .38
[1] 1i4o.b .13 .03
0
.05 .05 .13 .17 .17 .14 .13 .10 .13 .13 .15 .12 .13 .19 .16 .15 .17 .18 .19 .12 .15 .16 .35 .35
[1] 1i51.a .15 .05 .05
0
.05 .13 .15 .15 .13 .13 .10 .13 .13 .16 .13 .15 .18 .15 .14 .16 .17 .18 .11 .14 .16 .37 .38
[1] 1kmc.a .11 .03 .05 .05
0
.09 .15 .13 .10 .08 .08 .09 .10 .13 .09 .10 .17 .12 .12 .13 .15 .15 .09 .11 .15 .35 .38
[1] 2ql5.a .05 .10 .13 .13 .09
0
.10 .04 .01 .02 .04 .01 .05 .05 .05 .05 .12 .07 .07 .07 .08 .10 .04 .03 .21 .41 .45
[1] 2ql7.a .11 .17 .17 .15 .15 .10
0
.13 .11 .10 .08 .10 .10 .14 .11 .11 .07 .11 .10 .12 .10 .08 .10 .12 .26 .45 .43
[1] 2ql9.c .08 .14 .17 .15 .13 .04 .13
0
.04 .05 .08 .05 .06 .04 .07 .07 .12 .08 .08 .08 .09 .11 .06 .03 .24 .43 .47
[1] 2qlb.a .06 .11 .14 .13 .10 .01 .11 .04
0
.02 .05 .02 .04 .04 .04 .05 .11 .07 .07 .06 .08 .10 .05 .03 .21 .40 .46
[1] 2qlf.a .05 .10 .13 .13 .08 .02 .10 .05 .02
0
.04 .01 .05 .06 .04 .04 .11 .07 .07 .07 .08 .10 .04 .03 .20 .40 .45
[1] 2qlj.c .07 .10 .10 .10 .08 .04 .08 .08 .05 .04
0
.04 .04 .07 .04 .06 .10 .06 .06 .08 .09 .09 .03 .05 .19 .37 .42
[1] 3edr.c .04 .10 .13 .13 .09 .01 .10 .05 .02 .01 .04
0
.04 .06 .04 .03 .11 .06 .06 .07 .07 .09 .04 .03 .20 .40 .45
[1] 3ibc.c .06 .11 .13 .13 .10 .05 .10 .06 .04 .05 .04 .04
0
.05 .05 .06 .07 .03 .03 .05 .05 .06 .02 .03 .21 .39 .45
[1] 4jj8.a .06 .13 .15 .16 .13 .05 .14 .04 .04 .06 .07 .06 .05
0
.05 .07 .11 .06 .06 .07 .07 .09 .06 .04 .26 .40 .47
[1] 4jr1.b .05 .09 .12 .13 .09 .05 .11 .07 .04 .04 .04 .04 .05 .05
0
.03 .11 .07 .07 .07 .09 .10 .05 .04 .21 .37 .43
[1] 4jr2.b .03 .10 .13 .15 .10 .05 .11 .07 .05 .04 .06 .03 .06 .07 .03
0
.12 .08 .08 .07 .09 .11 .06 .04 .21 .40 .43
[1] 4zvo.a .12 .18 .19 .18 .17 .12 .07 .12 .11 .11 .10 .11 .07 .11 .11 .12
0
.06 .05 .06 .04 .02 .08 .09 .26 .44 .48
[1] 4zvp.c .08 .14 .16 .15 .12 .07 .11 .08 .07 .07 .06 .06 .03 .06 .07 .08 .06
0
.01 .03 .03 .04 .04 .06 .23 .40 .46
[1] 4zvq.a .08 .14 .15 .14 .12 .07 .10 .08 .07 .07 .06 .06 .03 .06 .07 .08 .05 .01
0
.04 .04 .04 .04 .06 .23 .39 .46
[1] 4zvr.a .08 .14 .17 .16 .13 .07 .12 .08 .06 .07 .08 .07 .05 .07 .07 .07 .06 .03 .04
0
.03 .05 .06 .05 .23 .43 .47
[1] 4zvs.a .08 .16 .18 .17 .15 .08 .10 .09 .08 .08 .09 .07 .05 .07 .09 .09 .04 .03 .04 .03
0
.03 .07 .06 .26 .43 .49
[1] 4zvt.a .10 .17 .19 .18 .15 .10 .08 .11 .10 .10 .09 .09 .06 .09 .10 .11 .02 .04 .04 .05 .03
0
.07 .08 .26 .43 .49
[1] 4zvu.a .07 .10 .12 .11 .09 .04 .10 .06 .05 .04 .03 .04 .02 .06 .05 .06 .08 .04 .04 .06 .07 .07
0
.03 .20 .39 .44
[1] 5ic6.a .05 .12 .15 .14 .11 .03 .12 .03 .03 .03 .05 .03 .03 .04 .04 .04 .09 .06 .06 .05 .06 .08 .03
0
.22 .40 .46
[1] 5k20.c .24 .16 .16 .16 .15 .21 .26 .24 .21 .20 .19 .20 .21 .26 .21 .21 .26 .23 .23 .23 .26 .26 .20 .22
0
.48 .46
[2] 1gqf.b .40 .35 .35 .37 .35 .41 .45 .43 .40 .40 .37 .40 .39 .40 .37 .40 .44 .40 .39 .43 .43 .43 .39 .40 .48
0
.49
[3] 1k86.b .43 .38 .35 .38 .38 .45 .43 .47 .46 .45 .42 .45 .45 .47 .43 .43 .48 .46 .46 .47 .49 .49 .44 .46 .46 .49
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 2.6 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
1f1j.b
1i4o.a
1i4o.b
1i51.a
1kmc.a
2ql5.a
2ql7.a
2ql9.c
2qlb.a
2qlf.a
2qlj.c
3edr.c
3ibc.c
4jj8.a
4jr1.b
4jr2.b
4zvo.a
4zvp.c
4zvq.a
4zvr.a
4zvs.a
4zvt.a
4zvu.a
5ic6.a
5k20.c
1gqf.b
1k86.b
[1] 1f1j.b
0
0.5 0.4 22 0.5 22 22 21 22 21 22 22 22 0.5 1.2 0.3 22 21 21 22 22 22 22 21 22 7.1 3.0
[1] 1i4o.a 0.5
0
0.4 22 0.3 21 22 21 22 21 22 22 22 0.6 1.4 0.6 22 21 21 22 21 21 22 21 22 7.0 3.0
[1] 1i4o.b 0.4 0.4
0
22 0.4 21 22 21 22 21 22 22 22 0.5 1.3 0.5 22 21 21 22 22 21 22 21 22 7.0 3.0
[1] 1i51.a 22 22 22
0
22 0.6 0.6 0.5 0.4 0.5 0.7 0.5 0.6 22 22 22 1.8 0.6 0.6 0.6 0.5 0.5 0.5 0.8 1.2 25 23
[1] 1kmc.a 0.5 0.3 0.4 22
0
21 21 21 22 21 22 22 22 0.6 1.3 0.5 22 21 21 22 21 21 22 21 22 7.1 3.1
[1] 2ql5.a 22 21 21 0.6 21
0
0.4 0.3 0.4 0.3 0.9 0.5 0.8 21 21 22 1.9 0.4 0.3 0.7 0.5 0.5 0.6 0.5 1.4 25 22
[1] 2ql7.a 22 22 22 0.6 21 0.4
0
0.5 0.5 0.5 0.9 0.6 0.8 22 21 22 1.9 0.4 0.4 0.6 0.3 0.5 0.6 0.6 1.4 25 22
[1] 2ql9.c 21 21 21 0.5 21 0.3 0.5
0
0.3 0.3 0.7 0.3 0.7 21 21 22 1.9 0.4 0.5 0.6 0.4 0.6 0.5 0.4 1.3 25 22
[1] 2qlb.a 22 22 22 0.4 22 0.4 0.5 0.3
0
0.3 0.6 0.4 0.6 22 22 22 1.9 0.5 0.5 0.5 0.4 0.5 0.3 0.6 1.2 25 23
[1] 2qlf.a 21 21 21 0.5 21 0.3 0.5 0.3 0.3
0
0.8 0.5 0.7 21 21 22 1.9 0.5 0.5 0.6 0.4 0.5 0.5 0.6 1.4 25 22
[1] 2qlj.c 22 22 22 0.7 22 0.9 0.9 0.7 0.6 0.8
0
0.5 0.3 22 22 22 2.2 0.9 1.0 0.8 0.8 0.9 0.5 1.0 1.1 25 23
[1] 3edr.c 22 22 22 0.5 22 0.5 0.6 0.3 0.4 0.5 0.5
0
0.4 22 22 22 2.0 0.6 0.7 0.5 0.5 0.7 0.4 0.6 1.1 25 23
[1] 3ibc.c 22 22 22 0.6 22 0.8 0.8 0.7 0.6 0.7 0.3 0.4
0
22 22 22 2.1 0.8 0.9 0.7 0.7 0.8 0.5 0.9 1.0 25 23
[1] 4jj8.a 0.5 0.6 0.5 22 0.6 21 22 21 22 21 22 22 22
0
1.1 0.6 22 21 21 22 22 22 22 21 22 7.1 3.0
[1] 4jr1.b 1.2 1.4 1.3 22 1.3 21 21 21 22 21 22 22 22 1.1
0
1.2 21 21 21 22 21 21 22 21 22 7.1 3.1
[1] 4jr2.b 0.3 0.6 0.5 22 0.5 22 22 22 22 22 22 22 22 0.6 1.2
0
22 21 22 22 22 22 22 21 22 7.1 3.1
[1] 4zvo.a 22 22 22 1.8 22 1.9 1.9 1.9 1.9 1.9 2.2 2.0 2.1 22 21 22
0
1.9 1.8 1.9 1.8 1.7 2.0 2.0 2.3 25 22
[1] 4zvp.c 21 21 21 0.6 21 0.4 0.4 0.4 0.5 0.5 0.9 0.6 0.8 21 21 21 1.9
0
0.3 0.7 0.4 0.5 0.7 0.5 1.4 25 22
[1] 4zvq.a 21 21 21 0.6 21 0.3 0.4 0.5 0.5 0.5 1.0 0.7 0.9 21 21 22 1.8 0.3
0
0.8 0.5 0.5 0.7 0.5 1.5 25 22
[1] 4zvr.a 22 22 22 0.6 22 0.7 0.6 0.6 0.5 0.6 0.8 0.5 0.7 22 22 22 1.9 0.7 0.8
0
0.5 0.7 0.6 0.8 1.3 25 23
[1] 4zvs.a 22 21 22 0.5 21 0.5 0.3 0.4 0.4 0.4 0.8 0.5 0.7 22 21 22 1.8 0.4 0.5 0.5
0
0.4 0.6 0.6 1.3 25 22
[1] 4zvt.a 22 21 21 0.5 21 0.5 0.5 0.6 0.5 0.5 0.9 0.7 0.8 22 21 22 1.7 0.5 0.5 0.7 0.4
0
0.6 0.8 1.4 25 22
[1] 4zvu.a 22 22 22 0.5 22 0.6 0.6 0.5 0.3 0.5 0.5 0.4 0.5 22 22 22 2.0 0.7 0.7 0.6 0.6 0.6
0
0.7 1.1 25 23
[1] 5ic6.a 21 21 21 0.8 21 0.5 0.6 0.4 0.6 0.6 1.0 0.6 0.9 21 21 21 2.0 0.5 0.5 0.8 0.6 0.8 0.7
0
1.5 25 22
[1] 5k20.c 22 22 22 1.2 22 1.4 1.4 1.3 1.2 1.4 1.1 1.1 1.0 22 22 22 2.3 1.4 1.5 1.3 1.3 1.4 1.1 1.5
0
26 23
[2] 1gqf.b 7.1 7.0 7.0 25 7.1 25 25 25 25 25 25 25 25 7.1 7.1 7.1 25 25 25 25 25 25 25 25 26
0
6.2
[3] 1k86.b 3.0 3.0 3.0 23 3.1 22 22 22 23 22 23 23 23 3.0 3.1 3.1 22 22 22 23 22 22 23 22 23 6.2
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 2.0 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
1f1j.b
1i4o.a
1i4o.b
1i51.a
1kmc.a
2ql5.a
2ql7.a
2ql9.c
2qlb.a
2qlf.a
2qlj.c
3edr.c
3ibc.c
4jj8.a
4jr1.b
4jr2.b
4zvo.a
4zvp.c
4zvq.a
4zvr.a
4zvs.a
4zvt.a
4zvu.a
5ic6.a
5k20.c
1gqf.b
1k86.b
[1] 1f1j.b
0
1.2 1.2 21 1.1 21 21 21 21 21 21 21 21 1.1 2.0 1.0 21 21 21 21 21 21 21 20 21 7.0 3.8
[1] 1i4o.a 1.2
0
0.8 21 0.5 21 21 21 21 21 21 21 21 1.4 2.1 1.3 22 21 21 22 21 21 21 21 22 7.0 3.7
[1] 1i4o.b 1.2 0.8
0
21 0.5 21 21 21 21 21 21 21 21 1.2 2.0 1.3 22 21 21 22 22 22 21 21 22 7.0 3.7
[1] 1i51.a 21 21 21
0
21 1.3 1.2 1.3 1.2 1.2 1.4 1.3 1.5 21 21 21 2.6 1.2 1.1 1.3 1.1 1.2 1.2 1.5 1.6 25 22
[1] 1kmc.a 1.1 0.5 0.5 21
0
21 21 21 21 21 21 21 21 1.3 1.9 1.2 22 22 22 22 22 22 21 21 22 7.2 3.5
[1] 2ql5.a 21 21 21 1.3 21
0
0.9 0.8 0.6 0.6 1.2 0.8 1.2 21 20 21 2.5 0.8 0.6 1.0 0.7 0.8 0.7 0.8 1.7 25 22
[1] 2ql7.a 21 21 21 1.2 21 0.9
0
1.0 0.9 0.9 1.3 1.0 1.2 21 21 21 2.6 0.9 0.8 1.1 0.8 0.9 1.0 1.1 1.8 25 22
[1] 2ql9.c 21 21 21 1.3 21 0.8 1.0
0
0.6 0.7 1.0 0.5 0.9 21 20 21 2.6 0.6 0.7 1.0 0.7 0.9 0.8 0.6 1.6 25 22
[1] 2qlb.a 21 21 21 1.2 21 0.6 0.9 0.6
0
0.5 1.0 0.7 1.0 21 21 21 2.6 0.8 0.6 0.9 0.6 0.8 0.6 0.8 1.6 25 22
[1] 2qlf.a 21 21 21 1.2 21 0.6 0.9 0.7 0.5
0
1.1 0.8 1.1 21 20 21 2.6 0.8 0.7 1.0 0.7 0.8 0.7 0.8 1.7 25 21
[1] 2qlj.c 21 21 21 1.4 21 1.2 1.3 1.0 1.0 1.1
0
0.8 0.4 21 21 21 2.9 1.1 1.2 1.2 1.2 1.3 0.9 1.1 1.5 25 22
[1] 3edr.c 21 21 21 1.3 21 0.8 1.0 0.5 0.7 0.8 0.8
0
0.8 21 21 21 2.7 0.7 0.8 0.9 0.7 0.9 0.7 0.7 1.5 25 22
[1] 3ibc.c 21 21 21 1.5 21 1.2 1.2 0.9 1.0 1.1 0.4 0.8
0
21 21 21 2.8 1.0 1.1 1.1 1.1 1.2 0.9 1.1 1.5 25 22
[1] 4jj8.a 1.1 1.4 1.2 21 1.3 21 21 21 21 21 21 21 21
0
2.0 1.2 21 21 21 21 21 21 21 20 21 7.0 3.9
[1] 4jr1.b 2.0 2.1 2.0 21 1.9 20 21 20 21 20 21 21 21 2.0
0
2.1 21 21 21 21 21 21 21 20 21 7.0 4.1
[1] 4jr2.b 1.0 1.3 1.3 21 1.2 21 21 21 21 21 21 21 21 1.2 2.1
0
21 21 21 21 21 21 21 21 21 7.1 3.9
[1] 4zvo.a 21 22 22 2.6 22 2.5 2.6 2.6 2.6 2.6 2.9 2.7 2.8 21 21 21
0
2.5 2.5 2.4 2.5 2.4 2.6 2.7 2.9 25 22
[1] 4zvp.c 21 21 21 1.2 22 0.8 0.9 0.6 0.8 0.8 1.1 0.7 1.0 21 21 21 2.5
0
0.7 1.0 0.7 0.8 0.9 0.7 1.6 25 22
[1] 4zvq.a 21 21 21 1.1 22 0.6 0.8 0.7 0.6 0.7 1.2 0.8 1.1 21 21 21 2.5 0.7
0
1.0 0.5 0.7 0.8 0.8 1.7 25 22
[1] 4zvr.a 21 22 22 1.3 22 1.0 1.1 1.0 0.9 1.0 1.2 0.9 1.1 21 21 21 2.4 1.0 1.0
0
0.7 0.9 0.9 1.1 1.6 25 22
[1] 4zvs.a 21 21 22 1.1 22 0.7 0.8 0.7 0.6 0.7 1.2 0.7 1.1 21 21 21 2.5 0.7 0.5 0.7
0
0.6 0.7 0.9 1.5 25 22
[1] 4zvt.a 21 21 22 1.2 22 0.8 0.9 0.9 0.8 0.8 1.3 0.9 1.2 21 21 21 2.4 0.8 0.7 0.9 0.6
0
0.8 1.0 1.6 25 22
[1] 4zvu.a 21 21 21 1.2 21 0.7 1.0 0.8 0.6 0.7 0.9 0.7 0.9 21 21 21 2.6 0.9 0.8 0.9 0.7 0.8
0
0.9 1.5 25 22
[1] 5ic6.a 20 21 21 1.5 21 0.8 1.1 0.6 0.8 0.8 1.1 0.7 1.1 20 20 21 2.7 0.7 0.8 1.1 0.9 1.0 0.9
0
1.7 25 21
[1] 5k20.c 21 22 22 1.6 22 1.7 1.8 1.6 1.6 1.7 1.5 1.5 1.5 21 21 21 2.9 1.6 1.7 1.6 1.5 1.6 1.5 1.7
0
25 22
[2] 1gqf.b 7.0 7.0 7.0 25 7.2 25 25 25 25 25 25 25 25 7.0 7.0 7.1 25 25 25 25 25 25 25 25 25
0
6.2
[3] 1k86.b 3.8 3.7 3.7 22 3.5 22 22 22 22 21 22 22 22 3.9 4.1 3.9 22 22 22 22 22 22 22 21 22 6.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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