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8ODP_HUMAN_42_197

7,8-dihydro-8-oxoguanine triphosphatase [Nudix hydrolase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (8ODP_HUMAN):D: Nudix hydrolase (48:50, 52, 61, 64:69, 74:79, 81, 92, 93, 97, 113, 115, 118, 122, 124, 141, 142, 157, 158, 160, 161, 164, 165)
R: Substrate binding (76:79)
R: Substrate binding (158, 160, 161)
180, 183
48:50, 52, 61, 64:69, 74:79, 81, 92, 93, 97, 113, 115, 118, 122, 124, 141, 142, 157, 158, 160, 161, 164, 165, 180, 183

Full PDB list

3q93, 3whw, 3zr0, 3zr1, 4c9w, 4c9x, 4n1t, 4n1u, 5ans, 5ant, 5anu, 5anv, 5anw, 5fsi, 5fsk, 5fsl, 5fsm, 5fsn, 5fso, 5ghi, 5ghj, 5ghm, 5ghn, 5gho, 5ghp, 5ghq, 5mzf, 5ngr, 5ngs, 5ngt, 5nhy, 5ws7, 6f1x, 6f20, 6f22, 6f23 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
Y
4
8
T
4
9
L
5
0
L
5
2
L
6
1
K
6
4
F
6
8
G
6
9
N
7
4
G
7
5
F
7
6
G
7
7
G
7
8
K
7
9
E
9
3
E
9
7
F
1
1
3
F
1
1
5
E
1
1
8
M
1
2
2
V
1
2
4
M
1
5
7
W
1
5
8
D
1
6
0
D
1
6
1
W
1
6
4
F
1
6
5
F
1
8
0
[1]3whw.a rux39 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3zr0.a 8og24 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3zr1.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4c9w.a vgh25 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4c9x.a vhs30 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4n1t.a 2gd17 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4n1u.a 2ge19 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ans.a rx823 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ant.a rje24 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5anu.a 58t26 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5anv.a rgj27 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5anw.a 9cq23 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5fsi.a 8dg32 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5fsk.a h6y32 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5fsl.a uan13 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5fsm.a n9114 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5fsn.a 6q313 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5fso.a s7610 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ghi.a 8dg,na,na34 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ghi.b 8dg,na33 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ghj.b 6u4,na32 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ghm.a 8dg,na33 . . . . . . . . . . . . . . . . . . . . . . . . N . . .
[1]5ghm.b 8dg32 . . . . . . . . . . . . . . . . . . . . . . . . N . . .
[1]5ghn.a 6u4,na,na33 . . . . . . . . . . . . . . . . . . . . . . . . N . . .
[1]5ghn.b 6u4,na32 . . . . . . . . . . . . . . . . . . . . . . . . N . . .
[1]5gho.b 8dg,na33 . . . . . . . . . . . . . . . . . . . . . . . . A . . .
[1]5ghp.b na1 . . . . . . . . . . . . . . . . . . . . . . . . A . . .
[1]5ghq.a 6u4,na,na33 . . . . . . . . . . . . . . . . . . . . . . . . A . . .
[1]5ghq.b 6u4,na32 . . . . . . . . . . . . . . . . . . . . . . . . A . . .
[1]5mzf.c none . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ngr.a 8wt12 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ngs.a 8ww19 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ngt.a 8wz16 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5nhy.a 8xt21 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ws7.b 6u4,na,na33 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]6f1x.a c9q21 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]6f20.a c9e14 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]6f22.a c9b21 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]6f23.a c8z20 . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
Y
4
8
T
4
9
L
5
0
L
5
2
L
6
1
K
6
4
K
6
5
R
6
6
G
6
7
F
6
8
G
6
9
N
7
4
G
7
5
F
7
6
G
7
7
G
7
8
K
7
9
Q
8
1
R
9
2
E
9
3
E
9
7
F
1
1
3
F
1
1
5
E
1
1
8
M
1
2
2
V
1
2
4
E
1
4
1
M
1
4
2
M
1
5
7
W
1
5
8
D
1
6
0
D
1
6
1
W
1
6
4
F
1
6
5
F
1
8
0
Q
1
8
3
[1]3whw.a . . . . . . . . . * . . . . . . . . . * . . . . . . . . . . . . . . . .
[1]3zr0.a . . . . . . . . . * . * . . . . . . . . . . . . . . . . . * . . . . . .
[1]3zr1.a . . . . . . . . . * . * . . . . . . . . . . . . * . . . . * . . . . . .
[1]4c9w.a . . . . . . . . . . . * . . . . . . . . . . . . * . . . . . . . . . . .
[1]4c9x.a . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4n1t.a . . . . . . . . . * . * . . . . . . . . . . . . * . . . . * . . . . . .
[1]4n1u.a . . . . . . . . . * . * . . . . . . . . . . . . * . . . . . . . . . . .
[1]5ans.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . * . . . . . .
[1]5ant.a . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5anu.a . . . . . . . . . * . . . . . . . . . . . . . . . . . . . * . . . . . .
[1]5anv.a . . . . . . . . . * . . . . . . . . . . . . . . * . . . . . . . . . . .
[1]5anw.a . . . . . . . . . * . * . . . . . . . . . . . . * . . . . * . . . . . .
[1]5fsi.a . . . . . . . . . * . * . . . . . . . . . . . . . . . . . * . . . . . .
[1]5fsk.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . * . . . . . .
[1]5fsl.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . * . . . * . .
[1]5fsm.a . . . . . . . . . * . . . . . . . . . . . . . . * . . . . * . . . . . .
[1]5fsn.a . . . . . . . . . * . . . . . . . . . . . . . . * . . . . . . . . . . .
[1]5fso.a . . . . . . . . . * . * . . . . . . . . . . . . * . . . . * . . . * . .
[1]5ghi.a . . . . . . . . . * . * . . . . . . . . . . . . . . . . . * . . . . . .
[1]5ghi.b . . . . . . . * . . . * . . . . . . . . . . . . . . . . . * . . . . . .
[1]5ghj.b . . . . . . . . . . . * . . . . * . . . . . . . . . . . . * . . . . . .
[1]5ghm.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . * . N . . . .
[1]5ghm.b . . . . . * . . . . . * . . . . . . . . . . . . * . . . . . . N . . . .
[1]5ghn.a . . . . . . . . . . . * . . . . . . . . . . . . * . . . . * . N . . . .
[1]5ghn.b . . . . . . . . . . . * . . . . . . . . . . . . . . . . . * . N . . . .
[1]5gho.b . . . . . . . . . . . * . . . . . . . . . . . . * . . . . . . A . . . .
[1]5ghp.b . . . . . * . . . * . * . . . . . . . . . . . . * . . . . * . A . . . .
[1]5ghq.a . . . . . . . . . . . * . . . . . . . . . . . . * . . . . * . A . . . .
[1]5ghq.b . . . . . . . . . . . * . . . . . . . . . . . . . . . . . * . A . . . .
[1]5mzf.c . . . . . * . . . * . * . . . . . . . . . . . . * . . . . * . . . . . P
[1]5ngr.a . . . . . . . . . * . . . . . . . . . . . . . . * . . . . . . . . . . .
[1]5ngs.a . . . . . . . . . * . * . . . . . . . . . . . . * . . . . * . . . . . .
[1]5ngt.a . . . . . * . . . * . * . . . . . . . . . . . . . . . . . * . . . . . .
[1]5nhy.a . . . . . . . . . * . . . . . . . . . . . . . . * . . . . * . . . . . .
[1]5ws7.b . . . . . . . . . . . * . . . . * . . . . . . . . . . . . * . . . . . .
[1]6f1x.a . . . . . . . . . * . . . . . . . . . . . . . . * . . . . * . . . . . .
[1]6f20.a . . . . . . . . . * . * . . . . . . . . . . . . * . . . . * . . . . . .
[1]6f22.a . . . . . * . . . * . . . . . . . . . . . . . . * . . . . * . . . . . .
[1]6f23.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
3whw.a:rux
3zr0.a:8og
3zr1.a is apo
4c9w.a:vgh
4c9x.a:vhs
4n1t.a:2gd
4n1u.a:2ge
5ans.a:rx8
5ant.a:rje
5anu.a:58t
5anv.a:rgj
5anw.a:9cq
5fsi.a:8dg
5fsk.a:h6y
5fsl.a:uan
5fsm.a:n91
5fsn.a:6q3
5fso.a:s76
5ghi.a:8dg,na
5ghi.b:8dg,na
5ghj.b:6u4,na
5ghm.a:8dg,na
5ghm.b:8dg
5ghn.a:6u4,na
5ghn.b:6u4,na
5gho.b:8dg,na
5ghp.b:na
5ghq.a:6u4,na
5ghq.b:6u4,na
5mzf.c is apo
5ngr.a:8wt
5ngs.a:8ww
5ngt.a:8wz
5nhy.a:8xt
5ws7.b:6u4,na
6f1x.a:c9q
6f20.a:c9e
6f22.a:c9b
6f23.a:c8z
[1] 3whw.a
0.2
0.1 - 3.6 4.2 0.4 0.4 0.3 0.7 0.7 1.6 0.3 0.3 2.5 0.1 0.2 0.1 0 1.3 0.5 0.6 3.5 4.5 0.6 0.5 4.1 0.1 0.8 0.3 - 0.1 0 0.2 1.7 1.0 0.8 0.1 1.3 1.5
[1] 3zr0.a 2.3
0.2
- 4.5 4.7 0.1 0.5 1.4 2.0 2.1 3.4 0.5 0.2 2.5 0.6 1.6 0.1 0.1 1.3 0.4 0.4 3.5 5.0 0.6 0.4 4.6 0.1 0.7 0.2 - 1.5 0.2 0.2 3.3 0.8 1.9 0 1.3 1.4
[1] 3zr1.a 3.0 0.4
-
4.0 5.1 0.3 0.5 1.5 3.1 3.0 3.6 1.1 0.6 1.9 0.9 1.8 0.1 0.1 1.1 0.7 0.5 3.4 4.3 0.4 0.3 3.7 0.1 0.7 0.3 - 1.9 0.2 0.4 3.8 0.7 2.4 0.3 1.8 1.6
[1] 4c9w.a 2.8 0.5 -
0.5
0.6 0.1 0.4 1.3 3.0 3.0 2.1 0.3 0.3 0.8 1.0 1.7 0.1 0.3 1.0 0.5 0.2 0.1 0.2 0.4 0.2 0.3 0.1 0.6 0.2 - 1.9 0.2 0.6 2.8 0.7 2.3 0.2 0.5 0.2
[1] 4c9x.a 0.9 0.3 - 0.1
0
0.1 0.3 0.3 0.8 0.8 0.8 0.4 0.1 0.5 0.1 0.6 0.2 0.2 0.9 0.3 0.4 0.3 0.9 0.4 0.3 1.0 0.1 0.6 0.4 - 0.3 0.2 0.5 1.5 0.6 1.4 0.1 0.1 0.1
[1] 4n1t.a 3.3 1.0 - 4.1 5.4
0
0.4 1.4 4.2 4.1 2.7 0.6 0.8 1.7 0.9 1.6 0 0.2 0.9 0.9 0.3 2.6 4.3 0.1 0.1 3.6 0 0.1 0.3 - 2.1 0.2 0.5 3.0 0.2 2.2 0.2 1.4 0.9
[1] 4n1u.a 2.8 0.5 - 3.4 3.8 0
0
1.4 3.4 3.5 2.8 0.6 0.6 1.3 0.6 2.0 0 0.1 0.9 0.9 0.4 3.0 4.0 0.4 0.6 3.6 0.1 0.4 0.3 - 1.8 0.3 0.2 2.6 0.5 2.0 0.4 1.2 1.0
[1] 5ans.a 1.1 0.7 - 2.1 1.9 0.6 0.6
0.1
2.0 1.6 1.5 1.2 0.6 1.4 0 0.5 0.4 0.2 1.5 0.9 0.5 0.7 0.7 0.5 0.4 0.8 0.1 0.7 0.5 - 0.1 0.3 0.6 1.2 0.6 1.1 0.3 0.3 0.8
[1] 5ant.a 1.1 0.4 - 3.9 3.6 1.5 2.0 0.4
0.2
0.1 2.5 1.1 0.4 3.5 1.3 0.2 0.3 0.3 0.7 0.6 0.6 2.9 3.6 0.7 0.8 3.1 0.2 0.8 0.6 - 0.3 0.4 0.9 2.6 0.8 1.9 0.2 2.8 2.8
[1] 5anu.a 1.0 0.6 - 3.8 4.0 1.8 1.9 0.5 0.2
0.1
2.5 1.1 0.3 3.4 1.1 0.3 0.3 0.2 0.7 0.6 0.7 3.1 4.2 0.7 0.8 3.6 0.2 0.9 0.8 - 0.3 0.3 0.7 2.7 0.9 2.1 0.2 3.2 3.0
[1] 5anv.a 0.9 0.4 - 3.1 3.4 0 0.1 0.3 1.3 1.3
0.1
0.5 0.4 0.2 0.1 0.1 0.1 0 0.9 0.6 0.3 0.9 2.2 0.4 0.3 1.9 0.2 0.7 0.3 - 0.2 0 0.4 0.9 0.5 0.7 0.1 0.1 0.1
[1] 5anw.a 3.1 0.4 - 3.9 5.2 0.1 0.4 1.6 3.8 3.8 3.8
0
0.4 2.4 1.3 2.1 0 0.4 0.6 0.5 0.1 3.8 4.5 0.4 0.3 4.6 0 0.3 0.1 - 2.3 0.1 0.1 3.7 0.1 2.6 0.2 2.2 2.2
[1] 5fsi.a 2.8 0.1 - 4.8 6.0 0 0.4 1.0 2.8 2.8 3.2 0.2
0.1
2.5 0.9 1.7 0 0.2 0.3 0.2 0.1 3.3 4.8 0.4 0.2 4.7 0.1 0.6 0.4 - 1.7 0 0.5 3.1 0.2 2.0 0.1 1.5 1.9
[1] 5fsk.a 1.1 0.2 - 2.4 1.9 0.1 0.5 0.1 1.0 1.2 0.6 0.5 0.4
0.1
0 0.3 0 0 0.9 0.8 0.5 0.1 0.3 0.2 0.1 0.8 0.1 0.3 0.2 - 0.1 0.1 0.5 0.7 0.6 0.7 0.2 0.2 0.1
[1] 5fsl.a 1.1 0.4 - 2.5 2.4 0 0.3 0.4 1.5 1.5 0.7 0.3 0.2 0.9
0
0.3 0 0.1 0.7 0.4 0.2 0.5 0.9 0.2 0.1 0.7 0.1 0.4 0.2 - 0.2 0.1 0.4 1.8 0.3 1.6 0.2 0.1 0.1
[1] 5fsm.a 0.9 0.3 - 4.8 5.7 0.1 0.3 0.1 1.2 1.2 0.6 0.1 0.1 0.7 0
0.1
0 0.1 0.9 0.6 0.2 2.4 4.0 0.4 0.2 3.1 0.1 0.7 0.1 - 0.1 0 0.5 1.3 0.5 0.8 0.1 0.5 0.7
[1] 5fsn.a 1.3 0.9 - 4.6 4.8 0.6 1.0 0.6 1.6 1.5 3.1 0.7 0.3 3.0 0.4 0.4
0
0 0.8 0.8 0.6 4.6 5.0 0.6 0.6 4.4 0.2 0.6 0.7 - 0.4 0.1 0.3 3.7 0.5 2.4 0.6 2.9 3.0
[1] 5fso.a 2.1 0.5 - 4.6 5.8 0 0.5 1.0 3.2 3.1 2.8 0.3 0.4 2.0 0.7 1.2 0
0.1
0.9 0.7 0.3 3.3 5.0 0.6 0.3 4.4 0.2 0.6 0.4 - 1.4 0.2 0.5 3.3 0.4 2.4 0.4 1.6 1.8
[1] 5ghi.a 2.9 0.8 - 5.0 5.7 0.2 1.2 1.9 3.2 3.1 4.9 0.5 0.3 3.5 1.0 2.0 0.1 0.1
0.3
0.5 0.4 4.4 5.0 0.7 0.5 5.2 0.2 0.6 0.4 - 1.8 0 0.3 4.7 0.3 2.9 0.3 2.9 3.2
[1] 5ghi.b 2.6 0.5 - 4.2 5.7 0 0.3 1.7 2.9 2.6 2.3 0.3 0 0.7 0.9 1.5 0 0.1 0.4
0.3
0.2 1.2 3.0 0.4 0.2 2.9 0.2 0.5 0.2 - 1.7 0.1 0.2 2.1 0.3 1.6 0 0.4 0.4
[1] 5ghj.b 3.0 0.7 - 3.3 4.0 0.1 0.6 2.2 3.8 3.3 2.5 0.3 0.3 1.9 1.3 1.7 0 0.2 0.6 0.5
0.2
0.4 0.9 0.8 0.4 0.7 0.1 0.6 0.2 - 2.1 0.3 0.3 2.4 0.4 2.3 0.4 1.3 1.0
[1] 5ghm.a 1.2 0.3 - 1.9 2.4 0.2 0.3 0.4 1.8 1.8 0.8 0.6 0.2 0.3 0.1 0.6 0.2 0.1 0.8 0.7 0.3
0
0 0.3 0.2 0.3 0.2 0.3 0.2 - 0.3 0.2 0.4 1.2 0.5 1.2 0.3 0.2 0.1
[1] 5ghm.b 3.5 1.0 - 2.1 2.7 0.2 0.5 2.5 3.8 3.7 3.3 0.7 0.5 0.9 1.0 2.2 0.1 0.3 1.0 1.0 0.3 0.2
0
0.2 0.3 0.4 0.1 0.3 0.3 - 2.3 0.5 0.6 3.2 0.4 2.6 0.3 0.7 0.2
[1] 5ghn.a 3.0 0.6 - 2.9 3.7 0.2 0.6 1.6 3.3 3.5 2.6 0.5 0.3 1.9 1.1 1.4 0.1 0.2 0.6 0.6 0.3 0.4 0.8
0.3
0.2 0.9 0.2 0.2 0.2 - 1.9 0.2 0.6 2.6 0.4 2.3 0.6 1.4 1.0
[1] 5ghn.b 2.7 0.9 - 3.1 3.7 0.2 0.4 2.3 3.5 3.5 2.6 0.4 0.2 2.0 1.5 1.5 0 0.2 0.6 0.6 0.3 0.3 0.8 0.3
0.1
0.7 0.1 0.4 0.1 - 1.9 0.3 0.5 2.1 0.3 2.1 0.3 1.2 1.1
[1] 5gho.b 3.6 1.1 - 1.9 2.9 0.4 0.6 2.1 4.3 4.1 2.9 0.8 0.7 1.1 1.2 2.4 0.6 0.7 1.6 1.2 0.6 0.3 0.3 0.6 0.6
0.3
0.1 0.7 0.6 - 2.5 0.6 0.6 3.1 0.6 2.8 0.4 1.1 0.8
[1] 5ghp.b 2.8 0.9 - 4.3 4.9 0.7 1.5 2.1 3.5 3.6 5.0 0.3 0.7 2.9 1.3 2.2 0.1 0.4 0.9 0.7 0.5 4.1 5.3 0.6 0.4 4.8
0.1
0.5 0.3 - 2.5 0.3 0.6 4.4 0.6 3.1 0.4 3.0 3.2
[1] 5ghq.a 3.3 0.8 - 2.7 3.3 0.3 0.6 1.3 3.5 3.6 3.4 0.4 0.7 1.3 1.2 2.6 0.2 0.4 0.7 0.7 0.3 0.6 1.0 0.4 0.3 0.9 0.2
0.2
0.3 - 2.3 0.3 0.5 3.1 0.4 2.5 0.5 1.2 1.2
[1] 5ghq.b 3.2 0.9 - 2.8 3.0 0.2 0.6 1.8 3.5 3.5 2.9 0.3 0.6 1.4 1.0 2.3 0 0.4 0.8 0.9 0.3 0.4 0.7 0.7 0.4 0.7 0.2 0.5
0.2
- 2.2 0.3 0.6 3.0 0.3 2.5 0.2 1.2 1.1
[1] 5mzf.c 3.2 1.0 - 4.9 5.2 0.8 1.6 2.0 4.0 3.5 5.1 0.6 0.5 3.1 1.5 2.2 0 0.4 0.6 0.6 0.6 4.4 5.7 0.6 0.7 4.8 0 0.7 0.7
-
2.5 0.1 0.5 5.3 0.6 3.6 0.6 3.0 3.2
[1] 5ngr.a 0.9 0.2 - 3.5 3.3 0.1 0.6 0.1 1.1 1.1 1.7 0.7 0.2 1.1 0 0.2 0.1 0 0.9 0.6 0.3 2.8 4.1 0.2 0.2 3.5 0.1 0.4 0.3 -
0.1
0 0.5 1.9 0.7 1.0 0.1 1.0 0.8
[1] 5ngs.a 2.8 0.3 - 3.9 4.9 0.2 0.7 1.4 3.1 2.8 3.7 0.4 0.3 3.0 0.8 1.8 0 0.1 1.0 0.4 0.4 4.0 4.5 0.4 0.4 4.4 0.1 0.6 0.3 - 1.6
0
0.3 3.9 0.6 2.3 0.2 2.0 2.1
[1] 5ngt.a 2.8 0.3 - 3.9 5.6 0.2 0.7 1.0 3.2 2.9 3.7 0.2 0.3 2.1 1.0 2.0 0 0.2 0.4 0.3 0.1 3.7 5.4 0 0.3 4.5 0 0.1 0 - 1.9 0
0.1
4.3 0.1 2.9 0.1 2.2 1.8
[1] 5nhy.a 0.8 0.3 - 3.9 3.9 0.1 0.5 0.4 0.8 0.9 0.6 0.4 0.1 0.5 0 0 0 0 0.7 0.3 0.1 0.7 2.5 0.2 0.1 1.6 0.1 0.1 0.2 - 0 0.1 0.5
0
0.7 0 0 0.1 0
[1] 5ws7.b 1.7 0.3 - 3.0 3.6 0.1 0.5 0.9 2.3 2.5 1.8 0.4 0.2 1.4 0.5 1.1 0 0.1 0.4 0.4 0.2 0.4 0.7 0.9 0.4 0.6 0.1 0.5 0.1 - 1.5 0.2 0.3 1.7
0.1
1.4 0.2 0.7 0.8
[1] 6f1x.a 0.7 0.2 - 3.9 4.4 0.1 0.6 0.3 0.9 1.0 1.0 0.9 0.1 1.0 0 0 0 0 0.8 0.2 0.2 2.0 3.3 0.2 0.2 2.9 0.1 0.6 0.2 - 0 0.1 0.7 0.3 0.3
0.1
0.1 0.4 0.2
[1] 6f20.a 2.7 0.3 - 3.9 5.2 0 0.3 1.5 2.5 2.5 2.5 0.3 0.2 1.3 0.9 1.5 0 0.1 1.0 0.5 0.2 2.3 3.8 0.3 0.3 3.4 0.1 0.6 0.1 - 1.7 0.1 0.3 2.3 0.5 1.8
0.1
0.6 0.5
[1] 6f22.a 1.7 0.3 - 4.0 4.3 0.1 0.5 0.7 1.7 1.8 1.2 0.7 0.2 0.9 0 0.5 0 0 1.0 0.5 0.2 1.2 3.0 0.5 0.2 2.7 0.1 0.5 0.3 - 0.2 0.4 0.7 1.1 0.4 1.2 0.1
0.1
0.2
[1] 6f23.a 1.4 0.2 - 3.2 3.4 0.1 0.2 0.5 1.8 1.8 0.9 0.7 0.1 0.7 0 0.6 0 0 1.0 0.5 0.2 0.7 2.2 0.3 0.2 1.6 0.1 0.5 0.3 - 0.5 0.2 0.3 0.8 0.4 0.8 0.1 0
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
3whw.a
3zr0.a
3zr1.a
4c9w.a
4c9x.a
4n1t.a
4n1u.a
5ans.a
5ant.a
5anu.a
5anv.a
5anw.a
5fsi.a
5fsk.a
5fsl.a
5fsm.a
5fsn.a
5fso.a
5ghi.a
5ghi.b
5ghj.b
5ghm.a
5ghm.b
5ghn.a
5ghn.b
5gho.b
5ghp.b
5ghq.a
5ghq.b
5mzf.c
5ngr.a
5ngs.a
5ngt.a
5nhy.a
5ws7.b
6f1x.a
6f20.a
6f22.a
6f23.a
[1] 3whw.a
0
.09 .15 .26 .21 .21 .16 .26 .12 .11 .15 .15 .16 .21 .22 .13 .10 .16 .18 .35 .29 .23 .29 .29 .28 .28 .17 .30 .28 .18 .11 .14 .16 .17 .27 .14 .15 .17 .17
[1] 3zr0.a .09
0
.11 .24 .26 .15 .13 .27 .19 .16 .22 .11 .10 .26 .24 .15 .15 .12 .11 .28 .24 .27 .27 .24 .23 .25 .12 .25 .23 .12 .16 .08 .11 .20 .23 .19 .09 .18 .19
[1] 3zr1.a .15 .11
0
.21 .26 .12 .09 .26 .20 .16 .18 .13 .14 .24 .22 .15 .14 .11 .16 .28 .23 .22 .21 .22 .22 .21 .12 .24 .23 .11 .11 .09 .14 .19 .26 .16 .08 .14 .16
[1] 4c9w.a .26 .24 .21
0
.09 .21 .17 .17 .21 .25 .17 .23 .24 .13 .14 .22 .24 .21 .27 .21 .15 .11 .10 .10 .13 .12 .24 .13 .14 .23 .21 .22 .25 .20 .14 .24 .18 .20 .16
[1] 4c9x.a .21 .26 .26 .09
0
.27 .22 .15 .14 .17 .13 .26 .26 .11 .11 .18 .21 .25 .29 .28 .22 .13 .19 .17 .20 .21 .28 .21 .21 .28 .17 .27 .28 .15 .18 .20 .22 .19 .15
[1] 4n1t.a .21 .15 .12 .21 .27
0
.06 .26 .19 .18 .18 .08 .10 .22 .20 .14 .14 .11 .10 .26 .18 .23 .20 .17 .19 .18 .07 .16 .16 .08 .14 .08 .08 .19 .22 .17 .08 .18 .17
[1] 4n1u.a .16 .13 .09 .17 .22 .06
0
.22 .16 .14 .15 .09 .10 .21 .19 .14 .13 .11 .12 .25 .20 .20 .19 .18 .20 .17 .11 .18 .18 .11 .09 .08 .12 .16 .21 .15 .08 .15 .14
[1] 5ans.a .26 .27 .26 .17 .15 .26 .22
0
.25 .23 .18 .29 .29 .12 .13 .21 .22 .28 .31 .25 .19 .13 .20 .17 .19 .18 .31 .18 .19 .30 .19 .24 .31 .16 .16 .18 .22 .19 .17
[1] 5ant.a .12 .19 .20 .21 .14 .19 .16 .25
0
.05 .12 .18 .19 .15 .19 .12 .12 .18 .21 .34 .30 .19 .26 .25 .27 .26 .21 .28 .29 .22 .11 .21 .19 .16 .27 .16 .16 .19 .19
[1] 5anu.a .11 .16 .16 .25 .17 .18 .14 .23 .05
0
.13 .16 .15 .15 .19 .11 .09 .16 .18 .33 .29 .19 .28 .24 .27 .25 .18 .26 .28 .19 .09 .17 .17 .15 .26 .15 .15 .18 .18
[1] 5anv.a .15 .22 .18 .17 .13 .18 .15 .18 .12 .13
0
.17 .21 .09 .13 .12 .12 .17 .25 .29 .24 .13 .20 .19 .21 .20 .20 .21 .22 .22 .10 .21 .21 .09 .22 .10 .16 .13 .11
[1] 5anw.a .15 .11 .13 .23 .26 .08 .09 .29 .18 .16 .17
0
.06 .22 .22 .14 .12 .06 .09 .27 .20 .26 .21 .17 .19 .21 .06 .16 .17 .08 .15 .08 .04 .20 .22 .20 .10 .20 .21
[1] 5fsi.a .16 .10 .14 .24 .26 .10 .10 .29 .19 .15 .21 .06
0
.25 .22 .13 .15 .07 .06 .26 .17 .26 .25 .16 .18 .23 .09 .16 .17 .09 .17 .08 .08 .21 .17 .20 .11 .20 .19
[1] 5fsk.a .21 .26 .24 .13 .11 .22 .21 .12 .15 .15 .09 .22 .25
0
.09 .15 .15 .22 .27 .23 .18 .07 .16 .13 .15 .15 .24 .14 .16 .26 .15 .24 .25 .12 .16 .14 .20 .17 .14
[1] 5fsl.a .22 .24 .22 .14 .11 .20 .19 .13 .19 .19 .13 .22 .22 .09
0
.13 .14 .17 .25 .22 .16 .10 .15 .13 .15 .16 .23 .16 .16 .22 .15 .22 .21 .13 .15 .17 .19 .15 .13
[1] 5fsm.a .13 .15 .15 .22 .18 .14 .14 .21 .12 .11 .12 .14 .13 .15 .13
0
.10 .11 .15 .29 .22 .19 .26 .20 .21 .25 .16 .22 .21 .13 .08 .13 .16 .13 .21 .11 .10 .13 .14
[1] 5fsn.a .10 .15 .14 .24 .21 .14 .13 .22 .12 .09 .12 .12 .15 .15 .14 .10
0
.09 .15 .32 .28 .20 .24 .24 .25 .25 .15 .26 .26 .13 .07 .13 .11 .15 .26 .13 .15 .16 .17
[1] 5fso.a .16 .12 .11 .21 .25 .11 .11 .28 .18 .16 .17 .06 .07 .22 .17 .11 .09
0
.11 .29 .22 .25 .22 .17 .19 .23 .10 .19 .20 .07 .15 .09 .08 .21 .21 .20 .11 .20 .20
[1] 5ghi.a .18 .11 .16 .27 .29 .10 .12 .31 .21 .18 .25 .09 .06 .27 .25 .15 .15 .11
0
.25 .18 .29 .25 .20 .19 .23 .08 .19 .17 .08 .19 .09 .07 .21 .21 .22 .12 .21 .21
[1] 5ghi.b .35 .28 .28 .21 .28 .26 .25 .25 .34 .33 .29 .27 .26 .23 .22 .29 .32 .29 .25
0
.15 .21 .17 .16 .14 .17 .26 .16 .13 .28 .31 .27 .27 .24 .17 .29 .24 .26 .23
[1] 5ghj.b .29 .24 .23 .15 .22 .18 .20 .19 .30 .29 .24 .20 .17 .18 .16 .22 .28 .22 .18 .15
0
.15 .12 .05 .04 .11 .18 .06 .04 .20 .26 .21 .21 .20 .05 .24 .19 .20 .16
[1] 5ghm.a .23 .27 .22 .11 .13 .23 .20 .13 .19 .19 .13 .26 .26 .07 .10 .19 .20 .25 .29 .21 .15
0
.12 .12 .14 .14 .25 .15 .16 .28 .17 .26 .27 .16 .14 .19 .22 .17 .13
[1] 5ghm.b .29 .27 .21 .10 .19 .20 .19 .20 .26 .28 .20 .21 .25 .16 .15 .26 .24 .22 .25 .17 .12 .12
0
.11 .10 .08 .21 .12 .11 .21 .25 .24 .19 .22 .16 .26 .22 .20 .17
[1] 5ghn.a .29 .24 .22 .10 .17 .17 .18 .17 .25 .24 .19 .17 .16 .13 .13 .20 .24 .17 .20 .16 .05 .12 .11
0
.05 .12 .19 .05 .07 .19 .23 .20 .19 .20 .07 .25 .16 .21 .18
[1] 5ghn.b .28 .23 .22 .13 .20 .19 .20 .19 .27 .27 .21 .19 .18 .15 .15 .21 .25 .19 .19 .14 .04 .14 .10 .05
0
.13 .19 .08 .06 .19 .24 .21 .19 .19 .07 .23 .17 .18 .16
[1] 5gho.b .28 .25 .21 .12 .21 .18 .17 .18 .26 .25 .20 .21 .23 .15 .16 .25 .25 .23 .23 .17 .11 .14 .08 .12 .13
0
.16 .08 .06 .21 .23 .21 .21 .19 .14 .23 .21 .22 .17
[1] 5ghp.b .17 .12 .12 .24 .28 .07 .11 .31 .21 .18 .20 .06 .09 .24 .23 .16 .15 .10 .08 .26 .18 .25 .21 .19 .19 .16
0
.16 .14 .07 .17 .07 .06 .18 .23 .19 .11 .19 .19
[1] 5ghq.a .30 .25 .24 .13 .21 .16 .18 .18 .28 .26 .21 .16 .16 .14 .16 .22 .26 .19 .19 .16 .06 .15 .12 .05 .08 .08 .16
0
.03 .20 .24 .19 .19 .19 .08 .24 .19 .24 .19
[1] 5ghq.b .28 .23 .23 .14 .21 .16 .18 .19 .29 .28 .22 .17 .17 .16 .16 .21 .26 .20 .17 .13 .04 .16 .11 .07 .06 .06 .14 .03
0
.18 .24 .18 .18 .18 .08 .22 .18 .21 .17
[1] 5mzf.c .18 .12 .11 .23 .28 .08 .11 .30 .22 .19 .22 .08 .09 .26 .22 .13 .13 .07 .08 .28 .20 .28 .21 .19 .19 .21 .07 .20 .18
0
.16 .08 .06 .21 .24 .21 .10 .18 .19
[1] 5ngr.a .11 .16 .11 .21 .17 .14 .09 .19 .11 .09 .10 .15 .17 .15 .15 .08 .07 .15 .19 .31 .26 .17 .25 .23 .24 .23 .17 .24 .24 .16
0
.14 .17 .11 .25 .09 .11 .12 .12
[1] 5ngs.a .14 .08 .09 .22 .27 .08 .08 .24 .21 .17 .21 .08 .08 .24 .22 .13 .13 .09 .09 .27 .21 .26 .24 .20 .21 .21 .07 .19 .18 .08 .14
0
.09 .19 .22 .17 .07 .16 .16
[1] 5ngt.a .16 .11 .14 .25 .28 .08 .12 .31 .19 .17 .21 .04 .08 .25 .21 .16 .11 .08 .07 .27 .21 .27 .19 .19 .19 .21 .06 .19 .18 .06 .17 .09
0
.21 .24 .22 .12 .20 .21
[1] 5nhy.a .17 .20 .19 .20 .15 .19 .16 .16 .16 .15 .09 .20 .21 .12 .13 .13 .15 .21 .21 .24 .20 .16 .22 .20 .19 .19 .18 .19 .18 .21 .11 .19 .21
0
.21 .07 .15 .11 .08
[1] 5ws7.b .27 .23 .26 .14 .18 .22 .21 .16 .27 .26 .22 .22 .17 .16 .15 .21 .26 .21 .21 .17 .05 .14 .16 .07 .07 .14 .23 .08 .08 .24 .25 .22 .24 .21
0
.24 .19 .19 .17
[1] 6f1x.a .14 .19 .16 .24 .20 .17 .15 .18 .16 .15 .10 .20 .20 .14 .17 .11 .13 .20 .22 .29 .24 .19 .26 .25 .23 .23 .19 .24 .22 .21 .09 .17 .22 .07 .24
0
.14 .09 .10
[1] 6f20.a .15 .09 .08 .18 .22 .08 .08 .22 .16 .15 .16 .10 .11 .20 .19 .10 .15 .11 .12 .24 .19 .22 .22 .16 .17 .21 .11 .19 .18 .10 .11 .07 .12 .15 .19 .14
0
.12 .14
[1] 6f22.a .17 .18 .14 .20 .19 .18 .15 .19 .19 .18 .13 .20 .20 .17 .15 .13 .16 .20 .21 .26 .20 .17 .20 .21 .18 .22 .19 .24 .21 .18 .12 .16 .20 .11 .19 .09 .12
0
.06
[1] 6f23.a .17 .19 .16 .16 .15 .17 .14 .17 .19 .18 .11 .21 .19 .14 .13 .14 .17 .20 .21 .23 .16 .13 .17 .18 .16 .17 .19 .19 .17 .19 .12 .16 .21 .08 .17 .10 .14 .06
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
3whw.a
3zr0.a
3zr1.a
4c9w.a
4c9x.a
4n1t.a
4n1u.a
5ans.a
5ant.a
5anu.a
5anv.a
5anw.a
5fsi.a
5fsk.a
5fsl.a
5fsm.a
5fsn.a
5fso.a
5ghi.a
5ghi.b
5ghj.b
5ghm.a
5ghm.b
5ghn.a
5ghn.b
5gho.b
5ghp.b
5ghq.a
5ghq.b
5mzf.c
5ngr.a
5ngs.a
5ngt.a
5nhy.a
5ws7.b
6f1x.a
6f20.a
6f22.a
6f23.a
[1] 3whw.a
0
0.3 0.3 0.7 1.0 0.7 0.7 1.9 0.9 0.8 0.6 0.7 0.7 0.7 0.6 0.6 0.6 0.6 0.7 2.4 1.5 1.3 0.9 1.4 1.5 1.5 0.6 1.3 1.4 0.7 0.4 0.4 0.7 0.5 1.7 0.3 0.3 0.5 0.5
[1] 3zr0.a 0.3
0
0.3 0.7 1.0 0.6 0.5 1.8 1.0 0.8 0.6 0.7 0.6 0.7 0.6 0.6 0.6 0.6 0.6 2.5 1.5 1.4 0.9 1.4 1.6 1.5 0.6 1.4 1.4 0.7 0.5 0.3 0.7 0.5 1.7 0.3 0.3 0.4 0.5
[1] 3zr1.a 0.3 0.3
0
0.7 1.0 0.6 0.6 1.8 1.0 0.8 0.6 0.7 0.6 0.6 0.6 0.5 0.6 0.6 0.5 2.4 1.5 1.3 0.9 1.4 1.5 1.4 0.5 1.3 1.4 0.6 0.4 0.4 0.7 0.4 1.6 0.2 0.2 0.3 0.3
[1] 4c9w.a 0.7 0.7 0.7
0
0.4 0.5 0.6 1.6 0.6 0.4 0.4 0.6 0.7 0.5 0.6 0.5 0.5 0.5 0.8 2.5 1.2 1.0 0.7 1.1 1.2 1.1 0.6 1.0 1.1 0.9 0.6 0.7 0.5 0.8 1.2 0.7 0.7 0.8 0.8
[1] 4c9x.a 1.0 1.0 1.0 0.4
0
0.8 0.9 1.3 0.7 0.7 0.7 0.9 1.0 0.8 0.9 0.8 0.8 0.8 1.1 2.6 0.9 0.8 0.8 0.8 1.0 0.9 0.9 0.8 0.9 1.2 0.8 1.0 0.8 1.0 1.0 1.0 0.9 1.1 1.0
[1] 4n1t.a 0.7 0.6 0.6 0.5 0.8
0
0.6 1.9 0.9 0.6 0.4 0.4 0.3 0.5 0.3 0.3 0.3 0.3 0.5 2.5 1.5 1.3 0.9 1.4 1.5 1.4 0.5 1.2 1.4 0.6 0.6 0.5 0.2 0.7 1.6 0.6 0.5 0.6 0.6
[1] 4n1u.a 0.7 0.5 0.6 0.6 0.9 0.6
0
1.8 1.0 0.8 0.7 0.7 0.7 0.8 0.7 0.7 0.7 0.7 0.7 2.5 1.4 1.3 0.9 1.4 1.4 1.4 0.6 1.3 1.3 0.8 0.6 0.5 0.6 0.7 1.6 0.6 0.5 0.7 0.6
[1] 5ans.a 1.9 1.8 1.8 1.6 1.3 1.9 1.8
0
1.8 1.8 1.8 1.9 2.1 1.7 2.0 1.9 1.9 1.9 2.1 2.7 0.9 1.1 1.3 1.0 0.9 0.9 1.9 1.1 1.0 2.1 1.6 1.9 1.9 1.8 0.9 1.8 1.8 1.9 1.8
[1] 5ant.a 0.9 1.0 1.0 0.6 0.7 0.9 1.0 1.8
0
0.4 0.8 0.9 1.0 0.9 0.9 0.8 0.7 0.8 1.1 2.7 1.4 1.3 1.1 1.3 1.4 1.4 1.0 1.3 1.4 1.2 0.8 0.9 0.8 1.1 1.4 1.0 1.0 1.2 1.1
[1] 5anu.a 0.8 0.8 0.8 0.4 0.7 0.6 0.8 1.8 0.4
0
0.5 0.7 0.7 0.7 0.7 0.6 0.5 0.6 0.9 2.6 1.4 1.3 1.0 1.3 1.4 1.4 0.7 1.2 1.4 1.0 0.7 0.8 0.5 0.9 1.5 0.8 0.8 1.0 0.9
[1] 5anv.a 0.6 0.6 0.6 0.4 0.7 0.4 0.7 1.8 0.8 0.5
0
0.5 0.5 0.3 0.3 0.2 0.3 0.3 0.6 2.4 1.3 1.1 0.7 1.2 1.4 1.3 0.5 1.1 1.2 0.7 0.5 0.6 0.4 0.6 1.4 0.6 0.6 0.7 0.6
[1] 5anw.a 0.7 0.7 0.7 0.6 0.9 0.4 0.7 1.9 0.9 0.7 0.5
0
0.4 0.7 0.4 0.4 0.4 0.3 0.6 2.5 1.5 1.3 0.9 1.4 1.5 1.4 0.6 1.3 1.4 0.6 0.7 0.6 0.3 0.8 1.6 0.7 0.6 0.8 0.7
[1] 5fsi.a 0.7 0.6 0.6 0.7 1.0 0.3 0.7 2.1 1.0 0.7 0.5 0.4
0
0.7 0.3 0.4 0.4 0.4 0.5 2.5 1.7 1.5 1.0 1.5 1.7 1.6 0.5 1.4 1.6 0.6 0.7 0.5 0.4 0.7 1.8 0.6 0.6 0.7 0.7
[1] 5fsk.a 0.7 0.7 0.6 0.5 0.8 0.5 0.8 1.7 0.9 0.7 0.3 0.7 0.7
0
0.5 0.4 0.5 0.4 0.7 2.2 1.2 1.0 0.6 1.1 1.2 1.1 0.5 0.9 1.1 0.8 0.5 0.8 0.6 0.5 1.3 0.6 0.6 0.7 0.6
[1] 5fsl.a 0.6 0.6 0.6 0.6 0.9 0.3 0.7 2.0 0.9 0.7 0.3 0.4 0.3 0.5
0
0.3 0.3 0.2 0.5 2.4 1.5 1.3 0.9 1.4 1.6 1.5 0.5 1.3 1.4 0.5 0.6 0.6 0.3 0.6 1.7 0.6 0.5 0.6 0.6
[1] 5fsm.a 0.6 0.6 0.5 0.5 0.8 0.3 0.7 1.9 0.8 0.6 0.2 0.4 0.4 0.4 0.3
0
0.2 0.2 0.6 2.4 1.5 1.2 0.8 1.3 1.5 1.4 0.5 1.2 1.4 0.6 0.5 0.6 0.3 0.6 1.6 0.5 0.5 0.7 0.6
[1] 5fsn.a 0.6 0.6 0.6 0.5 0.8 0.3 0.7 1.9 0.7 0.5 0.3 0.4 0.4 0.5 0.3 0.2
0
0.2 0.6 2.5 1.5 1.3 0.9 1.4 1.6 1.5 0.5 1.3 1.4 0.7 0.6 0.6 0.3 0.7 1.6 0.6 0.6 0.8 0.7
[1] 5fso.a 0.6 0.6 0.6 0.5 0.8 0.3 0.7 1.9 0.8 0.6 0.3 0.3 0.4 0.4 0.2 0.2 0.2
0
0.6 2.4 1.5 1.3 0.9 1.3 1.5 1.4 0.5 1.2 1.4 0.7 0.6 0.6 0.3 0.7 1.6 0.6 0.5 0.7 0.7
[1] 5ghi.a 0.7 0.6 0.5 0.8 1.1 0.5 0.7 2.1 1.1 0.9 0.6 0.6 0.5 0.7 0.5 0.6 0.6 0.6
0
2.5 1.6 1.5 1.0 1.6 1.6 1.6 0.4 1.4 1.5 0.4 0.7 0.5 0.6 0.5 1.8 0.6 0.5 0.6 0.6
[1] 5ghi.b 2.4 2.5 2.4 2.5 2.6 2.5 2.5 2.7 2.7 2.6 2.4 2.5 2.5 2.2 2.4 2.4 2.5 2.4 2.5
0
2.4 2.3 2.2 2.4 2.4 2.4 2.4 2.3 2.4 2.5 2.4 2.5 2.5 2.3 2.5 2.4 2.4 2.3 2.3
[1] 5ghj.b 1.5 1.5 1.5 1.2 0.9 1.5 1.4 0.9 1.4 1.4 1.3 1.5 1.7 1.2 1.5 1.5 1.5 1.5 1.6 2.4
0
0.4 0.8 0.4 0.2 0.2 1.4 0.4 0.2 1.6 1.3 1.6 1.4 1.4 0.3 1.4 1.5 1.5 1.4
[1] 5ghm.a 1.3 1.4 1.3 1.0 0.8 1.3 1.3 1.1 1.3 1.3 1.1 1.3 1.5 1.0 1.3 1.2 1.3 1.3 1.5 2.3 0.4
0
0.6 0.3 0.4 0.4 1.2 0.2 0.4 1.5 1.1 1.4 1.3 1.2 0.6 1.3 1.3 1.3 1.2
[1] 5ghm.b 0.9 0.9 0.9 0.7 0.8 0.9 0.9 1.3 1.1 1.0 0.7 0.9 1.0 0.6 0.9 0.8 0.9 0.9 1.0 2.2 0.8 0.6
0
0.7 0.8 0.7 0.8 0.6 0.7 1.0 0.7 1.0 0.9 0.8 0.9 0.8 0.8 0.8 0.7
[1] 5ghn.a 1.4 1.4 1.4 1.1 0.8 1.4 1.4 1.0 1.3 1.3 1.2 1.4 1.5 1.1 1.4 1.3 1.4 1.3 1.6 2.4 0.4 0.3 0.7
0
0.3 0.4 1.3 0.3 0.4 1.5 1.2 1.5 1.3 1.4 0.5 1.4 1.4 1.4 1.3
[1] 5ghn.b 1.5 1.6 1.5 1.2 1.0 1.5 1.4 0.9 1.4 1.4 1.4 1.5 1.7 1.2 1.6 1.5 1.6 1.5 1.6 2.4 0.2 0.4 0.8 0.3
0
0.3 1.4 0.4 0.3 1.7 1.3 1.6 1.5 1.4 0.3 1.5 1.5 1.5 1.4
[1] 5gho.b 1.5 1.5 1.4 1.1 0.9 1.4 1.4 0.9 1.4 1.4 1.3 1.4 1.6 1.1 1.5 1.4 1.5 1.4 1.6 2.4 0.2 0.4 0.7 0.4 0.3
0
1.3 0.4 0.2 1.6 1.2 1.5 1.4 1.4 0.4 1.4 1.4 1.4 1.3
[1] 5ghp.b 0.6 0.6 0.5 0.6 0.9 0.5 0.6 1.9 1.0 0.7 0.5 0.6 0.5 0.5 0.5 0.5 0.5 0.5 0.4 2.4 1.4 1.2 0.8 1.3 1.4 1.3
0
1.2 1.3 0.5 0.6 0.6 0.5 0.5 1.5 0.5 0.5 0.6 0.5
[1] 5ghq.a 1.3 1.4 1.3 1.0 0.8 1.2 1.3 1.1 1.3 1.2 1.1 1.3 1.4 0.9 1.3 1.2 1.3 1.2 1.4 2.3 0.4 0.2 0.6 0.3 0.4 0.4 1.2
0
0.4 1.4 1.1 1.4 1.2 1.2 0.6 1.2 1.3 1.3 1.2
[1] 5ghq.b 1.4 1.4 1.4 1.1 0.9 1.4 1.3 1.0 1.4 1.4 1.2 1.4 1.6 1.1 1.4 1.4 1.4 1.4 1.5 2.4 0.2 0.4 0.7 0.4 0.3 0.2 1.3 0.4
0
1.6 1.2 1.5 1.4 1.3 0.4 1.3 1.4 1.4 1.3
[1] 5mzf.c 0.7 0.7 0.6 0.9 1.2 0.6 0.8 2.1 1.2 1.0 0.7 0.6 0.6 0.8 0.5 0.6 0.7 0.7 0.4 2.5 1.6 1.5 1.0 1.5 1.7 1.6 0.5 1.4 1.6
0
0.7 0.6 0.7 0.6 1.8 0.6 0.5 0.6 0.6
[1] 5ngr.a 0.4 0.5 0.4 0.6 0.8 0.6 0.6 1.6 0.8 0.7 0.5 0.7 0.7 0.5 0.6 0.5 0.6 0.6 0.7 2.4 1.3 1.1 0.7 1.2 1.3 1.2 0.6 1.1 1.2 0.7
0
0.5 0.6 0.5 1.4 0.4 0.4 0.5 0.5
[1] 5ngs.a 0.4 0.3 0.4 0.7 1.0 0.5 0.5 1.9 0.9 0.8 0.6 0.6 0.5 0.8 0.6 0.6 0.6 0.6 0.5 2.5 1.6 1.4 1.0 1.5 1.6 1.5 0.6 1.4 1.5 0.6 0.5
0
0.6 0.5 1.7 0.4 0.2 0.5 0.5
[1] 5ngt.a 0.7 0.7 0.7 0.5 0.8 0.2 0.6 1.9 0.8 0.5 0.4 0.3 0.4 0.6 0.3 0.3 0.3 0.3 0.6 2.5 1.4 1.3 0.9 1.3 1.5 1.4 0.5 1.2 1.4 0.7 0.6 0.6
0
0.7 1.6 0.7 0.6 0.7 0.7
[1] 5nhy.a 0.5 0.5 0.4 0.8 1.0 0.7 0.7 1.8 1.1 0.9 0.6 0.8 0.7 0.5 0.6 0.6 0.7 0.7 0.5 2.3 1.4 1.2 0.8 1.4 1.4 1.4 0.5 1.2 1.3 0.6 0.5 0.5 0.7
0
1.6 0.2 0.4 0.4 0.3
[1] 5ws7.b 1.7 1.7 1.6 1.2 1.0 1.6 1.6 0.9 1.4 1.5 1.4 1.6 1.8 1.3 1.7 1.6 1.6 1.6 1.8 2.5 0.3 0.6 0.9 0.5 0.3 0.4 1.5 0.6 0.4 1.8 1.4 1.7 1.6 1.6
0
1.6 1.6 1.7 1.6
[1] 6f1x.a 0.3 0.3 0.2 0.7 1.0 0.6 0.6 1.8 1.0 0.8 0.6 0.7 0.6 0.6 0.6 0.5 0.6 0.6 0.6 2.4 1.4 1.3 0.8 1.4 1.5 1.4 0.5 1.2 1.3 0.6 0.4 0.4 0.7 0.2 1.6
0
0.3 0.3 0.3
[1] 6f20.a 0.3 0.3 0.2 0.7 0.9 0.5 0.5 1.8 1.0 0.8 0.6 0.6 0.6 0.6 0.5 0.5 0.6 0.5 0.5 2.4 1.5 1.3 0.8 1.4 1.5 1.4 0.5 1.3 1.4 0.5 0.4 0.2 0.6 0.4 1.6 0.3
0
0.3 0.3
[1] 6f22.a 0.5 0.4 0.3 0.8 1.1 0.6 0.7 1.9 1.2 1.0 0.7 0.8 0.7 0.7 0.6 0.7 0.8 0.7 0.6 2.3 1.5 1.3 0.8 1.4 1.5 1.4 0.6 1.3 1.4 0.6 0.5 0.5 0.7 0.4 1.7 0.3 0.3
0
0.2
[1] 6f23.a 0.5 0.5 0.3 0.8 1.0 0.6 0.6 1.8 1.1 0.9 0.6 0.7 0.7 0.6 0.6 0.6 0.7 0.7 0.6 2.3 1.4 1.2 0.7 1.3 1.4 1.3 0.5 1.2 1.3 0.6 0.5 0.5 0.7 0.3 1.6 0.3 0.3 0.2
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.8 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
3whw.a
3zr0.a
3zr1.a
4c9w.a
4c9x.a
4n1t.a
4n1u.a
5ans.a
5ant.a
5anu.a
5anv.a
5anw.a
5fsi.a
5fsk.a
5fsl.a
5fsm.a
5fsn.a
5fso.a
5ghi.a
5ghi.b
5ghj.b
5ghm.a
5ghm.b
5ghn.a
5ghn.b
5gho.b
5ghp.b
5ghq.a
5ghq.b
5mzf.c
5ngr.a
5ngs.a
5ngt.a
5nhy.a
5ws7.b
6f1x.a
6f20.a
6f22.a
6f23.a
[1] 3whw.a
0
0.5 0.6 1.1 1.3 1.1 1.4 2.5 1.4 1.1 0.9 0.9 0.9 0.9 0.8 0.8 0.8 0.8 1.1 3.6 2.0 1.8 1.5 1.8 2.0 2.0 1.0 1.7 2.2 1.0 1.0 0.7 1.2 0.8 2.2 0.7 0.7 1.0 1.0
[1] 3zr0.a 0.5
0
0.4 1.0 1.3 0.9 1.2 2.6 1.4 1.2 0.9 0.8 0.7 0.9 0.8 0.8 0.8 0.8 1.0 3.6 2.0 1.8 1.5 1.8 2.0 1.9 1.0 1.6 2.2 1.0 1.1 0.6 1.2 0.8 2.2 0.7 0.6 1.0 1.0
[1] 3zr1.a 0.6 0.4
0
1.0 1.4 0.9 1.3 2.6 1.4 1.2 0.9 0.9 0.8 0.9 0.8 0.8 0.8 0.8 1.0 3.6 2.0 1.7 1.4 1.8 2.0 1.9 0.9 1.6 2.1 0.9 1.0 0.6 1.2 0.8 2.2 0.7 0.6 0.9 0.9
[1] 4c9w.a 1.1 1.0 1.0
0
0.6 0.8 1.1 1.6 1.0 0.9 0.7 0.7 0.7 0.9 0.8 0.8 0.7 0.6 1.2 2.8 1.2 1.2 0.8 1.2 1.2 1.1 0.8 1.1 1.2 1.2 0.9 0.9 0.9 1.1 1.4 1.1 0.9 1.2 1.1
[1] 4c9x.a 1.3 1.3 1.4 0.6
0
1.2 1.3 2.2 1.2 1.1 0.9 1.1 1.1 1.0 0.9 1.0 1.0 1.0 1.7 3.7 1.6 1.3 1.4 1.4 1.4 1.4 1.3 1.4 1.7 1.7 1.1 1.4 1.2 1.4 1.5 1.5 1.4 1.6 1.4
[1] 4n1t.a 1.1 0.9 0.9 0.8 1.2
0
1.1 2.6 1.3 1.1 0.7 0.5 0.5 0.8 0.6 0.7 0.6 0.5 1.1 3.6 1.9 1.6 1.4 1.7 1.8 1.7 1.0 1.5 1.9 1.3 1.1 1.0 0.9 1.1 2.0 1.1 1.0 1.3 1.2
[1] 4n1u.a 1.4 1.2 1.3 1.1 1.3 1.1
0
2.6 1.6 1.3 1.0 0.9 0.8 1.1 1.0 1.0 1.0 1.0 1.6 3.7 2.0 1.8 1.8 1.9 1.8 1.7 1.3 1.8 1.9 1.7 1.1 1.3 1.3 1.5 2.0 1.5 1.4 1.6 1.5
[1] 5ans.a 2.5 2.6 2.6 1.6 2.2 2.6 2.6
0
2.7 2.5 2.2 2.5 2.5 1.5 1.7 2.4 2.5 2.4 2.7 3.1 1.8 1.9 1.9 1.8 1.9 2.0 2.7 1.8 2.0 2.8 2.4 2.6 2.7 2.4 1.9 2.4 2.5 2.5 2.3
[1] 5ant.a 1.4 1.4 1.4 1.0 1.2 1.3 1.6 2.7
0
0.6 1.2 1.2 1.2 1.1 1.0 1.1 1.0 1.1 1.6 3.8 2.2 1.9 1.8 1.8 2.1 2.0 1.4 1.8 2.3 1.7 1.3 1.3 1.2 1.6 2.0 1.6 1.4 1.8 1.7
[1] 5anu.a 1.1 1.2 1.2 0.9 1.1 1.1 1.3 2.5 0.6
0
1.1 1.1 1.1 0.9 0.9 0.9 0.8 1.0 1.2 2.9 2.1 1.9 1.8 1.8 2.0 1.9 1.2 1.8 2.1 1.3 1.0 1.1 1.1 1.4 1.9 1.2 1.2 1.5 1.4
[1] 5anv.a 0.9 0.9 0.9 0.7 0.9 0.7 1.0 2.2 1.2 1.1
0
0.8 0.8 0.4 0.5 0.5 0.6 0.6 1.1 2.6 1.6 1.3 1.1 1.3 1.4 1.4 0.9 1.3 1.6 1.0 0.8 1.0 0.8 0.8 1.6 0.8 0.8 1.1 0.8
[1] 5anw.a 0.9 0.8 0.9 0.7 1.1 0.5 0.9 2.5 1.2 1.1 0.8
0
0.6 0.9 0.7 0.7 0.6 0.5 0.9 2.7 1.9 1.7 1.4 1.7 1.8 1.6 0.8 1.6 1.9 0.8 1.0 0.8 0.6 1.1 1.9 1.0 0.8 1.2 1.1
[1] 5fsi.a 0.9 0.7 0.8 0.7 1.1 0.5 0.8 2.5 1.2 1.1 0.8 0.6
0
0.8 0.7 0.7 0.6 0.5 0.8 2.7 1.9 1.7 1.5 1.7 1.8 1.7 0.8 1.6 1.9 0.8 0.9 0.8 0.7 0.9 1.9 0.8 0.7 1.1 0.9
[1] 5fsk.a 0.9 0.9 0.9 0.9 1.0 0.8 1.1 1.5 1.1 0.9 0.4 0.9 0.8
0
0.6 0.5 0.5 0.6 1.0 2.2 1.2 1.0 0.8 1.1 1.2 1.1 0.9 1.0 1.1 0.9 0.8 1.0 0.9 0.7 1.4 0.8 0.8 1.0 0.7
[1] 5fsl.a 0.8 0.8 0.8 0.8 0.9 0.6 1.0 1.7 1.0 0.9 0.5 0.7 0.7 0.6
0
0.4 0.5 0.5 0.9 2.4 1.4 1.1 1.0 1.3 1.4 1.3 0.8 1.3 1.3 0.8 0.7 0.8 0.8 0.8 1.5 0.8 0.8 1.0 0.8
[1] 5fsm.a 0.8 0.8 0.8 0.8 1.0 0.7 1.0 2.4 1.1 0.9 0.5 0.7 0.7 0.5 0.4
0
0.5 0.5 0.9 2.6 1.8 1.5 1.4 1.5 1.6 1.6 0.9 1.5 1.8 0.9 0.7 0.8 0.8 0.8 1.8 0.8 0.7 1.1 0.8
[1] 5fsn.a 0.8 0.8 0.8 0.7 1.0 0.6 1.0 2.5 1.0 0.8 0.6 0.6 0.6 0.5 0.5 0.5
0
0.4 1.0 2.8 2.0 1.7 1.5 1.7 1.8 1.8 0.8 1.7 2.0 0.8 0.8 0.8 0.7 1.0 1.9 0.8 0.8 1.1 1.0
[1] 5fso.a 0.8 0.8 0.8 0.6 1.0 0.5 1.0 2.4 1.1 1.0 0.6 0.5 0.5 0.6 0.5 0.5 0.4
0
0.9 2.7 1.8 1.6 1.4 1.6 1.7 1.6 0.7 1.5 1.8 0.8 0.8 0.8 0.6 0.9 1.8 0.9 0.7 1.1 1.0
[1] 5ghi.a 1.1 1.0 1.0 1.2 1.7 1.1 1.6 2.7 1.6 1.2 1.1 0.9 0.8 1.0 0.9 0.9 1.0 0.9
0
3.5 2.2 2.0 1.7 2.0 2.2 2.2 1.1 1.8 2.4 0.9 1.4 0.9 1.3 1.1 2.3 1.1 1.0 1.3 1.1
[1] 5ghi.b 3.6 3.6 3.6 2.8 3.7 3.6 3.7 3.1 3.8 2.9 2.6 2.7 2.7 2.2 2.4 2.6 2.8 2.7 3.5
0
3.6 3.5 3.2 3.4 3.6 3.7 3.5 3.4 3.6 3.5 3.5 3.6 3.6 3.4 3.5 3.4 3.5 3.5 3.4
[1] 5ghj.b 2.0 2.0 2.0 1.2 1.6 1.9 2.0 1.8 2.2 2.1 1.6 1.9 1.9 1.2 1.4 1.8 2.0 1.8 2.2 3.6
0
0.9 1.2 1.0 0.7 0.8 1.9 1.0 0.8 2.3 1.9 2.1 2.0 1.9 1.2 2.0 1.9 2.1 1.9
[1] 5ghm.a 1.8 1.8 1.7 1.2 1.3 1.6 1.8 1.9 1.9 1.9 1.3 1.7 1.7 1.0 1.1 1.5 1.7 1.6 2.0 3.5 0.9
0
1.2 0.9 0.8 0.9 1.7 0.9 1.1 2.1 1.5 1.8 1.8 1.6 1.2 1.7 1.7 1.8 1.6
[1] 5ghm.b 1.5 1.5 1.4 0.8 1.4 1.4 1.8 1.9 1.8 1.8 1.1 1.4 1.5 0.8 1.0 1.4 1.5 1.4 1.7 3.2 1.2 1.2
0
1.1 1.4 1.4 1.4 1.1 1.5 1.6 1.6 1.5 1.6 1.4 1.6 1.5 1.4 1.6 1.4
[1] 5ghn.a 1.8 1.8 1.8 1.2 1.4 1.7 1.9 1.8 1.8 1.8 1.3 1.7 1.7 1.1 1.3 1.5 1.7 1.6 2.0 3.4 1.0 0.9 1.1
0
1.1 1.2 1.7 0.6 1.4 2.0 1.7 1.8 1.7 1.6 1.2 1.7 1.7 1.8 1.6
[1] 5ghn.b 2.0 2.0 2.0 1.2 1.4 1.8 1.8 1.9 2.1 2.0 1.4 1.8 1.8 1.2 1.4 1.6 1.8 1.7 2.2 3.6 0.7 0.8 1.4 1.1
0
0.6 1.8 1.1 0.6 2.3 1.7 2.1 1.9 1.9 1.0 2.1 2.0 2.1 1.9
[1] 5gho.b 2.0 1.9 1.9 1.1 1.4 1.7 1.7 2.0 2.0 1.9 1.4 1.6 1.7 1.1 1.3 1.6 1.8 1.6 2.2 3.7 0.8 0.9 1.4 1.2 0.6
0
1.8 1.1 0.6 2.3 1.7 2.0 1.8 1.9 1.1 2.1 2.0 2.1 2.0
[1] 5ghp.b 1.0 1.0 0.9 0.8 1.3 1.0 1.3 2.7 1.4 1.2 0.9 0.8 0.8 0.9 0.8 0.9 0.8 0.7 1.1 3.5 1.9 1.7 1.4 1.7 1.8 1.8
0
1.6 2.0 1.1 1.1 1.0 1.0 1.1 2.0 1.2 1.0 1.4 1.2
[1] 5ghq.a 1.7 1.6 1.6 1.1 1.4 1.5 1.8 1.8 1.8 1.8 1.3 1.6 1.6 1.0 1.3 1.5 1.7 1.5 1.8 3.4 1.0 0.9 1.1 0.6 1.1 1.1 1.6
0
1.3 1.8 1.7 1.7 1.6 1.4 1.3 1.6 1.5 1.7 1.5
[1] 5ghq.b 2.2 2.2 2.1 1.2 1.7 1.9 1.9 2.0 2.3 2.1 1.6 1.9 1.9 1.1 1.3 1.8 2.0 1.8 2.4 3.6 0.8 1.1 1.5 1.4 0.6 0.6 2.0 1.3
0
2.5 1.9 2.3 2.0 2.1 1.1 2.3 2.2 2.3 2.1
[1] 5mzf.c 1.0 1.0 0.9 1.2 1.7 1.3 1.7 2.8 1.7 1.3 1.0 0.8 0.8 0.9 0.8 0.9 0.8 0.8 0.9 3.5 2.3 2.1 1.6 2.0 2.3 2.3 1.1 1.8 2.5
0
1.4 0.9 1.3 1.0 2.5 1.0 0.8 1.2 1.0
[1] 5ngr.a 1.0 1.1 1.0 0.9 1.1 1.1 1.1 2.4 1.3 1.0 0.8 1.0 0.9 0.8 0.7 0.7 0.8 0.8 1.4 3.5 1.9 1.5 1.6 1.7 1.7 1.7 1.1 1.7 1.9 1.4
0
1.1 1.2 1.2 1.8 1.2 1.1 1.4 1.2
[1] 5ngs.a 0.7 0.6 0.6 0.9 1.4 1.0 1.3 2.6 1.3 1.1 1.0 0.8 0.8 1.0 0.8 0.8 0.8 0.8 0.9 3.6 2.1 1.8 1.5 1.8 2.1 2.0 1.0 1.7 2.3 0.9 1.1
0
1.1 0.9 2.2 0.8 0.6 1.0 0.9
[1] 5ngt.a 1.2 1.2 1.2 0.9 1.2 0.9 1.3 2.7 1.2 1.1 0.8 0.6 0.7 0.9 0.8 0.8 0.7 0.6 1.3 3.6 2.0 1.8 1.6 1.7 1.9 1.8 1.0 1.6 2.0 1.3 1.2 1.1
0
1.4 2.0 1.4 1.1 1.5 1.4
[1] 5nhy.a 0.8 0.8 0.8 1.1 1.4 1.1 1.5 2.4 1.6 1.4 0.8 1.1 0.9 0.7 0.8 0.8 1.0 0.9 1.1 3.4 1.9 1.6 1.4 1.6 1.9 1.9 1.1 1.4 2.1 1.0 1.2 0.9 1.4
0
2.1 0.5 0.7 0.8 0.7
[1] 5ws7.b 2.2 2.2 2.2 1.4 1.5 2.0 2.0 1.9 2.0 1.9 1.6 1.9 1.9 1.4 1.5 1.8 1.9 1.8 2.3 3.5 1.2 1.2 1.6 1.2 1.0 1.1 2.0 1.3 1.1 2.5 1.8 2.2 2.0 2.1
0
2.2 2.2 2.3 2.1
[1] 6f1x.a 0.7 0.7 0.7 1.1 1.5 1.1 1.5 2.4 1.6 1.2 0.8 1.0 0.8 0.8 0.8 0.8 0.8 0.9 1.1 3.4 2.0 1.7 1.5 1.7 2.1 2.1 1.2 1.6 2.3 1.0 1.2 0.8 1.4 0.5 2.2
0
0.7 0.8 0.8
[1] 6f20.a 0.7 0.6 0.6 0.9 1.4 1.0 1.4 2.5 1.4 1.2 0.8 0.8 0.7 0.8 0.8 0.7 0.8 0.7 1.0 3.5 1.9 1.7 1.4 1.7 2.0 2.0 1.0 1.5 2.2 0.8 1.1 0.6 1.1 0.7 2.2 0.7
0
0.8 0.7
[1] 6f22.a 1.0 1.0 0.9 1.2 1.6 1.3 1.6 2.5 1.8 1.5 1.1 1.2 1.1 1.0 1.0 1.1 1.1 1.1 1.3 3.5 2.1 1.8 1.6 1.8 2.1 2.1 1.4 1.7 2.3 1.2 1.4 1.0 1.5 0.8 2.3 0.8 0.8
0
0.8
[1] 6f23.a 1.0 1.0 0.9 1.1 1.4 1.2 1.5 2.3 1.7 1.4 0.8 1.1 0.9 0.7 0.8 0.8 1.0 1.0 1.1 3.4 1.9 1.6 1.4 1.6 1.9 2.0 1.2 1.5 2.1 1.0 1.2 0.9 1.4 0.7 2.1 0.8 0.7 0.8
0
[Binding site full-atom RMSD matrix]







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