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ENPP2_HUMAN_40_863

Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 [Nucleotide pyrophosphatase/phosphodiesterase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ENPP2_HUMAN):D: SMB 1 (79, 81:83)
R: Substrate binding (211, 214)
R: Substrate binding (244:255)
168, 170, 172, 209, 210, 215, 217, 218, 231, 256, 257, 259:262, 273:278, 285, 305, 307, 309, 312, 313, 316, 358:360, 470, 471, 475, 513
79, 81:83, 168, 170, 172, 209:211, 214, 215, 217, 218, 231, 244:257, 259:262, 273:278, 285, 305, 307, 309, 312, 313, 316, 358:360, 470, 471, 475, 513
Metals (Me):Zn

Full PDB list

2xr9, 2xrg, 3nkm, 3nkn, 3nko, 3nkp, 3nkq, 3nkr, 3wav, 3waw, 3wax, 3way, 4zg6, 4zg7, 4zg9, 4zga, 5dlt, 5dlv, 5dlw, 5hrt, 5ijq, 5ijs, 5inh, 5kxa, 5l0b, 5l0e, 5l0k, 5lia, 5lqq, 5m0d, 5m0e, 5m0m, 5m0s, 5m7m, 5mhp, 5ohi, 5olb (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
L
7
9
S
8
2
Y
8
3
I
1
6
8
S
1
7
0
D
1
7
2
K
2
0
9
T
2
1
0
F
2
1
1
L
2
1
4
Y
2
1
5
L
2
1
7
A
2
1
8
N
2
3
1
L
2
4
4
R
2
4
5
R
2
4
7
K
2
4
9
F
2
5
0
H
2
5
2
W
2
5
5
G
2
5
6
G
2
5
7
P
2
5
9
L
2
6
0
W
2
6
1
I
2
6
2
F
2
7
4
F
2
7
5
W
2
7
6
S
2
7
7
V
2
7
8
R
2
8
5
A
3
0
5
Y
3
0
7
E
3
0
9
D
3
1
2
F
3
1
3
H
3
1
6
G
3
5
8
D
3
5
9
H
3
6
0
H
4
7
5
M
5
1
3
[1]2xr9.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2xrg.a swh33 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3nkm.a nkp6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3nkn.a nkn,nkn33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3nko.a nko,nko35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3nkp.a nkp,nkp35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3nkq.a nkq,nkq37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3nkr.a nkr,nkr51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3wav.a dwv22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3waw.a dww23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3wax.a dwx31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3way.a dwy31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4zg6.a 4ny31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4zg7.a 4o0,nkn62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4zga.a 4o3,acd48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5dlt.a 5jk29 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5dlv.a 5d534 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5dlw.a 5d5,nkp63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5hrt.a C19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5ijq.a 5jk29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5ijs.a 5jk29 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5inh.a 6c118 . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5kxa.a 6y732 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5l0b.a 6zm23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5l0e.a 6zn34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5l0k.b 6zo32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5lia.a 6xn35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5lqq.a 72p27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5m0d.a 7c844 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5m0e.a 5jk,7cr61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5m0m.a 7cf45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5m0s.a 7cw43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5m7m.a 7hr40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5mhp.a 7nb42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5ohi.a 9v837 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[2]4zg9.b 4o231 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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
L
7
9
K
8
1
S
8
2
Y
8
3
I
1
6
8
S
1
7
0
D
1
7
2
K
2
0
9
T
2
1
0
F
2
1
1
L
2
1
4
Y
2
1
5
L
2
1
7
A
2
1
8
N
2
3
1
L
2
4
4
R
2
4
5
G
2
4
6
R
2
4
7
E
2
4
8
K
2
4
9
F
2
5
0
N
2
5
1
H
2
5
2
R
2
5
3
W
2
5
4
W
2
5
5
G
2
5
6
G
2
5
7
P
2
5
9
L
2
6
0
W
2
6
1
I
2
6
2
T
2
7
3
F
2
7
4
F
2
7
5
W
2
7
6
S
2
7
7
V
2
7
8
R
2
8
5
A
3
0
5
Y
3
0
7
E
3
0
9
D
3
1
2
F
3
1
3
H
3
1
6
G
3
5
8
D
3
5
9
H
3
6
0
F
4
7
0
F
4
7
1
H
4
7
5
M
5
1
3
[1]2xr9.a . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . Zn
[1]2xrg.a . . . . . . . . * . * . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . * . . . . . . - . . . Zn
[1]3nkm.a . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . Zn
[1]3nkn.a . . . . . . . . . . * . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3nko.a . . . . . . . . * . * . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3nkp.a . . . . . . . . * . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3nkq.a . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3nkr.a . . . . . . . . . . * . . . . * . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . Zn
[1]3wav.a . . . . . . . . * . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3waw.a . . . . . . . . * . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3wax.a . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3way.a . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4zg6.a . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . * * . . . . . . . . . . . . . . . . . Zn
[1]4zg7.a . . . . . . . . . . * . . . . . . . . . . . . * . . . . . . . . . . . . . . * . . . . . . . . . . . . . . Zn
[1]4zga.a . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . Zn
[1]5dlt.a . . * . . . . . tpo . * . . . . * . . . . . * . . . . . . . . . . . . . * . . . . . . * . . . . . . . . . . Zn
[1]5dlv.a . . . . . . . . * . * . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . * . . . . . . . . . . . Zn
[1]5dlw.a . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . Zn
[1]5hrt.a . . . . . . . . * . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5ijq.a . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . Zn
[1]5ijs.a . . . . . . . . 6br . * . . . . * . . . . . . . . . . . . . . . . . . . * . . . . . . * . . . . . . . . . . Zn
[1]5inh.a . . . . . . . . * . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . Zn
[1]5kxa.a . . . . . . . . . . . . . . . * . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5l0b.a . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . * . * . . . . . . . . Zn
[1]5l0e.a . . . . . . . . * . * . . . . . . . . . . . . * . . . . . . . . . . . * . . . . . . * . * . . . . . . . . Zn
[1]5l0k.b . . . . . . . . * . * . . . . . . . . . . . . * . . . . . . . . . . . * . . . . . . . . * . . . . . . . . Zn
[1]5lia.a . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . Zn
[1]5lqq.a . . . . . . . . * . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - . . . Zn
[1]5m0d.a . . . . . . . . * . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . - . . . Zn
[1]5m0e.a . . . . . . . . . * * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . Zn
[1]5m0m.a . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . - . . . Zn
[1]5m0s.a . . . . . . . . * . * . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . Zn
[1]5m7m.a . . . . . . . . * . * . . . . . . . . . . * . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . Zn
[1]5mhp.a . . . . . . . . * . * . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . Zn
[1]5ohi.a . . . . . . . . * . * . . . . . * . . . . * . . . . . . . . . . . . . * . . . . . . * . . . . . . . . . . Zn
[2]4zg9.b . . . . . . . . * . * . . . . . . * * * * * * * * . . . . . . . . . . . . . . . . . * . . . . . . . . . . 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
2xr9.a is apo
2xrg.a:swh
3nkm.a:nkp
3nkn.a:nkn
3nko.a:nko
3nkp.a:nkp
3nkq.a:nkq
3nkr.a:nkr
3wav.a:dwv
3waw.a:dww
3wax.a:dwx
3way.a:dwy
4zg6.a:4ny
4zg7.a:4o0,nkn
4zga.a:4o3,acd
5dlt.a:5jk
5dlv.a:5d5
5dlw.a:5d5,nkp
5hrt.a:C
5ijq.a:5jk
5ijs.a:5jk
5inh.a:6c1
5kxa.a:6y7
5l0b.a:6zm
5l0e.a:6zn
5l0k.b:6zo
5lia.a:6xn
5lqq.a:72p
5m0d.a:7c8
5m0e.a:5jk,7cr
5m0m.a:7cf
5m0s.a:7cw
5m7m.a:7hr
5mhp.a:7nb
5ohi.a:9v8
4zg9.b:4o2
[1] 2xr9.a
-
1.0 0 0 0.1 0.4 0.2 0.1 0.3 0.3 0.5 0.4 2.4 0.6 0.4 0 0.8 2.0 0.1 0 0 0.9 0.9 0.1 0.4 0 0.9 0.5 0.7 0.3 1.2 1.0 0.3 0.6 0.6 2.1
[1] 2xrg.a -
0.4
0 0.2 0.1 0.1 0.2 0.6 0 0 0.4 0.7 2.0 2.0 0.3 1.3 1.5 1.7 0 1.0 0.9 0.9 1.9 0 0 0 0 1.6 0.4 0.4 0.3 0.2 1.0 1.3 0 1.1
[1] 3nkm.a - 0.3
0
0 0.1 0.4 0.2 0.1 0.2 0.3 0.4 0.2 1.7 0.4 0.5 0 0.4 0.8 0 0 0 0.7 0.2 0 0 0 0.6 0 0.8 0.1 1.3 1.3 0.1 0.1 0.1 2.2
[1] 3nkn.a - 0.7 0
0.1
0 0.2 0.1 0.3 0.4 0.5 0.7 0.8 1.6 0.4 0.4 0.2 0.4 0.9 0 0.1 0 1.1 0.1 0 0.6 0 0.2 0 0.9 0.3 1.5 1.8 0.3 0.2 0.4 1.2
[1] 3nko.a - 0.9 0 0.1
0.1
0.4 0.4 0.5 0.5 0.7 0.6 1.0 1.7 0.5 0.6 0.2 0.3 0.8 0 0.1 0 1.3 0.3 0 0.7 0.2 0.4 0 0.8 0.2 1.4 1.4 0.3 0.2 0.5 1.2
[1] 3nkp.a - 0.1 0 0.1 0
0.2
0.1 0.3 0.1 0 0.1 0.4 1.6 0.3 0.1 0 0.3 0.6 0 0.1 0 0.6 0 0 0 0 0.1 0 0.5 0 1.4 1.0 0.1 0.1 0 0.5
[1] 3nkq.a - 0.2 0 0.1 0 0.3
0
0.3 0.2 0.2 0.5 0.5 1.6 0.3 0.1 0.2 0.3 0.5 0 0.1 0.1 0.8 0 0 0 0 0.2 0 0.7 0.3 1.4 1.4 0.2 0.1 0 0.7
[1] 3nkr.a - 0.9 0 0.1 0 0.4 0.2
0.3
0.5 0.6 0.6 0.9 1.6 3.4 1.3 1.3 1.0 2.1 0 0.8 0.9 1.2 3.4 0 0.7 0 0.9 2.4 1.1 1.1 1.5 2.0 0.3 0.3 0.5 0.7
[1] 3wav.a - 1.1 0 0.1 0.1 0.2 0.1 0.3
0.1
0.1 0.6 0.5 1.6 0.7 0.3 0 0.4 1.2 0 0 0 1.0 0.7 0 0.1 0 0.6 0.4 0.5 0.1 1.1 1.3 0.6 0.3 0.3 1.1
[1] 3waw.a - 1.1 0 0.1 0.1 0.1 0.1 0.6 0
0
0.8 0.5 1.7 0.9 0.4 0.2 0.5 1.0 0 0.2 0.1 1.1 0.9 0 0.1 0 0.4 0.7 0.5 0.1 1.2 1.4 0.5 0.8 0.5 1.1
[1] 3wax.a - 1.2 0 0.1 0.1 0.2 0.3 0.4 0.2 0.2
0.1
0.4 1.5 1.2 0.4 0.1 0.3 1.2 0 0 0.1 0.4 1.0 0 0 0 0.7 0.7 0.3 0 0.7 0.8 0.7 0.9 0.4 1.3
[1] 3way.a - 1.1 0 0.1 0.1 0 0.2 0.2 0 0 0.2
0.3
1.6 0.8 0.3 0.1 0.6 1.1 0 0.1 0.1 0.5 0.8 0 0 0 0.7 0.7 0.5 0 1.1 1.1 0.5 0.7 0.3 1.3
[1] 4zg6.a - 3.0 0 0.2 0.5 1.1 1.4 1.9 0.8 1.0 1.3 1.1
0
2.1 2.0 0 0.8 3.8 0 0 0 1.0 2.2 0.4 0.6 0.7 3.0 1.4 1.8 0.5 2.0 2.8 2.6 2.6 2.2 3.5
[1] 4zg7.a - 0.7 0.1 0.1 0.5 0.2 0.3 0.5 0 0.3 0.2 0.3 1.8
0.1
1.5 1.2 2.3 2.3 0 1.1 0.5 1.1 0.2 0.1 0.1 0.1 1.2 0.2 3.4 1.4 3.5 4.4 0.8 0.8 0.2 2.1
[1] 4zga.a - 0.7 0 0 0.2 0.8 0.2 0.3 0.5 0.6 0.5 0.6 1.7 1.3
0.1
0.1 0.7 1.9 0.1 0.1 0.1 1.1 1.3 0.1 0.3 0.2 0.4 0.7 0.6 0.1 0.8 0.9 0.8 1.2 0.3 1.0
[1] 5dlt.a - 5.0 0 2.7 2.7 3.4 3.1 2.9 0.7 1.0 4.3 4.6 1.8 3.7 0.7
0
0.7 5.4 0 0 0 4.9 1.2 0.2 1.7 1.2 1.7 0.4 1.0 1.8 1.4 1.7 0.8 1.1 1.9 2.9
[1] 5dlv.a - 1.3 0 1.3 1.5 3.2 0.5 1.4 3.1 3.6 4.2 3.6 3.7 0.5 3.0 0
0
0.5 0 0 0 1.3 0.1 1.7 2.0 2.1 2.0 0 3.6 2.7 3.6 4.4 0.8 0.9 2.3 3.1
[1] 5dlw.a - 0.5 0 1.4 2.0 3.9 0.2 1.9 3.1 3.4 3.6 3.5 3.9 1.0 2.6 0.1 0
0.1
1.3 0 0.1 1.2 0.2 2.1 2.1 2.5 1.6 0.1 3.6 2.8 3.4 3.5 0.1 1.1 2.7 2.7
[1] 5hrt.a - 0.5 0 0.1 0.1 0.4 0.2 0.5 0.2 0.4 0.6 0.9 1.9 0.7 0.3 0 0.3 0.8
0
0 0 0.9 0.2 0 0.1 0 0.2 0.1 0.6 0 0.8 0.7 0.3 0.4 0 1.0
[1] 5ijq.a - 1.0 0 0 0.1 0.4 0.2 0.1 0.3 0.3 0.6 0.6 1.8 0.8 0.4 0 0.7 2.0 0
0
0 1.0 0.9 0.1 0.2 0.1 0.8 0.4 0.4 0.3 0.9 0.9 0.3 0.6 0.4 2.0
[1] 5ijs.a - 5.3 0 3.3 3.3 3.5 3.9 3.3 0.3 0.9 4.6 4.2 1.8 4.1 0.9 0 0.5 5.9 0 0
0
4.3 1.1 0.1 2.2 1.9 1.2 0.4 0.7 2.3 1.0 1.0 1.0 0.9 2.7 2.8
[1] 5inh.a - 0.5 0 0.1 0 0.4 0.2 0.5 0.5 0.4 0.4 0.7 1.8 1.1 0 0.2 0.7 1.0 0 0.1 0.2
0.6
1.1 0 0.1 0.2 0.1 0.8 0.3 0 0.7 0.7 0.6 0.7 0.1 1.5
[1] 5kxa.a - 1.0 0.1 0.2 0.2 0.3 0.2 0.3 0 0.3 0.7 0.5 0.5 0.1 0.4 0.6 0.9 1.1 0 0.6 0.4 1.3
0
0 0.3 0.2 0.5 0 1.2 0.9 1.8 1.7 0.5 0.6 0.4 1.1
[1] 5l0b.a - 2.0 0 0.6 0.3 0.8 1.2 1.4 0.6 0.3 0.7 0.8 2.1 2.7 1.2 0.5 1.5 3.0 0 0.3 0.4 3.9 2.2
0
0.1 0 1.5 2.3 1.2 0.3 1.7 1.5 1.6 1.8 0.8 3.5
[1] 5l0e.a - 2.2 0 0.4 0.4 0.8 1.1 1.5 0.5 0.2 0.6 0.6 1.8 2.7 1.1 0.5 1.8 3.0 0.1 0.3 0.3 4.0 2.2 0
0
0 1.8 2.4 1.3 0.2 1.8 1.6 1.8 1.6 0.7 3.4
[1] 5l0k.b - 1.6 0.1 0.6 0.8 1.2 1.2 1.4 0.4 0.4 0.6 0.9 1.7 4.0 1.1 1.0 3.3 5.2 0 0.4 0.8 3.5 3.1 0.1 0
0
1.5 2.8 1.8 0.5 2.5 2.6 2.0 2.7 0.4 2.8
[1] 5lia.a - 0.4 0 0 0.2 0.2 0 0.1 0.1 0.2 0.6 0.5 1.9 1.9 0.4 1.1 1.6 0.6 0 1.0 0.9 0.6 1.4 0 0.1 0
0
0.8 0.8 0.9 1.2 1.3 1.0 1.1 0.2 0.9
[1] 5lqq.a - 1.3 0 0.4 0.4 0.5 0.4 0.7 0.3 0.6 1.5 1.4 2.3 0.4 0.4 0.4 0.6 1.6 0.1 0.4 0.2 1.5 0.1 0.1 0.4 0.5 0.3
0
1.2 0.7 1.6 1.4 0.5 0.3 0.6 0.4
[1] 5m0d.a - 1.0 0 0.4 0.2 0.6 0.4 0.2 0.1 0.4 0.5 0.7 1.9 1.3 0.1 0.1 0.6 0.9 0.1 0.1 0.1 1.2 1.3 0.1 0.2 0 0.1 0.6
0
0.1 0.1 0.1 0.9 0.4 0.4 1.7
[1] 5m0e.a - 1.6 0 0.2 0.2 0.5 1.1 1.4 0.5 0.6 0.5 0.6 1.8 1.8 0.8 0.1 0.7 2.0 0 0 0.1 0.5 1.8 0.1 0.1 0.1 1.4 0.9 1.2
0
1.0 1.2 1.1 1.0 0.4 3.1
[1] 5m0m.a - 2.0 0 0.3 0.3 0.7 1.4 1.0 0.2 0.9 0.3 0.5 2.0 2.8 0.7 0.5 1.1 1.4 0 0.4 0.6 0.5 1.8 0.1 0.6 0.2 1.3 1.7 0.2 0.2
0.1
0.1 1.9 2.1 0.7 2.2
[1] 5m0s.a - 0.9 0 0.2 0.3 0.5 0.5 0.5 0.3 0.9 0.4 0.7 1.9 2.5 0.5 0.7 0.9 1.0 0 0.6 0.6 0.8 1.8 0.1 0.5 0 0.2 1.5 0.1 0.7 0
0.1
1.2 1.4 0.5 0.7
[1] 5m7m.a - 0.3 0 0.5 0.5 0.5 0.2 0.7 0.3 0.4 0.8 0.9 2.8 3.9 2.1 2.2 1.6 3.9 0 1.6 1.8 0.8 3.5 0 0 0.2 1.9 3.2 2.6 1.9 2.8 3.2
0
0.3 0.5 0.8
[1] 5mhp.a - 0.2 0 0.1 0.1 0.4 0.1 0.2 0 0.1 0.4 0.5 2.1 3.4 1.1 1.6 0.9 2.2 0.1 1.1 1.2 0.9 3.3 0 0 0 1.2 2.5 1.1 1.3 1.1 1.4 0
0
0.1 0.7
[1] 5ohi.a - 0.7 0 0.4 0.5 0.8 0.5 0.6 0.3 0.7 0.7 0.9 2.2 4.8 3.4 2.7 2.6 3.9 0 2.4 2.3 1.1 4.5 0.2 0.2 0.1 2.1 3.3 2.4 2.3 2.6 3.3 0.6 1.1
0
2.2
[2] 4zg9.b - 1.8 6.0 8.5 9.5 5.9 9.2 14 1.4 1.7 1.2 2.3 5.0 14 12 16 14 14 0.1 16 16 2.9 12 1.4 1.5 0.6 6.0 9.9 15 17 15 15 11 14 0.8
0.2
[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
2xr9.a
2xrg.a
3nkm.a
3nkn.a
3nko.a
3nkp.a
3nkq.a
3nkr.a
3wav.a
3waw.a
3wax.a
3way.a
4zg6.a
4zg7.a
4zga.a
5dlt.a
5dlv.a
5dlw.a
5hrt.a
5ijq.a
5ijs.a
5inh.a
5kxa.a
5l0b.a
5l0e.a
5l0k.b
5lia.a
5lqq.a
5m0d.a
5m0e.a
5m0m.a
5m0s.a
5m7m.a
5mhp.a
5ohi.a
4zg9.b
[1] 2xr9.a
0
.14 .08 .12 .12 .14 .12 .17 .12 .11 .13 .12 .11 .21 .09 .13 .18 .21 .12 .03 .11 .11 .16 .18 .19 .25 .13 .13 .11 .10 .16 .15 .20 .16 .19 .62
[1] 2xrg.a .14
0
.13 .15 .15 .11 .13 .13 .11 .12 .10 .10 .16 .20 .14 .19 .18 .22 .11 .14 .18 .08 .18 .17 .16 .24 .11 .14 .08 .13 .12 .09 .15 .10 .16 .59
[1] 3nkm.a .08 .13
0
.08 .07 .07 .06 .13 .07 .08 .09 .08 .13 .15 .11 .17 .16 .17 .08 .07 .16 .08 .13 .17 .18 .25 .10 .09 .09 .11 .14 .12 .17 .14 .17 .58
[1] 3nkn.a .12 .15 .08
0
.02 .05 .03 .08 .06 .06 .08 .07 .12 .12 .12 .19 .14 .18 .07 .11 .16 .11 .10 .18 .18 .23 .09 .08 .13 .12 .12 .12 .15 .13 .18 .60
[1] 3nko.a .12 .15 .07 .02
0
.04 .04 .08 .05 .05 .08 .07 .11 .12 .11 .18 .12 .18 .05 .11 .16 .10 .11 .20 .19 .23 .09 .06 .11 .11 .11 .10 .14 .11 .17 .58
[1] 3nkp.a .14 .11 .07 .05 .04
0
.02 .10 .03 .05 .06 .04 .14 .12 .10 .20 .14 .17 .05 .11 .17 .08 .11 .19 .18 .22 .09 .06 .11 .11 .12 .10 .13 .10 .18 .58
[1] 3nkq.a .12 .13 .06 .03 .04 .02
0
.08 .04 .05 .07 .05 .13 .10 .10 .20 .13 .16 .06 .10 .17 .09 .09 .18 .18 .23 .08 .06 .10 .12 .11 .10 .14 .10 .18 .58
[1] 3nkr.a .17 .13 .13 .08 .08 .10 .08
0
.08 .08 .09 .09 .12 .16 .14 .20 .15 .22 .13 .15 .18 .13 .14 .17 .17 .21 .09 .12 .13 .15 .11 .10 .08 .05 .12 .61
[1] 3wav.a .12 .11 .07 .06 .05 .03 .04 .08
0
.02 .05 .03 .11 .11 .08 .17 .12 .18 .07 .09 .15 .07 .10 .17 .16 .21 .07 .06 .08 .10 .10 .09 .12 .09 .17 .58
[1] 3waw.a .11 .12 .08 .06 .05 .05 .05 .08 .02
0
.04 .02 .10 .12 .08 .16 .11 .17 .06 .08 .14 .06 .10 .16 .16 .20 .06 .06 .08 .09 .09 .08 .12 .09 .16 .57
[1] 3wax.a .13 .10 .09 .08 .08 .06 .07 .09 .05 .04
0
.03 .10 .14 .07 .18 .13 .17 .07 .10 .15 .05 .12 .16 .15 .19 .05 .10 .08 .08 .09 .08 .12 .10 .17 .57
[1] 3way.a .12 .10 .08 .07 .07 .04 .05 .09 .03 .02 .03
0
.11 .11 .07 .18 .12 .16 .06 .10 .16 .05 .10 .16 .16 .20 .06 .07 .08 .08 .09 .08 .12 .09 .17 .56
[1] 4zg6.a .11 .16 .13 .12 .11 .14 .13 .12 .11 .10 .10 .11
0
.19 .08 .13 .17 .23 .12 .09 .14 .13 .19 .18 .19 .20 .12 .14 .12 .10 .11 .12 .15 .15 .16 .62
[1] 4zg7.a .21 .20 .15 .12 .12 .12 .10 .16 .11 .12 .14 .11 .19
0
.16 .27 .18 .21 .15 .18 .25 .16 .11 .24 .23 .25 .15 .13 .17 .19 .16 .15 .19 .17 .24 .54
[1] 4zga.a .09 .14 .11 .12 .11 .10 .10 .14 .08 .08 .07 .07 .08 .16
0
.15 .15 .18 .08 .07 .13 .08 .15 .18 .18 .19 .10 .12 .10 .08 .11 .10 .18 .13 .19 .61
[1] 5dlt.a .13 .19 .17 .19 .18 .20 .20 .20 .17 .16 .18 .18 .13 .27 .15
0
.24 .30 .18 .12 .05 .17 .25 .23 .23 .28 .18 .22 .16 .15 .21 .19 .23 .22 .22 .67
[1] 5dlv.a .18 .18 .16 .14 .12 .14 .13 .15 .12 .11 .13 .12 .17 .18 .15 .24
0
.08 .13 .16 .21 .14 .15 .25 .25 .29 .14 .11 .13 .16 .14 .11 .17 .16 .23 .61
[1] 5dlw.a .21 .22 .17 .18 .18 .17 .16 .22 .18 .17 .17 .16 .23 .21 .18 .30 .08
0
.16 .19 .28 .18 .18 .28 .29 .33 .18 .16 .18 .22 .19 .17 .23 .21 .29 .67
[1] 5hrt.a .12 .11 .08 .07 .05 .05 .06 .13 .07 .06 .07 .06 .12 .15 .08 .18 .13 .16
0
.09 .16 .07 .12 .19 .18 .21 .08 .08 .09 .10 .11 .08 .15 .12 .17 .59
[1] 5ijq.a .03 .14 .07 .11 .11 .11 .10 .15 .09 .08 .10 .10 .09 .18 .07 .12 .16 .19 .09
0
.10 .08 .15 .18 .18 .23 .12 .12 .08 .08 .14 .13 .18 .16 .17 .60
[1] 5ijs.a .11 .18 .16 .16 .16 .17 .17 .18 .15 .14 .15 .16 .14 .25 .13 .05 .21 .28 .16 .10
0
.14 .22 .22 .22 .26 .17 .18 .14 .14 .18 .18 .22 .19 .20 .65
[1] 5inh.a .11 .08 .08 .11 .10 .08 .09 .13 .07 .06 .05 .05 .13 .16 .08 .17 .14 .18 .07 .08 .14
0
.13 .15 .14 .21 .10 .11 .05 .08 .10 .08 .15 .12 .15 .56
[1] 5kxa.a .16 .18 .13 .10 .11 .11 .09 .14 .10 .10 .12 .10 .19 .11 .15 .25 .15 .18 .12 .15 .22 .13
0
.23 .22 .24 .12 .10 .15 .17 .13 .13 .19 .15 .24 .59
[1] 5l0b.a .18 .17 .17 .18 .20 .19 .18 .17 .17 .16 .16 .16 .18 .24 .18 .23 .25 .28 .19 .18 .22 .15 .23
0
.03 .11 .17 .21 .16 .16 .18 .17 .19 .16 .18 .66
[1] 5l0e.a .19 .16 .18 .18 .19 .18 .18 .17 .16 .16 .15 .16 .19 .23 .18 .23 .25 .29 .18 .18 .22 .14 .22 .03
0
.10 .16 .20 .15 .16 .19 .16 .19 .16 .19 .64
[1] 5l0k.b .25 .24 .25 .23 .23 .22 .23 .21 .21 .20 .19 .20 .20 .25 .19 .28 .29 .33 .21 .23 .26 .21 .24 .11 .10
0
.20 .25 .22 .21 .23 .20 .21 .20 .25 .67
[1] 5lia.a .13 .11 .10 .09 .09 .09 .08 .09 .07 .06 .05 .06 .12 .15 .10 .18 .14 .18 .08 .12 .17 .10 .12 .17 .16 .20
0
.11 .09 .12 .10 .08 .13 .10 .18 .58
[1] 5lqq.a .13 .14 .09 .08 .06 .06 .06 .12 .06 .06 .10 .07 .14 .13 .12 .22 .11 .16 .08 .12 .18 .11 .10 .21 .20 .25 .11
0
.10 .13 .13 .10 .14 .12 .19 .57
[1] 5m0d.a .11 .08 .09 .13 .11 .11 .10 .13 .08 .08 .08 .08 .12 .17 .10 .16 .13 .18 .09 .08 .14 .05 .15 .16 .15 .22 .09 .10
0
.09 .08 .06 .15 .12 .15 .57
[1] 5m0e.a .10 .13 .11 .12 .11 .11 .12 .15 .10 .09 .08 .08 .10 .19 .08 .15 .16 .22 .10 .08 .14 .08 .17 .16 .16 .21 .12 .13 .09
0
.10 .11 .18 .15 .16 .59
[1] 5m0m.a .16 .12 .14 .12 .11 .12 .11 .11 .10 .09 .09 .09 .11 .16 .11 .21 .14 .19 .11 .14 .18 .10 .13 .18 .19 .23 .10 .13 .08 .10
0
.04 .16 .11 .17 .61
[1] 5m0s.a .15 .09 .12 .12 .10 .10 .10 .10 .09 .08 .08 .08 .12 .15 .10 .19 .11 .17 .08 .13 .18 .08 .13 .17 .16 .20 .08 .10 .06 .11 .04
0
.13 .09 .15 .59
[1] 5m7m.a .20 .15 .17 .15 .14 .13 .14 .08 .12 .12 .12 .12 .15 .19 .18 .23 .17 .23 .15 .18 .22 .15 .19 .19 .19 .21 .13 .14 .15 .18 .16 .13
0
.07 .13 .60
[1] 5mhp.a .16 .10 .14 .13 .11 .10 .10 .05 .09 .09 .10 .09 .15 .17 .13 .22 .16 .21 .12 .16 .19 .12 .15 .16 .16 .20 .10 .12 .12 .15 .11 .09 .07
0
.12 .60
[1] 5ohi.a .19 .16 .17 .18 .17 .18 .18 .12 .17 .16 .17 .17 .16 .24 .19 .22 .23 .29 .17 .17 .20 .15 .24 .18 .19 .25 .18 .19 .15 .16 .17 .15 .13 .12
0
.62
[2] 4zg9.b .62 .59 .58 .60 .58 .58 .58 .61 .58 .57 .57 .56 .62 .54 .61 .67 .61 .67 .59 .60 .65 .56 .59 .66 .64 .67 .58 .57 .57 .59 .61 .59 .60 .60 .62
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.2 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
2xr9.a
2xrg.a
3nkm.a
3nkn.a
3nko.a
3nkp.a
3nkq.a
3nkr.a
3wav.a
3waw.a
3wax.a
3way.a
4zg6.a
4zg7.a
4zga.a
5dlt.a
5dlv.a
5dlw.a
5hrt.a
5ijq.a
5ijs.a
5inh.a
5kxa.a
5l0b.a
5l0e.a
5l0k.b
5lia.a
5lqq.a
5m0d.a
5m0e.a
5m0m.a
5m0s.a
5m7m.a
5mhp.a
5ohi.a
4zg9.b
[1] 2xr9.a
0
0.8 0.5 0.7 0.8 0.6 0.6 0.9 0.5 0.5 0.5 0.6 0.4 1.0 0.4 0.2 0.7 1.1 0.7 0.1 0.2 0.6 1.0 0.7 0.7 0.9 0.6 0.7 0.6 0.4 0.9 0.8 0.6 0.7 0.8 2.8
[1] 2xrg.a 0.8
0
0.7 0.8 0.9 0.7 0.7 0.9 0.7 0.7 0.7 0.7 0.8 1.1 0.8 0.9 0.7 0.9 0.5 0.8 0.9 0.7 1.1 0.7 0.7 1.0 0.7 0.8 0.6 0.8 0.8 0.7 0.8 0.7 0.7 3.2
[1] 3nkm.a 0.5 0.7
0
0.4 0.5 0.3 0.3 0.6 0.3 0.3 0.4 0.3 0.5 0.9 0.5 0.5 0.6 0.9 0.5 0.5 0.5 0.5 0.9 0.4 0.5 0.8 0.5 0.6 0.4 0.5 0.7 0.6 0.6 0.6 0.5 2.9
[1] 3nkn.a 0.7 0.8 0.4
0
0.2 0.2 0.3 0.3 0.5 0.4 0.6 0.6 0.6 1.1 0.7 0.7 0.7 0.9 0.6 0.7 0.7 0.7 1.0 0.5 0.6 0.9 0.4 0.7 0.5 0.6 0.9 0.7 0.7 0.6 0.4 2.8
[1] 3nko.a 0.8 0.9 0.5 0.2
0
0.3 0.3 0.2 0.6 0.5 0.6 0.7 0.7 1.1 0.8 0.7 0.7 1.0 0.7 0.8 0.7 0.8 1.1 0.6 0.7 1.0 0.5 0.8 0.6 0.7 1.0 0.8 0.7 0.6 0.4 2.8
[1] 3nkp.a 0.6 0.7 0.3 0.2 0.3
0
0.2 0.5 0.3 0.3 0.4 0.4 0.5 1.0 0.5 0.6 0.6 0.9 0.5 0.6 0.6 0.6 0.9 0.5 0.5 0.9 0.4 0.6 0.4 0.5 0.8 0.6 0.6 0.6 0.4 2.9
[1] 3nkq.a 0.6 0.7 0.3 0.3 0.3 0.2
0
0.4 0.4 0.4 0.5 0.5 0.6 1.0 0.6 0.6 0.6 0.9 0.5 0.6 0.6 0.6 1.0 0.5 0.6 0.9 0.4 0.6 0.4 0.5 0.8 0.6 0.6 0.5 0.4 2.9
[1] 3nkr.a 0.9 0.9 0.6 0.3 0.2 0.5 0.4
0
0.7 0.6 0.7 0.7 0.8 1.2 0.9 0.8 0.8 1.0 0.8 0.8 0.8 0.9 1.1 0.7 0.7 1.1 0.5 0.8 0.7 0.8 1.0 0.8 0.8 0.6 0.4 2.9
[1] 3wav.a 0.5 0.7 0.3 0.5 0.6 0.3 0.4 0.7
0
0.1 0.3 0.2 0.5 0.8 0.5 0.4 0.6 0.8 0.6 0.4 0.5 0.5 0.8 0.5 0.5 0.9 0.5 0.5 0.4 0.5 0.8 0.7 0.6 0.7 0.6 2.9
[1] 3waw.a 0.5 0.7 0.3 0.4 0.5 0.3 0.4 0.6 0.1
0
0.3 0.2 0.5 0.9 0.5 0.5 0.5 0.8 0.6 0.5 0.5 0.5 0.8 0.5 0.5 0.9 0.4 0.5 0.4 0.5 0.8 0.6 0.6 0.7 0.6 2.9
[1] 3wax.a 0.5 0.7 0.4 0.6 0.6 0.4 0.5 0.7 0.3 0.3
0
0.3 0.5 1.0 0.5 0.5 0.6 0.9 0.6 0.5 0.5 0.5 0.9 0.6 0.6 0.9 0.5 0.6 0.5 0.5 0.8 0.7 0.7 0.8 0.6 2.9
[1] 3way.a 0.6 0.7 0.3 0.6 0.7 0.4 0.5 0.7 0.2 0.2 0.3
0
0.5 0.8 0.5 0.5 0.5 0.8 0.6 0.5 0.6 0.5 0.8 0.5 0.5 0.9 0.5 0.6 0.4 0.5 0.8 0.6 0.6 0.7 0.7 2.9
[1] 4zg6.a 0.4 0.8 0.5 0.6 0.7 0.5 0.6 0.8 0.5 0.5 0.5 0.5
0
1.0 0.3 0.3 0.7 1.0 0.7 0.4 0.4 0.5 1.0 0.7 0.7 0.9 0.6 0.7 0.6 0.3 0.9 0.8 0.7 0.8 0.7 2.8
[1] 4zg7.a 1.0 1.1 0.9 1.1 1.1 1.0 1.0 1.2 0.8 0.9 1.0 0.8 1.0
0
1.1 1.0 0.9 0.7 1.1 1.0 1.0 1.1 0.4 1.1 1.1 1.2 1.0 0.8 0.8 1.0 1.1 1.0 1.0 1.1 1.2 2.9
[1] 4zga.a 0.4 0.8 0.5 0.7 0.8 0.5 0.6 0.9 0.5 0.5 0.5 0.5 0.3 1.1
0
0.4 0.8 1.1 0.6 0.4 0.4 0.5 1.1 0.7 0.7 0.9 0.6 0.8 0.6 0.4 0.9 0.8 0.7 0.8 0.7 2.9
[1] 5dlt.a 0.2 0.9 0.5 0.7 0.7 0.6 0.6 0.8 0.4 0.5 0.5 0.5 0.3 1.0 0.4
0
0.7 1.1 0.7 0.2 0.2 0.6 1.0 0.7 0.7 0.9 0.6 0.7 0.7 0.4 1.0 0.9 0.7 0.8 0.8 2.8
[1] 5dlv.a 0.7 0.7 0.6 0.7 0.7 0.6 0.6 0.8 0.6 0.5 0.6 0.5 0.7 0.9 0.8 0.7
0
0.6 0.7 0.7 0.7 0.7 0.8 0.8 0.8 1.1 0.5 0.2 0.5 0.7 0.9 0.7 0.6 0.7 0.8 2.8
[1] 5dlw.a 1.1 0.9 0.9 0.9 1.0 0.9 0.9 1.0 0.8 0.8 0.9 0.8 1.0 0.7 1.1 1.1 0.6
0
1.0 1.1 1.1 1.0 0.6 1.0 1.0 1.2 0.8 0.5 0.7 0.9 0.9 0.8 0.9 1.0 1.1 2.9
[1] 5hrt.a 0.7 0.5 0.5 0.6 0.7 0.5 0.5 0.8 0.6 0.6 0.6 0.6 0.7 1.1 0.6 0.7 0.7 1.0
0
0.7 0.8 0.5 1.1 0.6 0.6 0.9 0.6 0.7 0.5 0.7 0.7 0.6 0.8 0.7 0.6 3.0
[1] 5ijq.a 0.1 0.8 0.5 0.7 0.8 0.6 0.6 0.8 0.4 0.5 0.5 0.5 0.4 1.0 0.4 0.2 0.7 1.1 0.7
0
0.2 0.6 1.0 0.7 0.7 0.9 0.6 0.7 0.6 0.4 0.9 0.8 0.6 0.7 0.7 2.8
[1] 5ijs.a 0.2 0.9 0.5 0.7 0.7 0.6 0.6 0.8 0.5 0.5 0.5 0.6 0.4 1.0 0.4 0.2 0.7 1.1 0.8 0.2
0
0.7 1.0 0.7 0.7 0.9 0.7 0.7 0.7 0.4 1.0 0.9 0.7 0.8 0.7 2.8
[1] 5inh.a 0.6 0.7 0.5 0.7 0.8 0.6 0.6 0.9 0.5 0.5 0.5 0.5 0.5 1.1 0.5 0.6 0.7 1.0 0.5 0.6 0.7
0
1.0 0.7 0.6 0.9 0.7 0.7 0.5 0.5 0.8 0.6 0.8 0.7 0.6 3.0
[1] 5kxa.a 1.0 1.1 0.9 1.0 1.1 0.9 1.0 1.1 0.8 0.8 0.9 0.8 1.0 0.4 1.1 1.0 0.8 0.6 1.1 1.0 1.0 1.0
0
1.1 1.1 1.2 0.9 0.7 0.8 1.0 1.1 1.0 1.0 1.1 1.2 2.9
[1] 5l0b.a 0.7 0.7 0.4 0.5 0.6 0.5 0.5 0.7 0.5 0.5 0.6 0.5 0.7 1.1 0.7 0.7 0.8 1.0 0.6 0.7 0.7 0.7 1.1
0
0.2 0.7 0.6 0.8 0.6 0.6 0.8 0.6 0.7 0.6 0.5 3.0
[1] 5l0e.a 0.7 0.7 0.5 0.6 0.7 0.5 0.6 0.7 0.5 0.5 0.6 0.5 0.7 1.1 0.7 0.7 0.8 1.0 0.6 0.7 0.7 0.6 1.1 0.2
0
0.6 0.6 0.8 0.6 0.6 0.8 0.7 0.7 0.6 0.6 3.1
[1] 5l0k.b 0.9 1.0 0.8 0.9 1.0 0.9 0.9 1.1 0.9 0.9 0.9 0.9 0.9 1.2 0.9 0.9 1.1 1.2 0.9 0.9 0.9 0.9 1.2 0.7 0.6
0
0.9 1.1 0.9 0.9 0.8 1.0 1.0 0.9 0.9 3.1
[1] 5lia.a 0.6 0.7 0.5 0.4 0.5 0.4 0.4 0.5 0.5 0.4 0.5 0.5 0.6 1.0 0.6 0.6 0.5 0.8 0.6 0.6 0.7 0.7 0.9 0.6 0.6 0.9
0
0.5 0.5 0.6 0.8 0.6 0.6 0.6 0.6 2.8
[1] 5lqq.a 0.7 0.8 0.6 0.7 0.8 0.6 0.6 0.8 0.5 0.5 0.6 0.6 0.7 0.8 0.8 0.7 0.2 0.5 0.7 0.7 0.7 0.7 0.7 0.8 0.8 1.1 0.5
0
0.4 0.7 0.9 0.7 0.6 0.8 0.8 2.8
[1] 5m0d.a 0.6 0.6 0.4 0.5 0.6 0.4 0.4 0.7 0.4 0.4 0.5 0.4 0.6 0.8 0.6 0.7 0.5 0.7 0.5 0.6 0.7 0.5 0.8 0.6 0.6 0.9 0.5 0.4
0
0.5 0.7 0.5 0.6 0.6 0.6 3.0
[1] 5m0e.a 0.4 0.8 0.5 0.6 0.7 0.5 0.5 0.8 0.5 0.5 0.5 0.5 0.3 1.0 0.4 0.4 0.7 0.9 0.7 0.4 0.4 0.5 1.0 0.6 0.6 0.9 0.6 0.7 0.5
0
0.8 0.7 0.7 0.7 0.6 2.8
[1] 5m0m.a 0.9 0.8 0.7 0.9 1.0 0.8 0.8 1.0 0.8 0.8 0.8 0.8 0.9 1.1 0.9 1.0 0.9 0.9 0.7 0.9 1.0 0.8 1.1 0.8 0.8 0.8 0.8 0.9 0.7 0.8
0
0.6 0.9 0.9 0.9 3.2
[1] 5m0s.a 0.8 0.7 0.6 0.7 0.8 0.6 0.6 0.8 0.7 0.6 0.7 0.6 0.8 1.0 0.8 0.9 0.7 0.8 0.6 0.8 0.9 0.6 1.0 0.6 0.7 1.0 0.6 0.7 0.5 0.7 0.6
0
0.8 0.8 0.7 3.0
[1] 5m7m.a 0.6 0.8 0.6 0.7 0.7 0.6 0.6 0.8 0.6 0.6 0.7 0.6 0.7 1.0 0.7 0.7 0.6 0.9 0.8 0.6 0.7 0.8 1.0 0.7 0.7 1.0 0.6 0.6 0.6 0.7 0.9 0.8
0
0.6 0.8 2.8
[1] 5mhp.a 0.7 0.7 0.6 0.6 0.6 0.6 0.5 0.6 0.7 0.7 0.8 0.7 0.8 1.1 0.8 0.8 0.7 1.0 0.7 0.7 0.8 0.7 1.1 0.6 0.6 0.9 0.6 0.8 0.6 0.7 0.9 0.8 0.6
0
0.5 3.0
[1] 5ohi.a 0.8 0.7 0.5 0.4 0.4 0.4 0.4 0.4 0.6 0.6 0.6 0.7 0.7 1.2 0.7 0.8 0.8 1.1 0.6 0.7 0.7 0.6 1.2 0.5 0.6 0.9 0.6 0.8 0.6 0.6 0.9 0.7 0.8 0.5
0
2.9
[2] 4zg9.b 2.8 3.2 2.9 2.8 2.8 2.9 2.9 2.9 2.9 2.9 2.9 2.9 2.8 2.9 2.9 2.8 2.8 2.9 3.0 2.8 2.8 3.0 2.9 3.0 3.1 3.1 2.8 2.8 3.0 2.8 3.2 3.0 2.8 3.0 2.9
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.7 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
2xr9.a
2xrg.a
3nkm.a
3nkn.a
3nko.a
3nkp.a
3nkq.a
3nkr.a
3wav.a
3waw.a
3wax.a
3way.a
4zg6.a
4zg7.a
4zga.a
5dlt.a
5dlv.a
5dlw.a
5hrt.a
5ijq.a
5ijs.a
5inh.a
5kxa.a
5l0b.a
5l0e.a
5l0k.b
5lia.a
5lqq.a
5m0d.a
5m0e.a
5m0m.a
5m0s.a
5m7m.a
5mhp.a
5ohi.a
4zg9.b
[1] 2xr9.a
0
1.1 0.9 1.0 1.1 1.0 1.0 1.3 0.9 1.0 1.0 1.0 0.8 1.5 0.8 0.8 1.3 1.7 1.2 0.7 0.9 1.3 1.4 1.4 1.4 1.5 1.1 1.1 1.0 0.8 1.4 1.4 1.5 1.6 1.4 4.0
[1] 2xrg.a 1.1
0
0.9 1.0 1.0 0.9 0.9 1.2 0.9 0.9 0.9 0.9 1.2 1.3 1.1 1.3 1.3 1.5 1.0 1.1 1.2 1.2 1.3 1.3 1.2 1.4 1.1 1.1 1.0 1.1 1.4 1.3 1.6 1.5 1.2 4.2
[1] 3nkm.a 0.9 0.9
0
0.6 0.7 0.5 0.6 0.7 0.5 0.7 0.7 0.6 1.0 1.1 1.0 0.9 1.1 1.5 0.8 0.8 1.0 1.1 1.1 1.1 1.1 1.3 0.8 0.9 0.8 0.9 1.1 1.1 1.3 1.3 0.8 3.7
[1] 3nkn.a 1.0 1.0 0.6
0
0.3 0.3 0.4 0.4 0.6 0.7 0.8 0.7 1.0 1.2 1.0 1.0 1.1 1.6 0.8 1.0 1.0 1.1 1.1 1.1 1.2 1.4 0.7 0.9 0.8 1.0 1.1 1.0 1.4 1.3 0.7 3.6
[1] 3nko.a 1.1 1.0 0.7 0.3
0
0.4 0.5 0.3 0.7 0.7 0.8 0.8 1.1 1.2 1.1 1.0 1.2 1.6 0.8 1.0 1.1 1.2 1.2 1.1 1.2 1.4 0.8 0.9 0.9 1.0 1.2 1.1 1.4 1.3 0.7 3.6
[1] 3nkp.a 1.0 0.9 0.5 0.3 0.4
0
0.3 0.4 0.5 0.6 0.6 0.6 1.0 1.1 0.9 1.0 1.1 1.6 0.7 0.9 1.0 1.0 1.1 1.1 1.2 1.3 0.7 0.9 0.8 0.9 1.1 0.9 1.4 1.3 0.7 3.6
[1] 3nkq.a 1.0 0.9 0.6 0.4 0.5 0.3
0
0.5 0.6 0.7 0.7 0.6 1.1 1.2 1.0 1.0 1.2 1.6 0.7 1.0 1.1 1.1 1.1 1.1 1.2 1.4 0.7 0.9 0.8 1.0 1.1 1.0 1.4 1.2 0.7 3.6
[1] 3nkr.a 1.3 1.2 0.7 0.4 0.3 0.4 0.5
0
1.0 1.0 1.1 1.0 1.3 1.4 1.3 1.2 1.3 1.6 0.8 1.2 1.3 1.1 1.4 1.3 1.4 1.5 1.0 1.1 1.1 1.2 1.3 1.2 1.4 1.3 0.7 3.7
[1] 3wav.a 0.9 0.9 0.5 0.6 0.7 0.5 0.6 1.0
0
0.4 0.5 0.3 1.0 1.0 0.9 0.8 1.1 1.4 0.8 0.8 0.9 1.0 1.0 1.0 1.1 1.3 0.7 0.8 0.7 0.8 1.1 1.0 1.4 1.4 1.0 3.6
[1] 3waw.a 1.0 0.9 0.7 0.7 0.7 0.6 0.7 1.0 0.4
0
0.6 0.5 1.0 1.0 0.9 0.9 1.1 1.4 0.8 0.9 0.9 1.1 1.0 1.0 1.0 1.2 0.7 0.7 0.7 0.9 1.1 0.9 1.4 1.4 1.1 3.6
[1] 3wax.a 1.0 0.9 0.7 0.8 0.8 0.6 0.7 1.1 0.5 0.6
0
0.5 0.9 1.1 0.9 0.9 1.1 1.6 0.8 0.9 1.0 1.0 1.1 1.1 1.1 1.3 0.8 0.9 0.8 0.9 1.1 1.0 1.4 1.5 1.0 3.6
[1] 3way.a 1.0 0.9 0.6 0.7 0.8 0.6 0.6 1.0 0.3 0.5 0.5
0
0.9 1.0 0.9 0.9 1.1 1.4 0.8 0.9 1.0 1.0 1.0 1.0 1.1 1.2 0.7 0.8 0.7 0.9 1.1 1.0 1.5 1.4 1.0 3.7
[1] 4zg6.a 0.8 1.2 1.0 1.0 1.1 1.0 1.1 1.3 1.0 1.0 0.9 0.9
0
1.4 0.6 0.7 1.2 1.7 1.1 0.7 0.8 1.2 1.3 1.3 1.3 1.5 1.1 1.2 1.1 0.8 1.2 1.3 1.6 1.6 1.2 3.6
[1] 4zg7.a 1.5 1.3 1.1 1.2 1.2 1.1 1.2 1.4 1.0 1.0 1.1 1.0 1.4
0
1.4 1.4 1.4 1.2 1.3 1.4 1.4 1.4 0.7 1.4 1.4 1.5 1.2 1.1 1.2 1.4 1.7 1.6 1.7 1.7 1.5 3.9
[1] 4zga.a 0.8 1.1 1.0 1.0 1.1 0.9 1.0 1.3 0.9 0.9 0.9 0.9 0.6 1.4
0
0.8 1.2 1.6 1.0 0.7 0.7 0.9 1.3 1.2 1.2 1.4 1.0 1.1 1.0 0.7 1.1 1.1 1.6 1.6 1.2 3.6
[1] 5dlt.a 0.8 1.3 0.9 1.0 1.0 1.0 1.0 1.2 0.8 0.9 0.9 0.9 0.7 1.4 0.8
0
1.3 1.7 1.2 0.6 0.7 1.3 1.3 1.4 1.4 1.4 1.1 1.2 1.1 0.7 1.5 1.4 1.5 1.6 1.4 4.0
[1] 5dlv.a 1.3 1.3 1.1 1.1 1.2 1.1 1.2 1.3 1.1 1.1 1.1 1.1 1.2 1.4 1.2 1.3
0
1.2 1.3 1.3 1.4 1.4 1.3 1.5 1.5 1.6 1.2 1.0 1.1 1.2 1.5 1.2 1.6 1.6 1.5 4.0
[1] 5dlw.a 1.7 1.5 1.5 1.6 1.6 1.6 1.6 1.6 1.4 1.4 1.6 1.4 1.7 1.2 1.6 1.7 1.2
0
1.9 1.6 1.7 1.7 1.2 1.7 1.7 1.8 1.5 1.3 1.4 1.6 1.8 1.6 1.8 1.9 1.8 4.0
[1] 5hrt.a 1.2 1.0 0.8 0.8 0.8 0.7 0.7 0.8 0.8 0.8 0.8 0.8 1.1 1.3 1.0 1.2 1.3 1.9
0
1.2 1.2 1.2 1.3 1.3 1.3 1.4 1.0 1.1 1.1 1.3 1.1 1.1 1.4 1.3 1.2 3.7
[1] 5ijq.a 0.7 1.1 0.8 1.0 1.0 0.9 1.0 1.2 0.8 0.9 0.9 0.9 0.7 1.4 0.7 0.6 1.3 1.6 1.2
0
0.6 1.3 1.3 1.4 1.3 1.4 1.0 1.2 1.0 0.8 1.4 1.4 1.5 1.5 1.3 3.9
[1] 5ijs.a 0.9 1.2 1.0 1.0 1.1 1.0 1.1 1.3 0.9 0.9 1.0 1.0 0.8 1.4 0.7 0.7 1.4 1.7 1.2 0.6
0
1.3 1.3 1.4 1.3 1.4 1.1 1.2 1.1 0.8 1.4 1.5 1.5 1.6 1.3 3.9
[1] 5inh.a 1.3 1.2 1.1 1.1 1.2 1.0 1.1 1.1 1.0 1.1 1.0 1.0 1.2 1.4 0.9 1.3 1.4 1.7 1.2 1.3 1.3
0
1.3 1.5 1.3 1.4 1.3 1.1 1.0 1.1 1.2 1.1 1.5 1.5 1.6 4.1
[1] 5kxa.a 1.4 1.3 1.1 1.1 1.2 1.1 1.1 1.4 1.0 1.0 1.1 1.0 1.3 0.7 1.3 1.3 1.3 1.2 1.3 1.3 1.3 1.3
0
1.4 1.4 1.6 1.1 1.1 1.1 1.3 1.7 1.4 1.7 1.7 1.4 3.9
[1] 5l0b.a 1.4 1.3 1.1 1.1 1.1 1.1 1.1 1.3 1.0 1.0 1.1 1.0 1.3 1.4 1.2 1.4 1.5 1.7 1.3 1.4 1.4 1.5 1.4
0
0.7 0.8 1.2 1.5 1.4 1.3 1.6 1.5 1.5 1.6 1.3 4.1
[1] 5l0e.a 1.4 1.2 1.1 1.2 1.2 1.2 1.2 1.4 1.1 1.0 1.1 1.1 1.3 1.4 1.2 1.4 1.5 1.7 1.3 1.3 1.3 1.3 1.4 0.7
0
0.8 1.2 1.4 1.2 1.3 1.5 1.4 1.5 1.6 1.5 4.1
[1] 5l0k.b 1.5 1.4 1.3 1.4 1.4 1.3 1.4 1.5 1.3 1.2 1.3 1.2 1.5 1.5 1.4 1.4 1.6 1.8 1.4 1.4 1.4 1.4 1.6 0.8 0.8
0
1.3 1.4 1.3 1.3 1.3 1.4 1.6 1.7 1.4 3.8
[1] 5lia.a 1.1 1.1 0.8 0.7 0.8 0.7 0.7 1.0 0.7 0.7 0.8 0.7 1.1 1.2 1.0 1.1 1.2 1.5 1.0 1.0 1.1 1.3 1.1 1.2 1.2 1.3
0
1.0 0.9 1.1 1.4 1.2 1.4 1.4 1.2 3.9
[1] 5lqq.a 1.1 1.1 0.9 0.9 0.9 0.9 0.9 1.1 0.8 0.7 0.9 0.8 1.2 1.1 1.1 1.2 1.0 1.3 1.1 1.2 1.2 1.1 1.1 1.5 1.4 1.4 1.0
0
0.8 1.1 1.4 1.1 1.4 1.5 1.4 4.0
[1] 5m0d.a 1.0 1.0 0.8 0.8 0.9 0.8 0.8 1.1 0.7 0.7 0.8 0.7 1.1 1.2 1.0 1.1 1.1 1.4 1.1 1.0 1.1 1.0 1.1 1.4 1.2 1.3 0.9 0.8
0
0.9 1.3 1.0 1.5 1.5 1.3 4.1
[1] 5m0e.a 0.8 1.1 0.9 1.0 1.0 0.9 1.0 1.2 0.8 0.9 0.9 0.9 0.8 1.4 0.7 0.7 1.2 1.6 1.3 0.8 0.8 1.1 1.3 1.3 1.3 1.3 1.1 1.1 0.9
0
1.3 1.3 1.6 1.5 1.3 4.0
[1] 5m0m.a 1.4 1.4 1.1 1.1 1.2 1.1 1.1 1.3 1.1 1.1 1.1 1.1 1.2 1.7 1.1 1.5 1.5 1.8 1.1 1.4 1.4 1.2 1.7 1.6 1.5 1.3 1.4 1.4 1.3 1.3
0
1.1 1.7 1.7 1.7 4.3
[1] 5m0s.a 1.4 1.3 1.1 1.0 1.1 0.9 1.0 1.2 1.0 0.9 1.0 1.0 1.3 1.6 1.1 1.4 1.2 1.6 1.1 1.4 1.5 1.1 1.4 1.5 1.4 1.4 1.2 1.1 1.0 1.3 1.1
0
1.6 1.6 1.5 4.2
[1] 5m7m.a 1.5 1.6 1.3 1.4 1.4 1.4 1.4 1.4 1.4 1.4 1.4 1.5 1.6 1.7 1.6 1.5 1.6 1.8 1.4 1.5 1.5 1.5 1.7 1.5 1.5 1.6 1.4 1.4 1.5 1.6 1.7 1.6
0
0.8 1.4 3.8
[1] 5mhp.a 1.6 1.5 1.3 1.3 1.3 1.3 1.2 1.3 1.4 1.4 1.5 1.4 1.6 1.7 1.6 1.6 1.6 1.9 1.3 1.5 1.6 1.5 1.7 1.6 1.6 1.7 1.4 1.5 1.5 1.5 1.7 1.6 0.8
0
1.3 3.8
[1] 5ohi.a 1.4 1.2 0.8 0.7 0.7 0.7 0.7 0.7 1.0 1.1 1.0 1.0 1.2 1.5 1.2 1.4 1.5 1.8 1.2 1.3 1.3 1.6 1.4 1.3 1.5 1.4 1.2 1.4 1.3 1.3 1.7 1.5 1.4 1.3
0
3.9
[2] 4zg9.b 4.0 4.2 3.7 3.6 3.6 3.6 3.6 3.7 3.6 3.6 3.6 3.7 3.6 3.9 3.6 4.0 4.0 4.0 3.7 3.9 3.9 4.1 3.9 4.1 4.1 3.8 3.9 4.0 4.1 4.0 4.3 4.2 3.8 3.8 3.9
0
[Binding site full-atom RMSD matrix]







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