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CBPB1_PIG_192_416

Carboxypeptidase B [Peptidase M14 family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CBPB1_PIG):R: Substrate binding (176, 178, 179)
R: Substrate binding (251, 252)
R: Substrate binding (305, 306)
28, 50:61, 67:70, 232, 234, 262, 270, 271, 304, 307, 309, 311, 315, 355:358, 361, 363, 364, 376, 378, 387
28, 50:61, 67:70, 176, 178, 179, 232, 234, 251, 252, 262, 270, 271, 304:307, 309, 311, 315, 355:358, 361, 363, 364, 376, 378, 387
Metals (Me):Zn

Full PDB list

1nsa, 1z5r, 1zg7, 1zg8, 1zg9, 2jew, 2piy, 2piz, 2pj0, 2pj1, 2pj2, 2pj3, 2pj4, 2pj5, 2pj6, 2pj7, 2pj8, 2pj9, 2pja, 2pjb, 2pjc, 3glj, 3wab, 3wc5, 3wc6, 3wc7, 4uia, 4uib, 4z65, 5j1q, 5jc6, 5lrg, 5lrj, 5lrk, 5lyd, 5lyf, 5lyi, 5lyl (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
H
1
7
6
R
1
7
8
E
1
7
9
M
2
3
2
R
2
3
4
N
2
5
1
R
2
5
2
G
2
6
2
E
2
7
0
T
2
7
1
H
3
0
4
S
3
0
5
Y
3
0
6
S
3
0
7
L
3
1
1
S
3
1
5
I
3
5
5
Y
3
5
6
P
3
5
7
A
3
5
8
G
3
6
1
D
3
6
3
T
3
7
6
E
3
7
8
F
3
8
7
[1]1zg7.b p2017 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1zg8.a l9816 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1zg9.a l0613 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2jew.a 72017 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2piy.a 52833 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2piz.c 60627 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2pj0.a 92233 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2pj1.a 57831 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2pj2.a 86431 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2pj3.a 86a33 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2pj4.b 41436 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2pj5.a 11b35 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2pj6.a 05932 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2pj7.b 23530 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2pj8.b 17a36 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2pj9.a 28133 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2pja.b 33z44 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2pjb.a 98344 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2pjc.a 34345 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3wab.a ddw,zn13 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3wc5.a ddk,zn13 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3wc7.a ef129 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4uia.a fh929 . . . . . . . . . . . . . . V . L . L . . . . . . Zn
[1]4uib.a gwx34 . . . . . . . . . . . . . . V . L . L . . . . . . Zn
[1]4z65.a 0x916 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5j1q.a cxa16 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5jc6.a zn1 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5lrg.a 73n.dlyV73o.maaF60 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5lrj.a 73p.dlyV73o.maaF58 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5lrk.c 73n.dly.iil.73o.maaF61 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5lyd.a 7b014 . . . . . . . . . . . . . . V . L . L . . . . . . Zn
[1]5lyf.a 7b631 . . . . . . . . . . . . . . V . L . L . . . . . . Zn
[1]5lyi.a t4f35 . . . . . . . . . . . . . . V . L . L . . . . . . Zn
[1]5lyl.a t5f35 . . . . . . . . . . . . . . V . L . L . . . . . . Zn
[2]1nsa.a ben9 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[2]3glj.a none . . . . . . . . . . . . . . . . . . . . . . . . . Zn

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 Me
F
2
8
I
5
0
D
5
1
F
5
2
W
5
3
K
5
4
P
5
5
D
5
6
S
5
7
V
5
8
T
5
9
Q
6
0
I
6
1
V
6
7
D
6
8
F
6
9
R
7
0
H
1
7
6
R
1
7
8
E
1
7
9
M
2
3
2
R
2
3
4
N
2
5
1
R
2
5
2
G
2
6
2
E
2
7
0
T
2
7
1
H
3
0
4
S
3
0
5
Y
3
0
6
S
3
0
7
M
3
0
9
L
3
1
1
S
3
1
5
I
3
5
5
Y
3
5
6
P
3
5
7
A
3
5
8
G
3
6
1
D
3
6
3
D
3
6
4
T
3
7
6
E
3
7
8
F
3
8
7
[1]1zg7.b - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . * . . . . . . . . Zn
[1]1zg8.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . * . . . . . . . . Zn
[1]1zg9.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2jew.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . * . Zn
[1]2piy.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . * . . . . . . . . Zn
[1]2piz.c - - - - - - - - - - - - - - - - - . . . . . . * . . . . . . . . . . . * . . . . . . . . Zn
[1]2pj0.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2pj1.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . * . . . . . . . . Zn
[1]2pj2.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . * . . . . . . . . Zn
[1]2pj3.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2pj4.b - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2pj5.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2pj6.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . * . . * . . . . . . . . Zn
[1]2pj7.b - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . * . . . . . . . . Zn
[1]2pj8.b - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . * . . . . . . . . Zn
[1]2pj9.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . * . . . . . . . . Zn
[1]2pja.b - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . * . . . . . . . . Zn
[1]2pjb.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . * . . . . . . . . . . . Zn
[1]2pjc.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3wab.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . * . Zn
[1]3wc5.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . * . Zn
[1]3wc7.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4uia.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . H V . L * L . . . . . . . Zn
[1]4uib.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . H V . L . L . . . . . . . Zn
[1]4z65.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . * . Zn
[1]5j1q.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . * . Zn
[1]5jc6.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5lrg.a - - - - - - - - - - - - - - - - - . . . . . . . . * . . . . . . . . . . . . . . . . . . Zn
[1]5lrj.a - - - - - - - - - - - - - - - - - . . . . . . . . * . . . . . . . . . . . . . . . . . . Zn
[1]5lrk.c - - - - - - - - - - - - - - - - - . . . . . . . . * . . . . . . . . . . . . . . . . . . Zn
[1]5lyd.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . H V . L . L . . . . . * . Zn
[1]5lyf.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . H V . L * L . . . . . . . Zn
[1]5lyi.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . H V . L . L . . . . . * . Zn
[1]5lyl.a - - - - - - - - - - - - - - - - - . . . . . . . . . . . . . . H V . L . L . . . . . * . Zn
[2]1nsa.a . . * * * * * * * . . * . * * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[2]3glj.a . . * * * * * * * . . * * * * . * . . . . . . * . . . . . . . . . . . . . . . . . . . . Zn

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
1zg7.b:p20
1zg8.a:l98
1zg9.a:l06
2jew.a:720
2piy.a:528
2piz.c:606
2pj0.a:922
2pj1.a:578
2pj2.a:864
2pj3.a:86a
2pj4.b:414
2pj5.a:11b
2pj6.a:059
2pj7.b:235
2pj8.b:17a
2pj9.a:281
2pja.b:33z
2pjb.a:983
2pjc.a:343
3wab.a:ddw,zn
3wc5.a:ddk,zn
3wc7.a:ef1
4uia.a:fh9
4uib.a:gwx
4z65.a:0x9
5j1q.a:cxa
5jc6.a:zn
5lrg.a:73n.dlyV73o.maaF
5lrj.a:73p.dlyV73o.maaF
5lrk.c:73n.dly.iil.73o.maaF
5lyd.a:7b0
5lyf.a:7b6
5lyi.a:t4f
5lyl.a:t5f
1nsa.a:ben
3glj.a is apo
[1] 1zg7.b
0
0.1 0 0.1 0.7 0.5 0.5 0.3 0.4 0.2 0.3 0.2 0.4 0.4 0.3 0.3 0.3 2.5 0.2 0.2 0.2 0.2 0.3 0 0.2 0.1 0 0.1 0.1 0.3 0.2 0.3 0.2 0.1 1.0 -
[1] 1zg8.a 0.5
0.2
0 0.3 0.9 1.7 0.5 0.8 1.0 0.3 0.4 0.3 1.0 0.9 0.9 0.8 0.3 1.9 0.3 0.4 0.5 0.3 0.4 0.2 0.2 0.1 0.1 0.2 0.7 0.4 0.2 0.3 0.2 0.1 0.7 -
[1] 1zg9.a 0.8 0.3
0
0.2 0.4 0.7 0.6 0.3 0.3 0.4 0.6 0.4 0.4 0.3 0.3 0.2 0.3 1.6 0.4 0.1 0.2 0.1 0.1 0.1 0 0 0.1 0 0.2 0.2 0.1 0 0 0 0.4 -
[1] 2jew.a 1.5 0.7 0.2
0
0.6 0.6 1.1 0.6 0.5 1.0 1.0 1.0 0.8 0.6 0.6 0.6 1.0 0.8 1.0 0.3 0.3 0 0.6 0.5 0.3 0.2 0 0.3 0.6 0.5 0.3 0.4 0.2 0.2 1.5 -
[1] 2piy.a 0.7 0.7 0.2 0.2
0
0.2 0.5 0.1 0 0.4 0.7 0.4 0 0 0 0 0.4 2.3 0.4 0.2 0.3 0.1 0.1 0.4 0.1 0 0.1 0.3 0.4 0.4 0.1 0.1 0.4 0.4 1.0 -
[1] 2piz.c 0.8 0.7 0.3 0.1 0.2
0
0.3 0 0 0.4 0.4 0.3 0.2 0.2 0 0.1 0.3 1.7 0.6 0.3 0.4 0.1 0.4 0.4 0.1 0 0.1 0.3 0.7 0.6 0.1 0.3 0.9 0.6 0.9 -
[1] 2pj0.a 0.1 0.1 0 0.1 0.6 0.9
0
0.5 0.4 0 0.3 0 0.5 0.6 0.4 0.5 0.1 1.5 0.1 0.3 0.2 0.2 0.5 0.1 0 0.1 0.1 0.1 0.4 0.2 0.1 0.3 0.2 0.2 1.1 -
[1] 2pj1.a 0.7 0.8 0.1 0.2 0 0.4 0.4
0
0.1 0.4 0.7 0.4 0 0 0 0 0.5 2.3 0.4 0.2 0.3 0 0.3 0.4 0 0 0.1 0.3 0.4 0.4 0.1 0 0.3 0.3 1.0 -
[1] 2pj2.a 0.8 0.7 0.1 0.2 0.3 0.4 0.4 0
0
0.5 0.5 0.7 0 0.2 0 0.1 0.4 2.4 0.5 0.1 0.1 0 0.1 0.1 0 0 0 0.2 0.3 0.2 0 0.1 0.3 0.2 1.0 -
[1] 2pj3.a 0.1 0 0 0.2 0.6 0.9 0 0.3 0.3
0
0.3 0.1 0.2 0.6 0.3 0.4 0.1 1.6 0.1 0.3 0.4 0.2 0.5 0.1 0.1 0.1 0.1 0.1 0.4 0.2 0.1 0.2 0.2 0.2 1.0 -
[1] 2pj4.b 0.5 0.1 0 0.1 0.4 0.7 0.1 0.2 0.1 0.1
0.1
0.1 0.2 0.2 0.3 0.3 0.2 1.7 0.1 0.2 0.2 0 0.2 0 0.1 0.2 0.1 0 0 0 0.2 0.1 0.2 0.2 1.1 -
[1] 2pj5.a 0.2 0.1 0 0.3 0.6 0.9 0 0.5 0.5 0 0.4
0
0.4 0.5 0.5 0.4 0.1 1.7 0.1 0.3 0.4 0.3 0.5 0 0.1 0.1 0.1 0.1 0.3 0.2 0.1 0.2 0.2 0.2 1.2 -
[1] 2pj6.a 0.8 0.6 0.2 0.3 0 0.3 0.3 0 0 0.4 0.3 0.4
0
0 0 0 0.3 2.3 0.5 0.1 0.1 0 0.1 0.3 0.1 0 0.1 0.2 0.1 0.2 0 0 0.3 0.2 1.0 -
[1] 2pj7.b 1.0 0.5 0.1 0.3 0 0 0.4 0 0 0.4 0.5 0.4 0
0
0 0 0.3 2.4 0.4 0.2 0.3 0.1 0.1 0.4 0.1 0 0.1 0.2 0.2 0.2 0.1 0 0.4 0.3 1.0 -
[1] 2pj8.b 0.7 0.7 0.1 0.2 0 0.1 0.6 0 0 0.5 0.4 0.5 0 0
0
0 0.4 2.3 0.4 0.2 0.2 0.1 0.1 0.3 0.1 0 0.1 0.2 0.1 0.3 0 0.1 0.3 0.3 1.0 -
[1] 2pj9.a 0.7 0.7 0.3 0.2 0 0.2 0.4 0 0 0.5 0.4 0.6 0 0 0
0
0.4 2.3 0.5 0.1 0.2 0 0.1 0 0.2 0.1 0.1 0.2 0 0.2 0 0 0.3 0.2 1.1 -
[1] 2pja.b 0.2 0.1 0 0.2 0.4 0.4 0 0.1 0.1 0 0.2 0 0 0.2 0.2 0.2
0
2.2 0.2 0.2 0.2 0.1 0.2 0.2 0 0 0.1 0.2 0.2 0.2 0 0 0.2 0.2 0.8 -
[1] 2pjb.a 1.1 0.6 0.1 0.2 0 0.2 0.5 0.1 0 0.5 0.7 0.4 0 0 0 0 0.7
0
0.5 0.2 0.4 0.1 0 0.2 0.1 0 0.1 0.2 0.4 0.3 0.1 0 0.3 0.2 0.8 -
[1] 2pjc.a 0.2 0.1 0.1 0.2 0.4 0.7 0 0.3 0.4 0 0.4 0 0.3 0.6 0.3 0.3 0.2 1.6
0
0.4 0.4 0.2 0.6 0.2 0.1 0.1 0.1 0.2 0.6 0.4 0.2 0.3 0.3 0.2 1.0 -
[1] 3wab.a 0.9 0.5 0.2 0.6 1.0 1.2 1.2 0.7 0.4 1.0 1.1 1.1 0.9 0.9 0.7 0.6 0.8 2.2 1.0
0.3
0.3 0.5 0.4 0.3 0.1 0.1 0.2 0.1 0.2 0.2 0 0.2 0 0 1.5 -
[1] 3wc5.a 0.9 0.2 0.1 0.5 0.8 1.3 1.3 0.8 0.4 1.0 0.9 0.9 0.7 0.9 0.8 0.6 0.8 2.2 0.9 0.4
0.4
0.5 0.2 0.2 0.1 0.2 0.2 0.1 0.2 0.2 0.1 0.2 0.1 0.1 1.5 -
[1] 3wc7.a 0.8 0.7 0.1 0.2 0.5 0.7 0.8 0.4 0.3 0.9 0.4 0.6 0.4 0.6 0.5 0.5 0.6 1.8 0.9 0.2 0.2
0.1
0.2 0.2 0.1 0.1 0 0 0.2 0.2 0.1 0.2 0.3 0.3 1.1 -
[1] 4uia.a 0.8 0.4 0.2 0.1 0.2 0.4 0.4 0.2 0.2 0.4 0.3 0.4 0.2 0.1 0.1 0.2 0.5 2.0 0.4 0.1 0.1 0.1
0
0.1 0.2 0.3 0 0.1 0.1 0.2 0.3 0.2 0.1 0.1 1.0 -
[1] 4uib.a 1.0 0.5 0.2 0.2 0.5 0.8 0.7 0.4 0.2 0.5 0.8 0.5 0.4 0.4 0.5 0.5 0.9 1.7 0.5 0.3 0.3 0.4 0.3
0
0.1 0.2 0.1 0.3 0.1 0.4 0.1 0.2 0.1 0.1 1.5 -
[1] 4z65.a 1.1 0.4 0.1 0.3 0.9 1.1 0.6 0.5 0.4 0.6 0.4 0.4 0.4 1.0 0.6 0.6 0.5 1.5 0.8 0.2 0.3 0.3 0.2 0.3
0
0.2 0.1 0.2 0.4 0.3 0.1 0.3 0.3 0.3 1.1 -
[1] 5j1q.a 1.1 0.4 0 0.2 0.5 0.5 0.5 0.3 0.2 0.5 0.6 0.4 0.1 0.5 0.3 0.4 0.4 1.8 0.6 0.2 0.3 0.2 0.2 0.1 0
0
0.1 0.1 0.2 0.1 0 0.1 0.2 0.2 1.0 -
[1] 5jc6.a 1.0 0.4 0.2 0.4 0.4 0.9 0.7 0.5 0.4 0.7 0.8 0.6 0.3 0.6 0.4 0.4 0.6 1.9 0.7 0.3 0.3 0.3 0.7 0.3 0.1 0.2
0.3
0.3 0.3 0.2 0.3 0.2 0.3 0.3 1.1 -
[1] 5lrg.a 0.5 0.4 0.1 0.2 0.7 0.7 0.4 1.3 0.6 1.0 1.5 1.1 0.9 0.7 0.5 0.4 1.1 1.9 1.0 0.2 0.2 0.2 0.3 0.9 0.1 0.1 0.1
0
0.3 0.3 0.1 0.2 1.2 1.1 1.1 -
[1] 5lrj.a 0.7 0.5 0.1 0.4 0.6 0.9 0.3 0.8 0.3 0.8 1.0 0.8 0.4 0.4 0.2 0.4 0.4 1.9 0.4 0.3 0.2 0.2 0.2 0.4 0.1 0.2 0.3 0
0
0.1 0.1 0.2 0.7 0.9 1.3 -
[1] 5lrk.c 0.6 0.6 0.1 0.2 0.6 0.9 0.4 1.3 0.6 1.0 1.3 1.1 0.7 0.6 0.5 0.4 0.9 1.8 0.9 0.2 0.3 0.3 0.3 0.7 0 0.1 0.1 0 0.1
0
0.1 0.2 1.2 0.9 1.1 -
[1] 5lyd.a 1.6 0.7 0.1 0.3 0.9 0.9 0.8 0.5 0.4 0.7 0.7 0.7 0.4 0.5 0.4 0.3 0.9 1.6 0.9 0.2 0.2 0.4 0.3 0.1 0.1 0.1 0 0.3 0.2 0.5
0
0.2 0 0 1.5 -
[1] 5lyf.a 1.0 0.7 0.3 0.4 0.5 0.9 0.7 0.5 0.6 0.7 1.0 0.7 0.5 0.5 0.6 0.5 1.0 2.6 0.8 0.7 0.4 0.5 0.1 0.2 0.2 0.4 0.4 0.2 0.1 0.2 0.3
0.4
0.3 0.3 1.6 -
[1] 5lyi.a 1.5 0.6 0.2 0.3 0.8 1.4 0.7 0.6 0.4 0.8 0.8 0.6 0.4 0.8 0.8 0.5 0.8 1.9 0.8 0.2 0.2 0.3 0.3 0.1 0.2 0.2 0.2 0.2 0.4 0.4 0 0.3
0.1
0.1 1.6 -
[1] 5lyl.a 1.5 0.6 0.2 0.2 0.9 1.3 0.6 0.6 0.4 0.9 0.6 0.5 0.7 0.9 0.8 0.9 0.7 1.7 0.8 0.2 0.2 0.3 0.4 0.1 0.2 0.2 0.1 0.2 0.4 0.4 0 0.3 0.1
0.1
1.6 -
[2] 1nsa.a 0.7 0.4 0 0.2 5.9 4.1 6.0 4.3 4.8 5.1 4.9 6.4 5.4 5.1 11 9.0 12 11 11 0.2 0.3 6.2 7.8 9.5 0 0 0 22 22 23 0.1 8.7 8.5 7.0
0
-
[2] 3glj.a 0.7 0.7 0.4 0.2 6.9 5.4 6.5 5.2 5.7 5.7 6.3 7.3 6.7 5.6 12 9.3 13 14 13 0.2 0.5 7.4 10 10 0.1 0.2 0 25 25 26 0.2 9.9 9.5 8.5 1.8
-
[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
1zg7.b
1zg8.a
1zg9.a
2jew.a
2piy.a
2piz.c
2pj0.a
2pj1.a
2pj2.a
2pj3.a
2pj4.b
2pj5.a
2pj6.a
2pj7.b
2pj8.b
2pj9.a
2pja.b
2pjb.a
2pjc.a
3wab.a
3wc5.a
3wc7.a
4uia.a
4uib.a
4z65.a
5j1q.a
5jc6.a
5lrg.a
5lrj.a
5lrk.c
5lyd.a
5lyf.a
5lyi.a
5lyl.a
1nsa.a
3glj.a
[1] 1zg7.b
0
.04 .06 .10 .04 .05 .04 .05 .04 .04 .03 .03 .04 .04 .04 .04 .02 .09 .04 .06 .06 .05 .04 .05 .06 .06 .05 .06 .06 .06 .08 .05 .06 .07 .78 .86
[1] 1zg8.a .04
0
.03 .09 .04 .04 .04 .04 .04 .03 .04 .03 .05 .05 .05 .05 .03 .07 .03 .06 .06 .05 .04 .06 .05 .05 .04 .06 .06 .06 .08 .06 .06 .07 .76 .87
[1] 1zg9.a .06 .03
0
.08 .05 .05 .05 .05 .05 .04 .04 .04 .05 .05 .05 .05 .04 .07 .04 .04 .03 .04 .04 .05 .04 .03 .04 .05 .05 .05 .07 .06 .05 .05 .74 .87
[1] 2jew.a .10 .09 .08
0
.10 .09 .08 .08 .09 .09 .09 .08 .10 .09 .10 .09 .10 .05 .08 .06 .06 .08 .08 .07 .06 .06 .08 .10 .09 .10 .05 .08 .06 .05 .75 .84
[1] 2piy.a .04 .04 .05 .10
0
.05 .06 .02 .01 .05 .06 .05 .02 .01 .02 .02 .03 .07 .05 .05 .05 .03 .04 .05 .06 .05 .05 .06 .05 .07 .08 .05 .07 .07 .78 .89
[1] 2piz.c .05 .04 .05 .09 .05
0
.04 .05 .05 .04 .04 .03 .06 .06 .05 .06 .05 .08 .04 .05 .05 .05 .05 .05 .04 .04 .03 .04 .05 .05 .08 .07 .06 .06 .77 .87
[1] 2pj0.a .04 .04 .05 .08 .06 .04
0
.05 .05 .01 .02 .01 .06 .06 .06 .06 .03 .06 .01 .05 .05 .04 .05 .04 .03 .04 .04 .05 .05 .05 .06 .07 .05 .05 .76 .85
[1] 2pj1.a .05 .04 .05 .08 .02 .05 .05
0
.01 .04 .06 .05 .02 .02 .02 .02 .03 .07 .04 .05 .05 .03 .04 .05 .06 .05 .05 .06 .05 .07 .07 .04 .06 .07 .78 .89
[1] 2pj2.a .04 .04 .05 .09 .01 .05 .05 .01
0
.04 .05 .05 .02 .01 .01 .02 .03 .07 .05 .05 .05 .03 .03 .04 .06 .05 .05 .06 .04 .06 .07 .04 .06 .06 .78 .89
[1] 2pj3.a .04 .03 .04 .09 .05 .04 .01 .04 .04
0
.03 .01 .05 .05 .05 .05 .02 .06 0 .05 .05 .04 .04 .05 .04 .04 .04 .05 .05 .05 .07 .07 .05 .06 .76 .87
[1] 2pj4.b .03 .04 .04 .09 .06 .04 .02 .06 .05 .03
0
.02 .05 .06 .04 .05 .03 .08 .03 .04 .03 .04 .03 .04 .03 .03 .03 .04 .05 .05 .06 .05 .03 .04 .75 .84
[1] 2pj5.a .03 .03 .04 .08 .05 .03 .01 .05 .05 .01 .02
0
.05 .05 .05 .05 .02 .07 .01 .04 .05 .04 .04 .04 .04 .04 .04 .04 .04 .04 .06 .06 .04 .05 .77 .86
[1] 2pj6.a .04 .05 .05 .10 .02 .06 .06 .02 .02 .05 .05 .05
0
.02 .01 .01 .03 .07 .05 .05 .05 .02 .02 .05 .06 .05 .05 .06 .05 .06 .08 .04 .06 .07 .78 .88
[1] 2pj7.b .04 .05 .05 .09 .01 .06 .06 .02 .01 .05 .06 .05 .02
0
.02 .02 .03 .07 .05 .05 .05 .03 .04 .05 .07 .05 .05 .06 .05 .07 .07 .04 .06 .06 .78 .88
[1] 2pj8.b .04 .05 .05 .10 .02 .05 .06 .02 .01 .05 .04 .05 .01 .02
0
.01 .03 .08 .05 .05 .04 .02 .03 .05 .05 .04 .04 .06 .05 .06 .07 .04 .06 .06 .77 .88
[1] 2pj9.a .04 .05 .05 .09 .02 .06 .06 .02 .02 .05 .05 .05 .01 .02 .01
0
.03 .08 .05 .05 .05 .02 .02 .05 .06 .05 .05 .06 .05 .06 .07 .03 .06 .06 .78 .88
[1] 2pja.b .02 .03 .04 .10 .03 .05 .03 .03 .03 .02 .03 .02 .03 .03 .03 .03
0
.07 .02 .05 .06 .04 .03 .05 .05 .05 .05 .05 .05 .05 .07 .05 .05 .06 .77 .87
[1] 2pjb.a .09 .07 .07 .05 .07 .08 .06 .07 .07 .06 .08 .07 .07 .07 .08 .08 .07
0
.06 .08 .08 .06 .08 .08 .07 .07 .08 .08 .08 .08 .08 .10 .09 .08 .73 .83
[1] 2pjc.a .04 .03 .04 .08 .05 .04 .01 .04 .05 0 .03 .01 .05 .05 .05 .05 .02 .06
0
.05 .05 .04 .04 .05 .04 .05 .05 .05 .05 .05 .07 .07 .05 .06 .77 .87
[1] 3wab.a .06 .06 .04 .06 .05 .05 .05 .05 .05 .05 .04 .04 .05 .05 .05 .05 .05 .08 .05
0
.01 .03 .03 .04 .03 .03 .03 .06 .04 .06 .05 .05 .03 .04 .77 .86
[1] 3wc5.a .06 .06 .03 .06 .05 .05 .05 .05 .05 .05 .03 .05 .05 .05 .04 .05 .06 .08 .05 .01
0
.03 .03 .03 .03 .02 .03 .06 .04 .06 .05 .04 .03 .03 .77 .85
[1] 3wc7.a .05 .05 .04 .08 .03 .05 .04 .03 .03 .04 .04 .04 .02 .03 .02 .02 .04 .06 .04 .03 .03
0
.02 .04 .04 .03 .04 .05 .04 .05 .05 .05 .04 .05 .76 .86
[1] 4uia.a .04 .04 .04 .08 .04 .05 .05 .04 .03 .04 .03 .04 .02 .04 .03 .02 .03 .08 .04 .03 .03 .02
0
.04 .05 .04 .04 .06 .05 .06 .05 .04 .04 .04 .76 .86
[1] 4uib.a .05 .06 .05 .07 .05 .05 .04 .05 .04 .05 .04 .04 .05 .05 .05 .05 .05 .08 .05 .04 .03 .04 .04
0
.04 .04 .05 .05 .04 .06 .03 .04 .03 .02 .76 .86
[1] 4z65.a .06 .05 .04 .06 .06 .04 .03 .06 .06 .04 .03 .04 .06 .07 .05 .06 .05 .07 .04 .03 .03 .04 .05 .04
0
.02 .02 .05 .05 .05 .05 .06 .05 .04 .75 .86
[1] 5j1q.a .06 .05 .03 .06 .05 .04 .04 .05 .05 .04 .03 .04 .05 .05 .04 .05 .05 .07 .05 .03 .02 .03 .04 .04 .02
0
.02 .05 .05 .05 .05 .05 .03 .03 .76 .86
[1] 5jc6.a .05 .04 .04 .08 .05 .03 .04 .05 .05 .04 .03 .04 .05 .05 .04 .05 .05 .08 .05 .03 .03 .04 .04 .05 .02 .02
0
.05 .05 .05 .06 .05 .05 .05 .77 .86
[1] 5lrg.a .06 .06 .05 .10 .06 .04 .05 .06 .06 .05 .04 .04 .06 .06 .06 .06 .05 .08 .05 .06 .06 .05 .06 .05 .05 .05 .05
0
.02 .01 .08 .07 .07 .07 .78 .88
[1] 5lrj.a .06 .06 .05 .09 .05 .05 .05 .05 .04 .05 .05 .04 .05 .05 .05 .05 .05 .08 .05 .04 .04 .04 .05 .04 .05 .05 .05 .02
0
.03 .06 .06 .05 .06 .78 .88
[1] 5lrk.c .06 .06 .05 .10 .07 .05 .05 .07 .06 .05 .05 .04 .06 .07 .06 .06 .05 .08 .05 .06 .06 .05 .06 .06 .05 .05 .05 .01 .03
0
.09 .07 .07 .08 .78 .88
[1] 5lyd.a .08 .08 .07 .05 .08 .08 .06 .07 .07 .07 .06 .06 .08 .07 .07 .07 .07 .08 .07 .05 .05 .05 .05 .03 .05 .05 .06 .08 .06 .09
0
.05 .03 .02 .78 .85
[1] 5lyf.a .05 .06 .06 .08 .05 .07 .07 .04 .04 .07 .05 .06 .04 .04 .04 .03 .05 .10 .07 .05 .04 .05 .04 .04 .06 .05 .05 .07 .06 .07 .05
0
.03 .04 .79 .87
[1] 5lyi.a .06 .06 .05 .06 .07 .06 .05 .06 .06 .05 .03 .04 .06 .06 .06 .06 .05 .09 .05 .03 .03 .04 .04 .03 .05 .03 .05 .07 .05 .07 .03 .03
0
.01 .78 .85
[1] 5lyl.a .07 .07 .05 .05 .07 .06 .05 .07 .06 .06 .04 .05 .07 .06 .06 .06 .06 .08 .06 .04 .03 .05 .04 .02 .04 .03 .05 .07 .06 .08 .02 .04 .01
0
.78 .85
[2] 1nsa.a .78 .76 .74 .75 .78 .77 .76 .78 .78 .76 .75 .77 .78 .78 .77 .78 .77 .73 .77 .77 .77 .76 .76 .76 .75 .76 .77 .78 .78 .78 .78 .79 .78 .78
0
.17
[2] 3glj.a .86 .87 .87 .84 .89 .87 .85 .89 .89 .87 .84 .86 .88 .88 .88 .88 .87 .83 .87 .86 .85 .86 .86 .86 .86 .86 .86 .88 .88 .88 .85 .87 .85 .85 .17
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.6 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
1zg7.b
1zg8.a
1zg9.a
2jew.a
2piy.a
2piz.c
2pj0.a
2pj1.a
2pj2.a
2pj3.a
2pj4.b
2pj5.a
2pj6.a
2pj7.b
2pj8.b
2pj9.a
2pja.b
2pjb.a
2pjc.a
3wab.a
3wc5.a
3wc7.a
4uia.a
4uib.a
4z65.a
5j1q.a
5jc6.a
5lrg.a
5lrj.a
5lrk.c
5lyd.a
5lyf.a
5lyi.a
5lyl.a
1nsa.a
3glj.a
[1] 1zg7.b
0
0.4 0.5 0.6 0.5 0.5 0.4 0.5 0.6 0.4 0.3 0.4 0.5 0.4 0.5 0.5 0.3 0.3 0.4 0.6 0.5 0.5 0.5 0.6 0.5 0.6 0.5 0.4 0.5 0.4 0.5 0.6 0.6 0.5 0.5 0.8
[1] 1zg8.a 0.4
0
0.3 0.7 0.3 0.4 0.3 0.4 0.4 0.3 0.3 0.2 0.4 0.4 0.4 0.4 0.3 0.3 0.3 0.4 0.4 0.4 0.5 0.5 0.4 0.4 0.3 0.3 0.4 0.3 0.5 0.5 0.5 0.5 0.6 0.9
[1] 1zg9.a 0.5 0.3
0
0.7 0.3 0.4 0.2 0.3 0.3 0.2 0.3 0.2 0.3 0.3 0.3 0.3 0.2 0.3 0.2 0.3 0.3 0.3 0.5 0.4 0.2 0.2 0.2 0.2 0.2 0.3 0.4 0.5 0.4 0.4 0.8 1.1
[1] 2jew.a 0.6 0.7 0.7
0
0.7 0.7 0.7 0.7 0.7 0.7 0.7 0.7 0.7 0.6 0.6 0.6 0.6 0.6 0.7 0.7 0.7 0.7 0.6 0.6 0.7 0.7 0.7 0.7 0.7 0.7 0.6 0.5 0.6 0.6 0.7 0.8
[1] 2piy.a 0.5 0.3 0.3 0.7
0
0.4 0.3 0.1 0.2 0.3 0.3 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.4 0.3 0.3 0.4 0.4 0.3 0.3 0.3 0.3 0.2 0.3 0.3 0.4 0.3 0.3 0.7 1.1
[1] 2piz.c 0.5 0.4 0.4 0.7 0.4
0
0.3 0.5 0.5 0.3 0.4 0.3 0.5 0.5 0.5 0.5 0.4 0.4 0.3 0.5 0.5 0.5 0.7 0.6 0.4 0.4 0.4 0.4 0.5 0.4 0.6 0.6 0.6 0.6 0.7 1.0
[1] 2pj0.a 0.4 0.3 0.2 0.7 0.3 0.3
0
0.3 0.3 0.1 0.2 0.1 0.3 0.3 0.3 0.3 0.2 0.3 0.1 0.4 0.3 0.3 0.5 0.5 0.2 0.2 0.2 0.2 0.3 0.2 0.5 0.5 0.4 0.4 0.7 1.0
[1] 2pj1.a 0.5 0.4 0.3 0.7 0.1 0.5 0.3
0
0.2 0.3 0.3 0.3 0.2 0.2 0.2 0.2 0.3 0.3 0.3 0.3 0.3 0.3 0.5 0.4 0.3 0.3 0.3 0.3 0.2 0.3 0.3 0.4 0.3 0.3 0.8 1.1
[1] 2pj2.a 0.6 0.4 0.3 0.7 0.2 0.5 0.3 0.2
0
0.3 0.4 0.3 0.2 0.3 0.3 0.2 0.3 0.4 0.3 0.3 0.3 0.2 0.5 0.4 0.3 0.2 0.3 0.3 0.2 0.4 0.4 0.4 0.4 0.4 0.8 1.2
[1] 2pj3.a 0.4 0.3 0.2 0.7 0.3 0.3 0.1 0.3 0.3
0
0.2 0.1 0.3 0.3 0.3 0.3 0.2 0.3 0.1 0.4 0.3 0.3 0.5 0.5 0.3 0.3 0.3 0.2 0.3 0.2 0.5 0.5 0.5 0.5 0.7 1.0
[1] 2pj4.b 0.3 0.3 0.3 0.7 0.3 0.4 0.2 0.3 0.4 0.2
0
0.2 0.3 0.2 0.3 0.3 0.2 0.3 0.2 0.4 0.3 0.3 0.5 0.5 0.3 0.3 0.3 0.2 0.3 0.3 0.4 0.5 0.4 0.4 0.7 1.0
[1] 2pj5.a 0.4 0.2 0.2 0.7 0.2 0.3 0.1 0.3 0.3 0.1 0.2
0
0.3 0.3 0.3 0.3 0.2 0.2 0.1 0.4 0.3 0.3 0.5 0.5 0.2 0.3 0.2 0.2 0.2 0.2 0.5 0.5 0.4 0.4 0.7 1.0
[1] 2pj6.a 0.5 0.4 0.3 0.7 0.2 0.5 0.3 0.2 0.2 0.3 0.3 0.3
0
0.2 0.1 0.1 0.2 0.3 0.3 0.3 0.3 0.2 0.4 0.3 0.3 0.3 0.3 0.3 0.2 0.3 0.3 0.4 0.3 0.3 0.8 1.1
[1] 2pj7.b 0.4 0.4 0.3 0.6 0.2 0.5 0.3 0.2 0.3 0.3 0.2 0.3 0.2
0
0.1 0.2 0.2 0.2 0.3 0.4 0.3 0.3 0.4 0.3 0.4 0.3 0.3 0.3 0.2 0.3 0.3 0.4 0.3 0.3 0.7 1.0
[1] 2pj8.b 0.5 0.4 0.3 0.6 0.2 0.5 0.3 0.2 0.3 0.3 0.3 0.3 0.1 0.1
0
0.2 0.2 0.3 0.3 0.4 0.3 0.3 0.4 0.3 0.4 0.3 0.3 0.3 0.2 0.3 0.3 0.4 0.3 0.3 0.8 1.0
[1] 2pj9.a 0.5 0.4 0.3 0.6 0.2 0.5 0.3 0.2 0.2 0.3 0.3 0.3 0.1 0.2 0.2
0
0.3 0.3 0.3 0.3 0.3 0.2 0.4 0.3 0.4 0.3 0.3 0.3 0.2 0.3 0.3 0.4 0.3 0.3 0.8 1.1
[1] 2pja.b 0.3 0.3 0.2 0.6 0.2 0.4 0.2 0.3 0.3 0.2 0.2 0.2 0.2 0.2 0.2 0.3
0
0.2 0.2 0.4 0.3 0.3 0.5 0.4 0.3 0.3 0.3 0.2 0.2 0.2 0.4 0.4 0.4 0.4 0.7 1.0
[1] 2pjb.a 0.3 0.3 0.3 0.6 0.2 0.4 0.3 0.3 0.4 0.3 0.3 0.2 0.3 0.2 0.3 0.3 0.2
0
0.3 0.4 0.4 0.4 0.5 0.4 0.4 0.4 0.4 0.3 0.3 0.3 0.4 0.4 0.4 0.4 0.6 0.9
[1] 2pjc.a 0.4 0.3 0.2 0.7 0.2 0.3 0.1 0.3 0.3 0.1 0.2 0.1 0.3 0.3 0.3 0.3 0.2 0.3
0
0.4 0.3 0.3 0.5 0.5 0.2 0.2 0.2 0.2 0.2 0.2 0.5 0.5 0.4 0.4 0.7 1.1
[1] 3wab.a 0.6 0.4 0.3 0.7 0.4 0.5 0.4 0.3 0.3 0.4 0.4 0.4 0.3 0.4 0.4 0.3 0.4 0.4 0.4
0
0.2 0.3 0.5 0.4 0.3 0.3 0.3 0.3 0.3 0.4 0.3 0.4 0.3 0.4 0.8 1.1
[1] 3wc5.a 0.5 0.4 0.3 0.7 0.3 0.5 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.4 0.3 0.2
0
0.2 0.5 0.3 0.2 0.2 0.2 0.3 0.2 0.3 0.3 0.4 0.3 0.3 0.8 1.1
[1] 3wc7.a 0.5 0.4 0.3 0.7 0.3 0.5 0.3 0.3 0.2 0.3 0.3 0.3 0.2 0.3 0.3 0.2 0.3 0.4 0.3 0.3 0.2
0
0.5 0.4 0.2 0.2 0.2 0.3 0.2 0.3 0.3 0.4 0.3 0.3 0.8 1.1
[1] 4uia.a 0.5 0.5 0.5 0.6 0.4 0.7 0.5 0.5 0.5 0.5 0.5 0.5 0.4 0.4 0.4 0.4 0.5 0.5 0.5 0.5 0.5 0.5
0
0.3 0.6 0.6 0.5 0.5 0.5 0.5 0.3 0.4 0.4 0.4 0.7 0.9
[1] 4uib.a 0.6 0.5 0.4 0.6 0.4 0.6 0.5 0.4 0.4 0.5 0.5 0.5 0.3 0.3 0.3 0.3 0.4 0.4 0.5 0.4 0.3 0.4 0.3
0
0.5 0.5 0.4 0.4 0.4 0.4 0.2 0.2 0.2 0.1 0.8 1.1
[1] 4z65.a 0.5 0.4 0.2 0.7 0.3 0.4 0.2 0.3 0.3 0.3 0.3 0.2 0.3 0.4 0.4 0.4 0.3 0.4 0.2 0.3 0.2 0.2 0.6 0.5
0
0.1 0.1 0.3 0.3 0.3 0.4 0.5 0.4 0.4 0.8 1.1
[1] 5j1q.a 0.6 0.4 0.2 0.7 0.3 0.4 0.2 0.3 0.2 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.4 0.2 0.3 0.2 0.2 0.6 0.5 0.1
0
0.1 0.3 0.2 0.3 0.4 0.5 0.4 0.4 0.8 1.2
[1] 5jc6.a 0.5 0.3 0.2 0.7 0.3 0.4 0.2 0.3 0.3 0.3 0.3 0.2 0.3 0.3 0.3 0.3 0.3 0.4 0.2 0.3 0.2 0.2 0.5 0.4 0.1 0.1
0
0.2 0.2 0.3 0.4 0.5 0.4 0.4 0.8 1.1
[1] 5lrg.a 0.4 0.3 0.2 0.7 0.3 0.4 0.2 0.3 0.3 0.2 0.2 0.2 0.3 0.3 0.3 0.3 0.2 0.3 0.2 0.3 0.3 0.3 0.5 0.4 0.3 0.3 0.2
0
0.2 0.2 0.4 0.4 0.4 0.4 0.7 1.0
[1] 5lrj.a 0.5 0.4 0.2 0.7 0.2 0.5 0.3 0.2 0.2 0.3 0.3 0.2 0.2 0.2 0.2 0.2 0.2 0.3 0.2 0.3 0.2 0.2 0.5 0.4 0.3 0.2 0.2 0.2
0
0.3 0.3 0.4 0.3 0.3 0.8 1.1
[1] 5lrk.c 0.4 0.3 0.3 0.7 0.3 0.4 0.2 0.3 0.4 0.2 0.3 0.2 0.3 0.3 0.3 0.3 0.2 0.3 0.2 0.4 0.3 0.3 0.5 0.4 0.3 0.3 0.3 0.2 0.3
0
0.4 0.5 0.4 0.4 0.7 1.0
[1] 5lyd.a 0.5 0.5 0.4 0.6 0.3 0.6 0.5 0.3 0.4 0.5 0.4 0.5 0.3 0.3 0.3 0.3 0.4 0.4 0.5 0.3 0.3 0.3 0.3 0.2 0.4 0.4 0.4 0.4 0.3 0.4
0
0.2 0.1 0.2 0.8 1.1
[1] 5lyf.a 0.6 0.5 0.5 0.5 0.4 0.6 0.5 0.4 0.4 0.5 0.5 0.5 0.4 0.4 0.4 0.4 0.4 0.4 0.5 0.4 0.4 0.4 0.4 0.2 0.5 0.5 0.5 0.4 0.4 0.5 0.2
0
0.2 0.2 0.8 1.1
[1] 5lyi.a 0.6 0.5 0.4 0.6 0.3 0.6 0.4 0.3 0.4 0.5 0.4 0.4 0.3 0.3 0.3 0.3 0.4 0.4 0.4 0.3 0.3 0.3 0.4 0.2 0.4 0.4 0.4 0.4 0.3 0.4 0.1 0.2
0
0.1 0.8 1.1
[1] 5lyl.a 0.5 0.5 0.4 0.6 0.3 0.6 0.4 0.3 0.4 0.5 0.4 0.4 0.3 0.3 0.3 0.3 0.4 0.4 0.4 0.4 0.3 0.3 0.4 0.1 0.4 0.4 0.4 0.4 0.3 0.4 0.2 0.2 0.1
0
0.8 1.1
[2] 1nsa.a 0.5 0.6 0.8 0.7 0.7 0.7 0.7 0.8 0.8 0.7 0.7 0.7 0.8 0.7 0.8 0.8 0.7 0.6 0.7 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 0.8 0.8
0
0.6
[2] 3glj.a 0.8 0.9 1.1 0.8 1.1 1.0 1.0 1.1 1.2 1.0 1.0 1.0 1.1 1.0 1.0 1.1 1.0 0.9 1.1 1.1 1.1 1.1 0.9 1.1 1.1 1.2 1.1 1.0 1.1 1.0 1.1 1.1 1.1 1.1 0.6
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.3 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
1zg7.b
1zg8.a
1zg9.a
2jew.a
2piy.a
2piz.c
2pj0.a
2pj1.a
2pj2.a
2pj3.a
2pj4.b
2pj5.a
2pj6.a
2pj7.b
2pj8.b
2pj9.a
2pja.b
2pjb.a
2pjc.a
3wab.a
3wc5.a
3wc7.a
4uia.a
4uib.a
4z65.a
5j1q.a
5jc6.a
5lrg.a
5lrj.a
5lrk.c
5lyd.a
5lyf.a
5lyi.a
5lyl.a
1nsa.a
3glj.a
[1] 1zg7.b
0
0.7 0.6 1.6 0.6 0.7 0.6 0.7 0.7 0.6 0.6 0.6 0.7 0.5 0.6 0.7 0.5 1.3 0.6 0.7 0.7 0.7 0.6 0.7 0.7 0.7 0.7 0.8 0.8 0.8 0.7 0.7 0.7 0.7 1.6 2.0
[1] 1zg8.a 0.7
0
0.5 1.7 0.6 0.8 0.6 0.6 0.6 0.6 0.7 0.5 0.6 0.6 0.7 0.7 0.6 1.5 0.6 0.6 0.5 0.6 0.7 0.6 0.6 0.6 0.6 0.7 0.7 0.7 0.7 0.7 0.7 0.7 1.8 2.3
[1] 1zg9.a 0.6 0.5
0
1.7 0.4 0.5 0.4 0.4 0.4 0.4 0.6 0.4 0.5 0.5 0.5 0.6 0.4 1.4 0.4 0.4 0.5 0.5 0.6 0.6 0.4 0.4 0.4 0.7 0.6 0.7 0.6 0.7 0.6 0.6 1.8 2.3
[1] 2jew.a 1.6 1.7 1.7
0
1.6 1.5 1.7 1.7 1.7 1.7 1.7 1.7 1.6 1.6 1.6 1.6 1.6 1.1 1.7 1.6 1.6 1.7 1.6 1.6 1.7 1.7 1.7 1.7 1.7 1.7 1.6 1.6 1.7 1.7 1.4 1.8
[1] 2piy.a 0.6 0.6 0.4 1.6
0
0.6 0.5 0.2 0.3 0.4 0.6 0.4 0.4 0.3 0.3 0.5 0.3 1.3 0.4 0.5 0.5 0.4 0.6 0.5 0.5 0.4 0.4 0.6 0.6 0.6 0.7 0.7 0.6 0.6 1.8 2.2
[1] 2piz.c 0.7 0.8 0.5 1.5 0.6
0
0.6 0.6 0.6 0.6 0.8 0.6 0.7 0.7 0.7 0.7 0.6 1.3 0.6 0.7 0.7 0.7 0.8 0.8 0.6 0.6 0.6 0.8 0.8 0.8 0.8 0.9 0.9 0.8 1.7 2.1
[1] 2pj0.a 0.6 0.6 0.4 1.7 0.5 0.6
0
0.5 0.5 0.2 0.5 0.3 0.6 0.6 0.6 0.6 0.4 1.5 0.3 0.6 0.6 0.6 0.7 0.6 0.5 0.5 0.5 0.7 0.7 0.7 0.7 0.7 0.7 0.7 1.9 2.3
[1] 2pj1.a 0.7 0.6 0.4 1.7 0.2 0.6 0.5
0
0.3 0.4 0.7 0.4 0.4 0.4 0.4 0.5 0.4 1.4 0.4 0.5 0.5 0.4 0.7 0.5 0.4 0.4 0.4 0.7 0.6 0.6 0.7 0.7 0.6 0.6 1.9 2.3
[1] 2pj2.a 0.7 0.6 0.4 1.7 0.3 0.6 0.5 0.3
0
0.5 0.7 0.5 0.4 0.4 0.4 0.5 0.4 1.4 0.4 0.4 0.5 0.4 0.7 0.6 0.4 0.3 0.3 0.7 0.7 0.7 0.6 0.7 0.7 0.7 1.9 2.3
[1] 2pj3.a 0.6 0.6 0.4 1.7 0.4 0.6 0.2 0.4 0.5
0
0.6 0.2 0.5 0.5 0.5 0.6 0.4 1.4 0.2 0.6 0.6 0.5 0.7 0.6 0.5 0.5 0.5 0.7 0.6 0.7 0.7 0.7 0.7 0.6 1.9 2.3
[1] 2pj4.b 0.6 0.7 0.6 1.7 0.6 0.8 0.5 0.7 0.7 0.6
0
0.5 0.7 0.5 0.5 0.6 0.6 1.4 0.5 0.7 0.7 0.6 0.7 0.7 0.6 0.6 0.6 0.8 0.8 0.8 0.7 0.7 0.7 0.7 1.8 2.3
[1] 2pj5.a 0.6 0.5 0.4 1.7 0.4 0.6 0.3 0.4 0.5 0.2 0.5
0
0.5 0.5 0.5 0.6 0.4 1.4 0.2 0.5 0.5 0.5 0.7 0.6 0.4 0.4 0.4 0.7 0.6 0.6 0.7 0.7 0.6 0.6 1.9 2.3
[1] 2pj6.a 0.7 0.6 0.5 1.6 0.4 0.7 0.6 0.4 0.4 0.5 0.7 0.5
0
0.4 0.4 0.4 0.4 1.4 0.5 0.5 0.4 0.3 0.5 0.4 0.5 0.4 0.4 0.6 0.5 0.6 0.6 0.6 0.6 0.5 1.8 2.3
[1] 2pj7.b 0.5 0.6 0.5 1.6 0.3 0.7 0.6 0.4 0.4 0.5 0.5 0.5 0.4
0
0.1 0.3 0.4 1.3 0.5 0.5 0.5 0.5 0.6 0.5 0.5 0.5 0.4 0.7 0.6 0.7 0.6 0.6 0.6 0.6 1.8 2.2
[1] 2pj8.b 0.6 0.7 0.5 1.6 0.3 0.7 0.6 0.4 0.4 0.5 0.5 0.5 0.4 0.1
0
0.3 0.4 1.4 0.5 0.5 0.5 0.5 0.6 0.5 0.5 0.4 0.4 0.7 0.6 0.7 0.6 0.6 0.6 0.6 1.8 2.3
[1] 2pj9.a 0.7 0.7 0.6 1.6 0.5 0.7 0.6 0.5 0.5 0.6 0.6 0.6 0.4 0.3 0.3
0
0.5 1.4 0.6 0.5 0.5 0.4 0.5 0.4 0.5 0.5 0.5 0.7 0.6 0.7 0.6 0.5 0.5 0.6 1.8 2.3
[1] 2pja.b 0.5 0.6 0.4 1.6 0.3 0.6 0.4 0.4 0.4 0.4 0.6 0.4 0.4 0.4 0.4 0.5
0
1.4 0.4 0.5 0.5 0.5 0.6 0.5 0.4 0.4 0.4 0.6 0.6 0.6 0.6 0.6 0.7 0.6 1.8 2.2
[1] 2pjb.a 1.3 1.5 1.4 1.1 1.3 1.3 1.5 1.4 1.4 1.4 1.4 1.4 1.4 1.3 1.4 1.4 1.4
0
1.4 1.4 1.4 1.5 1.4 1.5 1.5 1.5 1.4 1.5 1.5 1.5 1.5 1.4 1.5 1.5 0.9 1.4
[1] 2pjc.a 0.6 0.6 0.4 1.7 0.4 0.6 0.3 0.4 0.4 0.2 0.5 0.2 0.5 0.5 0.5 0.6 0.4 1.4
0
0.5 0.5 0.5 0.7 0.6 0.4 0.4 0.4 0.7 0.7 0.7 0.7 0.7 0.7 0.7 1.9 2.3
[1] 3wab.a 0.7 0.6 0.4 1.6 0.5 0.7 0.6 0.5 0.4 0.6 0.7 0.5 0.5 0.5 0.5 0.5 0.5 1.4 0.5
0
0.3 0.4 0.6 0.5 0.3 0.3 0.3 0.7 0.6 0.7 0.6 0.6 0.6 0.6 1.9 2.3
[1] 3wc5.a 0.7 0.5 0.5 1.6 0.5 0.7 0.6 0.5 0.5 0.6 0.7 0.5 0.4 0.5 0.5 0.5 0.5 1.4 0.5 0.3
0
0.3 0.6 0.5 0.3 0.4 0.3 0.7 0.6 0.7 0.5 0.6 0.6 0.6 1.9 2.3
[1] 3wc7.a 0.7 0.6 0.5 1.7 0.4 0.7 0.6 0.4 0.4 0.5 0.6 0.5 0.3 0.5 0.5 0.4 0.5 1.5 0.5 0.4 0.3
0
0.6 0.4 0.3 0.3 0.3 0.7 0.6 0.7 0.5 0.6 0.6 0.6 1.9 2.3
[1] 4uia.a 0.6 0.7 0.6 1.6 0.6 0.8 0.7 0.7 0.7 0.7 0.7 0.7 0.5 0.6 0.6 0.5 0.6 1.4 0.7 0.6 0.6 0.6
0
0.5 0.7 0.7 0.7 0.8 0.7 0.7 0.5 0.6 0.5 0.5 1.8 2.2
[1] 4uib.a 0.7 0.6 0.6 1.6 0.5 0.8 0.6 0.5 0.6 0.6 0.7 0.6 0.4 0.5 0.5 0.4 0.5 1.5 0.6 0.5 0.5 0.4 0.5
0
0.6 0.6 0.5 0.7 0.6 0.6 0.6 0.6 0.6 0.6 1.9 2.3
[1] 4z65.a 0.7 0.6 0.4 1.7 0.5 0.6 0.5 0.4 0.4 0.5 0.6 0.4 0.5 0.5 0.5 0.5 0.4 1.5 0.4 0.3 0.3 0.3 0.7 0.6
0
0.1 0.2 0.7 0.6 0.7 0.6 0.7 0.6 0.6 1.9 2.3
[1] 5j1q.a 0.7 0.6 0.4 1.7 0.4 0.6 0.5 0.4 0.3 0.5 0.6 0.4 0.4 0.5 0.4 0.5 0.4 1.5 0.4 0.3 0.4 0.3 0.7 0.6 0.1
0
0.2 0.7 0.6 0.7 0.6 0.7 0.6 0.6 1.9 2.3
[1] 5jc6.a 0.7 0.6 0.4 1.7 0.4 0.6 0.5 0.4 0.3 0.5 0.6 0.4 0.4 0.4 0.4 0.5 0.4 1.4 0.4 0.3 0.3 0.3 0.7 0.5 0.2 0.2
0
0.7 0.6 0.7 0.6 0.6 0.6 0.6 1.9 2.3
[1] 5lrg.a 0.8 0.7 0.7 1.7 0.6 0.8 0.7 0.7 0.7 0.7 0.8 0.7 0.6 0.7 0.7 0.7 0.6 1.5 0.7 0.7 0.7 0.7 0.8 0.7 0.7 0.7 0.7
0
0.2 0.2 0.8 0.8 0.8 0.7 1.9 2.3
[1] 5lrj.a 0.8 0.7 0.6 1.7 0.6 0.8 0.7 0.6 0.7 0.6 0.8 0.6 0.5 0.6 0.6 0.6 0.6 1.5 0.7 0.6 0.6 0.6 0.7 0.6 0.6 0.6 0.6 0.2
0
0.3 0.7 0.8 0.7 0.7 1.9 2.3
[1] 5lrk.c 0.8 0.7 0.7 1.7 0.6 0.8 0.7 0.6 0.7 0.7 0.8 0.6 0.6 0.7 0.7 0.7 0.6 1.5 0.7 0.7 0.7 0.7 0.7 0.6 0.7 0.7 0.7 0.2 0.3
0
0.8 0.8 0.8 0.7 1.9 2.3
[1] 5lyd.a 0.7 0.7 0.6 1.6 0.7 0.8 0.7 0.7 0.6 0.7 0.7 0.7 0.6 0.6 0.6 0.6 0.6 1.5 0.7 0.6 0.5 0.5 0.5 0.6 0.6 0.6 0.6 0.8 0.7 0.8
0
0.3 0.2 0.3 1.9 2.3
[1] 5lyf.a 0.7 0.7 0.7 1.6 0.7 0.9 0.7 0.7 0.7 0.7 0.7 0.7 0.6 0.6 0.6 0.5 0.6 1.4 0.7 0.6 0.6 0.6 0.6 0.6 0.7 0.7 0.6 0.8 0.8 0.8 0.3
0
0.4 0.4 1.8 2.2
[1] 5lyi.a 0.7 0.7 0.6 1.7 0.6 0.9 0.7 0.6 0.7 0.7 0.7 0.6 0.6 0.6 0.6 0.5 0.7 1.5 0.7 0.6 0.6 0.6 0.5 0.6 0.6 0.6 0.6 0.8 0.7 0.8 0.2 0.4
0
0.2 1.9 2.3
[1] 5lyl.a 0.7 0.7 0.6 1.7 0.6 0.8 0.7 0.6 0.7 0.6 0.7 0.6 0.5 0.6 0.6 0.6 0.6 1.5 0.7 0.6 0.6 0.6 0.5 0.6 0.6 0.6 0.6 0.7 0.7 0.7 0.3 0.4 0.2
0
1.9 2.3
[2] 1nsa.a 1.6 1.8 1.8 1.4 1.8 1.7 1.9 1.9 1.9 1.9 1.8 1.9 1.8 1.8 1.8 1.8 1.8 0.9 1.9 1.9 1.9 1.9 1.8 1.9 1.9 1.9 1.9 1.9 1.9 1.9 1.9 1.8 1.9 1.9
0
1.0
[2] 3glj.a 2.0 2.3 2.3 1.8 2.2 2.1 2.3 2.3 2.3 2.3 2.3 2.3 2.3 2.2 2.3 2.3 2.2 1.4 2.3 2.3 2.3 2.3 2.2 2.3 2.3 2.3 2.3 2.3 2.3 2.3 2.3 2.2 2.3 2.3 1.0
0
[Binding site full-atom RMSD matrix]







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