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CD38_HUMAN_44_300

ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 [ADP-ribosyl cyclase family]

Composition of the binding site

Protein chains monomer
A1 (CD38_HUMAN):123:131, 145, 146, 155, 156, 158, 175:177, 181, 182, 185, 186, 189, 190, 193, 196, 208, 212, 217, 219:222, 224:226123:131, 145, 146, 155, 156, 158, 175:177, 181, 182, 185, 186, 189, 190, 193, 196, 208, 212, 217, 219:222, 224:226

Full PDB list

1yh3, 1zvm, 2ef1, 2hct, 2i65, 2i66, 2i67, 2o3q, 2o3r, 2o3s, 2o3t, 2o3u, 2pgj, 2pgl, 3dzf, 3dzg, 3dzh, 3dzi, 3dzj, 3dzk, 3f6y, 3i9m, 3i9n, 3ofs, 3raj, 3rok, 3rom, 3rop, 3roq, 3u4h, 3u4i, 4cmh, 4f45, 4f46, 4ogw, 4tmf, 4xjs, 4xjt, 5f1k, 5f1o, 5f21 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
1
2
4
W
1
2
5
S
1
2
6
R
1
2
7
K
1
2
9
L
1
4
5
E
1
4
6
D
1
5
5
D
1
5
6
D
1
7
5
W
1
7
6
R
1
7
7
V
1
8
5
S
1
8
6
W
1
8
9
K
1
9
0
S
1
9
3
L
2
0
8
R
2
1
2
D
2
1
7
N
2
1
9
S
2
2
0
T
2
2
1
F
2
2
2
S
2
2
4
V
2
2
5
E
2
2
6
[1]2ef1.b none . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2hct.a nmn22 . . . . . . . . . . . . . . . . . . . . D . . . . . G
[1]2i65.b nad44 . . . . . . . . . . . . . . . . . . . . D . . . . . Q
[1]2i66.a g1r.g1r73 . . . . . . . . . . . . . . . . . . . . D . . . . . .
[1]2i66.b g1r,g2r73 . . . . . . . . . . . . . . . . . . . . D . . . . . .
[1]2i67.a apr36 . . . . . . . . . . . . . . . . . . . . D . . . . . .
[1]2i67.b apr,apr72 . . . . . . . . . . . . . . . . . . . . D . . . . . .
[1]2o3q.a cxr35 . . . . . . . . . . . . . . . . . . . . D . . . . . Q
[1]2o3r.a cxr35 . . . . . . . . . . . . . . . . . . . . D . . . . . D
[1]2o3s.a cxr35 . . . . . . . . . . . . . . . . . . . . D . . . . . G
[1]2o3t.a cgr36 . . . . . . . . . . . . . . . . . . . . D . . . . . Q
[1]2o3t.b none . . . . . . . . . . . . . . . . . . . . D . . . . . Q
[1]2o3u.a ngd45 . . . . . . . . . . . . . . . . . . . . D . . . . . Q
[1]2pgj.a n1c35 . . . . . . . . . . . . . . . . . . . . D . . . . . .
[1]2pgl.a n1c35 . . . . . . . . . . . . . . . . . . . . D . . . . . Q
[1]3dzf.d rf513 . . . . . . . . . . . . . . . . . . . . D . . . . . *
[1]3dzg.b nca,rf522 . . . . . . . . . . . . . . . . . . . . D . . . . . *
[1]3dzh.a gtp32 . . . . . . . . . . . . . . . . . . . . D . . . . . .
[1]3dzi.a rgt45 . . . . . . . . . . . . . . . . . . . . D . . . . . .
[1]3dzi.b gtp,n45 . . . . . . . . . . . . . . . . . . . . D . . . . . .
[1]3dzj.a nmn22 . . . . . . . . . . . . . . . . . . . . D . . . . . Q
[1]3dzk.a nmn22 . . . . . . . . . . . . . . . . . . . . D . . . . . .
[1]3i9m.a avu35 . . . . . . . . . . . . . . . . . . . . D . . . . . *
[1]3i9n.a avw35 . . . . . . . . . . . . . . . . . . . . D . . . . . .
[1]3ofs.a avu35 . . . . . . A . . . . . . . . . . . . . D . . . . . *
[1]3rok.a 27c17 . . . . . . . . . . . . . . . . . . . . D . . . . . *
[1]3rom.a 48z13 . . . . . . . . . . . . . . . . . . . . D . . . . . *
[1]3rop.b 50a,nca22 . . . . . . . . . . . . . . . . . . . . D . . . . . *
[1]3roq.a 46z20 . . . . . . . . . . . . . . . . . . . . D . . . . . *
[1]3u4h.a c8r36 . . . . . . . . . . . . . . . . . . . . D . . . . . .
[1]3u4i.a cvr35 . . . . . . . . . . . . . . . . . . . . D . . . . . .
[1]4f45.a dn448 . . . . . . . . . . . . . . . . . . . . D . . . . . Q
[1]4f46.a dvn40 . . . . . . . . . . . . . . . . . . . . D . . . . . .
[1]4f46.b dn426 . . . . . . . . . . . . . . . . . . . . D . . . . . .
[1]4tmf.a js233 . . . . . . . . . . . . . . . . . . . . D . . . . . .
[1]4xjs.a 733,hsx39 . . . . . . . . . . . . . . . . . . . . D . . . . . *
[1]4xjt.a 41z,na763 . . . . . . . . . . . . . . . . . . . . D . . . . . Q
[2]3f6y.a ca1 . . . . . . . . . . . . . . . . . . . . D . . . . . .
[3]3raj.a none . . . . . . . . . . . . . . . . . . . . D . . . . . .

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
L
1
2
3
L
1
2
4
W
1
2
5
S
1
2
6
R
1
2
7
I
1
2
8
K
1
2
9
D
1
3
0
L
1
3
1
L
1
4
5
E
1
4
6
D
1
5
5
D
1
5
6
T
1
5
8
D
1
7
5
W
1
7
6
R
1
7
7
S
1
8
1
N
1
8
2
V
1
8
5
S
1
8
6
W
1
8
9
K
1
9
0
S
1
9
3
F
1
9
6
L
2
0
8
R
2
1
2
D
2
1
7
N
2
1
9
S
2
2
0
T
2
2
1
F
2
2
2
S
2
2
4
V
2
2
5
E
2
2
6
[1]2ef1.b . . . . . . . . . . * . . . . * . . . . . . . . . . . . . * . . . . .
[1]2hct.a . . . . * . . . . . * . . . . . . . . . . . . . . . . . D * . . . . G
[1]2i65.b . . . . * . . . . . * * . . . * . . . . . . . . . . . . D . . . . . Q
[1]2i66.a . . . . * . . . . . * * . . . . . . . . . . . . . . . . D * * . . . .
[1]2i66.b . . . . * . . . . . * * . . . . . . . . . . . . . . . . D * * . . . .
[1]2i67.a . . . . * . . . . . * * . . . . . . . . . . . . . . . . D * . . . . *
[1]2i67.b . . . . . . . . . . * . . . . . . . . . . . . . . . . . D . . . . . .
[1]2o3q.a . . . . * . . . . . * . . . . . . . . . . . . . . . . . D . . . . . Q
[1]2o3r.a . . . . * . . . . . * . . . . . . . . . . . . . . . . . D . . . . . D
[1]2o3s.a . . . . * . . . . . * . . . . . . . . . . . . . . . . . D . . . . . G
[1]2o3t.a . . . . * . . . . . . . . . . . . . . . . . . . . . . . D * . . . . Q
[1]2o3t.b . . . . * . . . . . * . . . . . . . . . . . . . . . . . D * . . . . Q
[1]2o3u.a . . . . * . . . . . * * . . . * . . . . . . . . . . . . D * . . . . Q
[1]2pgj.a . . . . * . . . . . . . . . . . . . . . . . . . . . . . D * . . . . .
[1]2pgl.a . . . . * . . . . . * . . . . . . . . . . . . . . . . . D * . . . . Q
[1]3dzf.d . . . . * . . . . . * * . . . . . . . . . . . . . . . . D . * . . . *
[1]3dzg.b . . . . * . . . . . * * . . . . . . . . . . . . . . . . D * . . . . *
[1]3dzh.a . . . . * . . . . . * * . . . . . . . . . . . . . . . . D * * . . . *
[1]3dzi.a . . . . * . . . . . * . . . . . . . . . . . . . . . . . D * . . . . .
[1]3dzi.b . . . . * . . . . . * . . . . . . . . . . . . . . . . . D * * . . . .
[1]3dzj.a . . . . * . . . . . * * . . . . . . . . . . . . . . . . D * . . . . Q
[1]3dzk.a . . . . * . . . . . * . . . . . . . . . . . . . . . . . D * . . . . .
[1]3i9m.a . . . . * . . . . . * . . . . . . . . . . . . . . . . . D . * . . . *
[1]3i9n.a . . . . * . . . . . * . . . . . . . . . . . . . . . . . D * . . . . *
[1]3ofs.a . . . . * . . . . . A . . . . * . . . . . . . . . . . . D * . . . . *
[1]3rok.a . . . . * . . . . . * . . . . . . . . . . . . . . . . . D * . . . . *
[1]3rom.a . . . . * . . . . . * . . . . . . . . . . . . . . . . . D . * . . . *
[1]3rop.b . . . . * . . . . . * . . . . . . . . . . . . . . . . . D * . . . . *
[1]3roq.a . . . . * . . . . . * . . . . . . . . . . . . . . . . . D * . . . . *
[1]3u4h.a . . . . * . . . . . * . . . . * . . . . . . . . . . . . D * . . . . .
[1]3u4i.a . . . . * . . . . . * . . . . . . . . . . . . . . . . . D * . . . . .
[1]4f45.a . . . . . . . . . . * . . . . * * . . . . . . . . . . . D . . . . . Q
[1]4f46.a . . . . * . . . . . * . . . . * . . . . . . . . . . . . D . . . . . .
[1]4f46.b . . . . * . . . . . * . . . . . . . . . . . . . . . . . D * . . . . .
[1]4tmf.a . . . . * . . . . . * * . . . . . . . . . . . . . . . . D * . . . . .
[1]4xjs.a . . . . * . . . . . * . . . . * . . . . . . . . . . . . D * . . . . *
[1]4xjt.a . . . . . . . . . . * * . . . * . . . . . . . . . . . . D . . . . . Q
[2]3f6y.a . * * * * . * . . . . . . . . * . . . . . . * . . . . . D . * . . . .
[3]3raj.a . * * * * * . * * . * . . . . * * . . . . . * . . . . . D . . . . . .

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
2ef1.b is apo
2hct.a:nmn
2i65.b:nad
2i66.a:g1r.g1r
2i66.b:g1r,g2r
2i67.a:apr
2i67.b:apr
2o3q.a:cxr
2o3r.a:cxr
2o3s.a:cxr
2o3t.a:cgr
2o3t.b is apo
2o3u.a:ngd
2pgj.a:n1c
2pgl.a:n1c
3dzf.d:rf5
3dzg.b:nca,rf5
3dzh.a:gtp
3dzi.a:rgt
3dzi.b:gtp,n
3dzj.a:nmn
3dzk.a:nmn
3i9m.a:avu
3i9n.a:avw
3ofs.a:avu
3rok.a:27c
3rom.a:48z
3rop.b:50a,nca
3roq.a:46z
3u4h.a:c8r
3u4i.a:cvr
4f45.a:dn4
4f46.a:dvn
4f46.b:dn4
4tmf.a:js2
4xjs.a:733,hsx
4xjt.a:41z,na7
3f6y.a:ca
3raj.a is apo
[1] 2ef1.b
-
0.4 0.3 0.2 0.6 0.2 1.6 0.9 0.7 1.0 1.2 - 0.3 0.6 0.7 0.7 1.0 1.6 2.4 0.2 0.4 0.1 0.9 2.7 1.9 0.4 0.7 0.4 0.9 0.8 0.5 0.4 0.2 0 0.3 0.5 1.3 1.1 -
[1] 2hct.a -
0.2
0.5 0.4 2.1 1.0 2.0 0.5 0.5 0.6 1.5 - 0.9 0.7 0.7 0.6 0.2 0 0.1 0.1 0.2 0.2 1.5 0.9 1.5 0.7 0.4 0.4 2.0 0.5 0.2 0.9 0 1.0 1.1 0.3 2.6 1.1 -
[1] 2i65.b - 0.5
0.1
0.4 1.3 1.0 1.3 1.1 1.2 1.2 1.7 - 0.1 0.6 0.6 0.4 0.8 0.9 1.5 0.1 0 0.1 0.9 3.1 2.2 0.6 0.2 0.6 1.1 0.8 0.5 0.6 0.1 0.5 0.4 0.7 3.6 0.9 -
[1] 2i66.a - 0.3 0.2
0.1
1.4 1.0 1.8 0.7 0.7 1.0 1.3 - 0.4 0.4 0.8 1.0 1.0 0 0.1 0 0.1 0.1 1.5 1.1 2.0 0.7 0.8 0.2 1.3 0.7 0.5 1.1 0.1 0.6 0.7 0.7 2.6 1.3 -
[1] 2i66.b - 0.3 0.2 0.2
0.4
0.8 1.2 1.1 1.2 1.2 1.6 - 0.6 0.6 0.6 0.9 0.9 0.2 0.4 0.9 0.4 0.1 1.5 1.1 2.4 0.7 1.0 0.2 0.6 0.8 0.7 0.9 0.2 0.2 0.6 0.8 2.0 1.4 -
[1] 2i67.a - 0.2 0.2 0.2 0.8
0.2
0.8 0.9 1.1 1.2 1.5 - 0.3 0.6 0.7 0.6 1.1 0.1 0.1 0 0.3 0.2 0.7 0.5 2.1 0.4 0.6 0.5 0.9 0.8 0.6 0.5 0.2 0.1 0.5 0.5 1.3 1.2 -
[1] 2i67.b - 0.3 0.3 0.5 0.7 1.3
0.2
0.7 0.8 0.9 1.9 - 0.6 0.9 0.9 0.4 1.1 0.1 0.6 0.2 0.4 0.2 1.2 1.4 2.0 1.1 0.6 0.9 0.6 0.8 0.5 1.3 0 0.9 0.8 0.9 2.6 0.9 -
[1] 2o3q.a - 0.2 1.1 1.0 2.6 1.3 2.1
0
0 0.1 2.0 - 1.2 0.6 0.9 0.5 0.4 0.2 0.6 0.4 0.3 0.3 1.1 1.8 1.9 1.2 0.3 0.4 2.3 1.3 0.5 1.3 0.4 1.9 1.4 0.4 2.7 0.7 -
[1] 2o3r.a - 0.2 1.3 1.0 2.9 1.7 2.5 0
0
0 2.0 - 1.3 1.0 1.1 0.5 0.3 0.1 0.6 0.5 0.3 0.4 1.1 1.9 2.2 1.1 0.7 0.5 2.3 1.2 0.6 1.8 0.3 1.9 1.8 0.5 3.0 0.9 -
[1] 2o3s.a - 0 0.7 0.7 2.1 1.0 2.1 0 0
0
1.6 - 0.8 0.3 0.4 0.4 0.1 0.1 0.1 0.2 0.3 0.3 0.9 1.0 1.7 1.2 0.3 0.4 2.2 0.6 0.3 1.1 0.2 1.2 1.2 0.5 2.6 0.7 -
[1] 2o3t.a - 0.1 0.1 0 1.1 0.6 0.8 0.4 0.4 0.4
0
- 0.3 0 0 0.8 0.5 0 0 0 0 0 0.9 0.5 1.1 0.2 0.4 0.1 0.9 0 0 0.5 0.1 0.1 0.2 0.4 1.1 1.2 -
[1] 2o3t.b - 0.3 0.2 0.2 1.3 0.9 1.6 0.9 0.8 1.0 1.1
-
0.5 0.4 0.4 0.6 0.3 0.1 0.1 0 0.1 0.1 0.9 0.7 1.4 0.6 0.3 0.2 1.8 0.3 0.4 0.9 0 0.4 0.8 0.3 1.4 1.1 -
[1] 2o3u.a - 0.4 0.1 0.2 1.2 0.7 1.0 0.5 0.7 0.5 1.1 -
0
0.4 0.4 0.6 0.3 1.6 1.8 0.1 0 0 0.9 2.5 1.9 0.4 0.2 0.3 1.0 0.5 0.2 0.5 0.1 0.2 0.3 0.6 2.7 1.2 -
[1] 2pgj.a - 0.1 0.1 0 1.4 0.7 1.2 0.4 0.4 0.4 0.9 - 0.3
0.1
0.2 0.6 0.8 0 0 0 0.1 0 0.8 0.9 1.6 0.4 0.4 0.3 1.2 0.3 0 0.5 0 0.6 0.3 0.5 1.9 1.1 -
[1] 2pgl.a - 0.2 0.1 0 1.1 0.8 1.2 0.4 0.5 0.6 0.8 - 0.3 0.1
0.1
0.6 0.4 0 0 0 0 0 0.8 0.6 1.3 0.4 0.3 0.1 1.0 0.1 0.2 0.4 0 0.4 0.3 0.3 1.6 1.0 -
[1] 3dzf.d - 0.3 1.6 2.4 3.3 2.7 3.9 1.6 1.5 1.9 3.3 - 1.9 1.8 1.8
0.5
1.9 0.4 0.8 0.6 0.7 0.8 2.8 3.1 3.8 2.7 1.6 1.6 3.8 2.1 1.9 2.2 0.8 2.3 2.4 2.1 4.4 0.8 -
[1] 3dzg.b - 0.6 0.5 0.5 2.4 1.4 1.9 0.8 1.0 1.2 2.1 - 0.7 0.6 0.6 0.5
0.8
0.1 0.3 0.2 0 0.1 1.7 1.1 2.2 1.1 0.4 0.8 1.9 0.9 0.4 1.4 0.3 1.5 1.4 0.7 2.5 0.9 -
[1] 3dzh.a - 0.3 0.5 0.5 1.7 1.1 1.7 1.3 1.3 1.1 1.4 - 0.9 0.5 0.8 1.0 1.3
0
0.2 0.1 0.5 0.2 1.8 1.0 2.1 0.7 0.9 0.6 1.5 0.9 0.8 1.3 0.3 1.0 0.6 0.8 2.1 1.0 -
[1] 3dzi.a - 0.2 0.2 0.2 2.0 0.7 1.4 0.6 0.6 0.9 1.7 - 0.5 0.4 0.8 0.6 0.9 0
0
0.1 0.1 0 1.3 1.0 1.9 0.4 0.4 0.5 1.3 1.0 0.2 0.9 0.1 0.7 0.5 0.8 2.0 1.1 -
[1] 3dzi.b - 0.2 1.1 0.8 2.2 1.5 2.4 1.2 1.1 1.2 2.0 - 1.1 0.9 1.2 0.8 1.0 0.2 0.2
0
0.2 0.1 2.2 1.3 2.2 1.4 0.8 0.4 2.0 1.3 1.0 1.6 0.2 1.4 1.3 0.6 3.1 1.2 -
[1] 3dzj.a - 0.4 0.9 0.7 2.6 1.9 2.2 0.7 0.6 0.8 2.1 - 1.1 0.9 1.0 0.7 0.8 0 0.1 0.1
0
0.1 1.9 1.4 2.2 1.8 0.8 0.5 2.7 1.1 0.6 1.2 0.1 1.3 1.5 0.8 3.4 1.1 -
[1] 3dzk.a - 0.2 0.1 0.2 1.3 0.6 1.0 0.5 0.5 0.6 1.4 - 0.3 0.4 0.5 0.6 0.8 0 0 0 0.1
0
0.8 0.9 1.6 0.6 0.4 0.5 1.3 0.6 0.1 1.0 0.1 0.4 0.4 0.6 1.9 1.1 -
[1] 3i9m.a - 0.3 0.2 1.0 2.2 1.1 1.6 1.0 1.1 1.2 1.5 - 0.9 0.6 0.9 0.5 1.1 0 0.4 0.3 0.2 0.6
0.8
1.5 2.3 1.1 0.6 1.3 2.3 0.9 0.6 1.3 0.5 1.3 0.7 1.8 2.9 0.9 -
[1] 3i9n.a - 0.2 0 0.1 1.2 0.3 0.7 0.6 0.5 0.7 1.1 - 0.3 0.4 0.3 0.5 0.9 0.1 0 0 0.1 0.1 0.8
0.3
1.5 0.6 0.8 0.4 1.4 0.2 0.4 0.2 0.2 0 0.3 0.4 1.0 1.0 -
[1] 3ofs.a - 0.1 0.4 0.6 2.2 1.2 2.5 0.4 0.4 0.4 0.7 - 0.7 0.2 0.2 0.6 0.9 2.4 3.2 0.1 0.1 0 1.1 3.1
0.5
1.2 0.4 0.7 2.2 0.5 0.2 1.5 0.2 1.3 1.0 1.0 2.4 1.1 -
[1] 3rok.a - 0.2 0.1 0.2 1.1 0.4 1.6 0.7 0.7 0.6 1.5 - 0.5 0.5 0.5 0.7 1.4 0.1 0.1 0.1 0.3 0.2 1.1 0.6 1.9
0.6
0.7 0.6 1.5 0.7 0.8 0.2 0.3 0.2 0.2 0.9 1.3 1.0 -
[1] 3rom.a - 0.2 0.2 0.6 1.4 0.7 1.7 1.0 1.0 1.3 1.2 - 0.7 0.5 0.7 0.5 1.0 0.1 0.2 0 0.2 0.2 0.6 1.1 2.0 1.0
0.7
0.6 1.4 0.6 0.8 1.0 0.5 0.6 0.5 1.2 2.6 0.9 -
[1] 3rop.b - 0.2 0.4 0.4 1.9 0.6 2.4 0.9 0.7 1.1 1.6 - 0.7 0.7 0.8 1.0 1.5 0.2 0.6 0.4 0.5 0.3 1.6 1.5 2.6 1.1 0.9
0.7
2.1 1.1 1.0 1.0 0.4 0.5 0.8 0.9 3.2 1.2 -
[1] 3roq.a - 0.2 0.2 0.3 0.3 0.7 2.0 1.1 0.9 1.1 1.6 - 0.3 0.6 0.7 0.5 1.2 0.4 0.9 0.2 0.2 0.2 0.9 2.3 2.1 0.8 0.6 0.8
0.5
1.1 0.9 0.8 0.5 0.7 0.4 1.1 2.5 1.2 -
[1] 3u4h.a - 0.2 0.1 0.1 0.9 0.7 1.3 0.4 0.4 0.4 0.5 - 0.1 0 0.1 0.6 0.5 2.1 2.7 0.2 0 0 1.0 2.7 1.8 0.3 0.3 0.2 0.9
0.1
0 0.6 0.1 0.1 0.2 0.3 2.0 1.2 -
[1] 3u4i.a - 0.1 0.1 0.1 1.6 0.3 2.1 0.3 0.3 0.4 1.0 - 0.3 0.1 0.3 0.6 0.6 0.1 0.3 0 0 0 0.8 1.0 1.4 0.4 0.3 0.2 1.3 0.3
0.1
0.5 0.1 0.4 0.3 0.5 1.5 0.9 -
[1] 4f45.a - 0.2 0 0.2 0.3 0.6 1.5 0.5 0.7 0.4 1.3 - 0.1 0.4 0.5 0.4 0.7 0.9 1.6 0.1 0.1 0.1 0.8 2.3 1.4 0.4 0.3 0.4 0.1 0.4 0.1
0.1
0.1 0.3 0.2 0.6 2.1 0.9 -
[1] 4f46.a - 0.2 0.9 1.2 2.3 1.6 3.4 0.7 0.9 0.6 2.5 - 1.5 1.2 1.6 0.7 0.9 0.2 0.4 0.1 0.3 0.1 1.7 2.2 2.4 1.4 0.3 0.7 2.0 1.4 0.6 2.0
0
1.6 1.5 0.8 4.6 0.9 -
[1] 4f46.b - 0.2 0 0.2 0.7 0.3 0.4 0.6 0.6 0.6 1.1 - 0.3 0.4 0.5 0.6 0.8 0.1 0.2 0 0.1 0.1 0.9 0.5 1.6 0.4 0.3 0.3 0.7 0.5 0.3 0.3 0
0.1
0.2 0.4 1.8 1.0 -
[1] 4tmf.a - 0.2 0 0.1 0.7 0.4 0.4 0.9 0.8 0.7 1.1 - 0.2 0.6 0.5 0.5 0.7 0.1 0.1 0 0 0 0.6 0.5 1.6 0.2 0.3 0.2 0.7 0.5 0.3 0.7 0.1 0.2
0.2
0.3 1.6 1.0 -
[1] 4xjs.a - 0.3 0.4 0.5 0.8 0.6 0.6 1.3 0.8 1.4 1.7 - 0.4 0.8 0.8 0.7 1.0 0.5 0.9 0 0.2 0.2 1.4 1.8 2.2 0.4 0.8 0.6 0.5 1.2 1.0 0.7 0.2 0.7 0.4
0.9
1.9 0.9 -
[1] 4xjt.a - 0.8 0.5 0.2 0.3 0.6 1.0 1.2 1.1 1.4 1.2 - 0.2 0.8 0.6 0.8 1.4 1.6 2.3 0.2 0.3 0.2 1.7 1.6 2.2 0.7 0.8 0.6 0.6 1.3 0.8 0.6 0.5 0.3 0.5 1.0
0.8
0.7 -
[2] 3f6y.a - 11 15 17 18 10 13 6.2 6.2 6.3 16 - 15 14 16 6.6 13 6.2 14 13 12 12 9.0 13 12 10 8.1 13 10 16 12 13 11 14 14 15 18
0
-
[3] 3raj.a - 11 16 21 21 14 17 11 10 11 17 - 18 17 17 8.6 12 9.8 18 15 13 13 12 14 13 10 9.2 14 9.6 17 16 17 13 16 14 14 20 0.1
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (3 clusters)

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

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

pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
2ef1.b
2hct.a
2i65.b
2i66.a
2i66.b
2i67.a
2i67.b
2o3q.a
2o3r.a
2o3s.a
2o3t.a
2o3t.b
2o3u.a
2pgj.a
2pgl.a
3dzf.d
3dzg.b
3dzh.a
3dzi.a
3dzi.b
3dzj.a
3dzk.a
3i9m.a
3i9n.a
3ofs.a
3rok.a
3rom.a
3rop.b
3roq.a
3u4h.a
3u4i.a
4f45.a
4f46.a
4f46.b
4tmf.a
4xjs.a
4xjt.a
3f6y.a
3raj.a
[1] 2ef1.b
0
.17 .12 .14 .13 .13 .14 .21 .21 .19 .16 .17 .12 .15 .15 .27 .19 .17 .16 .15 .19 .13 .22 .15 .19 .16 .16 .12 .15 .09 .18 .14 .18 .09 .12 .12 .09 .74 .87
[1] 2hct.a .17
0
.15 .10 .12 .13 .11 .07 .05 .04 .09 .06 .12 .06 .08 .18 .08 .13 .04 .07 .07 .05 .13 .08 .17 .09 .10 .09 .11 .11 .09 .15 .11 .09 .08 .10 .18 .73 .80
[1] 2i65.b .12 .15
0
.11 .11 .15 .13 .19 .17 .18 .15 .15 .08 .12 .13 .21 .14 .15 .13 .15 .15 .11 .17 .15 .15 .15 .11 .15 .11 .06 .17 .11 .14 .13 .12 .12 .10 .71 .83
[1] 2i66.a .14 .10 .11
0
.07 .12 .11 .13 .13 .13 .10 .10 .11 .06 .08 .18 .11 .06 .07 .07 .10 .06 .11 .10 .18 .10 .07 .09 .08 .12 .11 .14 .14 .09 .08 .07 .13 .71 .82
[1] 2i66.b .13 .12 .11 .07
0
.09 .09 .17 .16 .17 .13 .12 .11 .11 .11 .19 .12 .09 .09 .09 .13 .09 .14 .11 .21 .11 .08 .10 .08 .11 .15 .14 .15 .08 .07 .07 .12 .75 .83
[1] 2i67.a .13 .13 .15 .12 .09
0
.10 .16 .17 .13 .10 .09 .15 .10 .10 .18 .10 .10 .11 .10 .13 .09 .13 .05 .23 .07 .10 .10 .11 .14 .11 .15 .18 .07 .06 .07 .13 .82 .89
[1] 2i67.b .14 .11 .13 .11 .09 .10
0
.14 .12 .13 .11 .11 .15 .08 .10 .17 .13 .13 .08 .11 .11 .07 .13 .10 .22 .10 .07 .11 .10 .11 .13 .12 .13 .07 .07 .07 .13 .73 .81
[1] 2o3q.a .21 .07 .19 .13 .17 .16 .14
0
.04 .05 .10 .08 .15 .09 .09 .17 .09 .14 .09 .10 .08 .09 .13 .12 .18 .11 .13 .14 .15 .16 .12 .19 .14 .14 .13 .15 .19 .72 .78
[1] 2o3r.a .21 .05 .17 .13 .16 .17 .12 .04
0
.05 .12 .09 .14 .09 .10 .18 .10 .14 .07 .10 .08 .08 .13 .13 .18 .12 .12 .14 .14 .15 .13 .17 .13 .14 .12 .14 .19 .71 .77
[1] 2o3s.a .19 .04 .18 .13 .17 .13 .13 .05 .05
0
.09 .06 .15 .08 .08 .19 .09 .12 .08 .10 .09 .08 .12 .08 .18 .09 .12 .12 .15 .16 .09 .17 .14 .12 .11 .13 .18 .75 .81
[1] 2o3t.a .16 .09 .15 .10 .13 .10 .11 .10 .12 .09
0
.07 .11 .05 .04 .21 .11 .11 .09 .11 .09 .05 .12 .06 .18 .06 .09 .12 .11 .11 .08 .15 .17 .09 .07 .11 .17 .76 .85
[1] 2o3t.b .17 .06 .15 .10 .12 .09 .11 .08 .09 .06 .07
0
.12 .06 .04 .17 .07 .09 .06 .08 .07 .06 .09 .05 .19 .05 .09 .09 .10 .11 .07 .15 .14 .08 .07 .09 .17 .75 .81
[1] 2o3u.a .12 .12 .08 .11 .11 .15 .15 .15 .14 .15 .11 .12
0
.10 .10 .23 .15 .15 .13 .15 .13 .09 .18 .13 .15 .14 .13 .14 .12 .07 .14 .13 .14 .12 .11 .13 .11 .71 .81
[1] 2pgj.a .15 .06 .12 .06 .11 .10 .08 .09 .09 .08 .05 .06 .10
0
.05 .18 .09 .09 .05 .08 .07 .02 .10 .06 .16 .07 .07 .09 .09 .10 .06 .11 .12 .07 .06 .08 .14 .73 .83
[1] 2pgl.a .15 .08 .13 .08 .11 .10 .10 .09 .10 .08 .04 .04 .10 .05
0
.21 .09 .09 .08 .09 .09 .04 .11 .06 .18 .06 .08 .11 .09 .10 .07 .14 .16 .07 .06 .08 .14 .75 .83
[1] 3dzf.d .27 .18 .21 .18 .19 .18 .17 .17 .18 .19 .21 .17 .23 .18 .21
0
.13 .15 .15 .16 .14 .19 .15 .19 .25 .17 .15 .18 .18 .25 .19 .23 .15 .22 .20 .19 .22 .71 .79
[1] 3dzg.b .19 .08 .14 .11 .12 .10 .13 .09 .10 .09 .11 .07 .15 .09 .09 .13
0
.10 .07 .06 .06 .09 .11 .08 .18 .08 .11 .11 .13 .15 .11 .18 .13 .11 .08 .09 .15 .73 .81
[1] 3dzh.a .17 .13 .15 .06 .09 .10 .13 .14 .14 .12 .11 .09 .15 .09 .09 .15 .10
0
.09 .08 .13 .09 .09 .09 .21 .08 .10 .09 .11 .17 .10 .18 .17 .12 .10 .09 .14 .74 .85
[1] 3dzi.a .16 .04 .13 .07 .09 .11 .08 .09 .07 .08 .09 .06 .13 .05 .08 .15 .07 .09
0
.04 .05 .04 .09 .08 .15 .07 .07 .07 .09 .11 .09 .13 .09 .08 .07 .08 .15 .71 .79
[1] 3dzi.b .15 .07 .15 .07 .09 .10 .11 .10 .10 .10 .11 .08 .15 .08 .09 .16 .06 .08 .04
0
.06 .07 .12 .09 .18 .09 .09 .07 .12 .14 .12 .17 .12 .09 .07 .08 .15 .73 .81
[1] 3dzj.a .19 .07 .15 .10 .13 .13 .11 .08 .08 .09 .09 .07 .13 .07 .09 .14 .06 .13 .05 .06
0
.07 .13 .10 .17 .10 .10 .12 .12 .14 .11 .15 .09 .11 .08 .10 .18 .71 .79
[1] 3dzk.a .13 .05 .11 .06 .09 .09 .07 .09 .08 .08 .05 .06 .09 .02 .04 .19 .09 .09 .04 .07 .07
0
.10 .05 .17 .05 .07 .08 .08 .09 .07 .12 .12 .07 .05 .07 .13 .73 .82
[1] 3i9m.a .22 .13 .17 .11 .14 .13 .13 .13 .13 .12 .12 .09 .18 .10 .11 .15 .11 .09 .09 .12 .13 .10
0
.10 .20 .10 .09 .13 .14 .18 .11 .18 .16 .14 .13 .13 .17 .73 .81
[1] 3i9n.a .15 .08 .15 .10 .11 .05 .10 .12 .13 .08 .06 .05 .13 .06 .06 .19 .08 .09 .08 .09 .10 .05 .10
0
.19 .03 .07 .08 .09 .11 .07 .14 .15 .06 .05 .06 .14 .78 .85
[1] 3ofs.a .19 .17 .15 .18 .21 .23 .22 .18 .18 .18 .18 .19 .15 .16 .18 .25 .18 .21 .15 .18 .17 .17 .20 .19
0
.19 .17 .18 .16 .12 .17 .19 .15 .19 .19 .19 .19 .69 .82
[1] 3rok.a .16 .09 .15 .10 .11 .07 .10 .11 .12 .09 .06 .05 .14 .07 .06 .17 .08 .08 .07 .09 .10 .05 .10 .03 .19
0
.08 .06 .07 .12 .08 .15 .15 .07 .06 .08 .13 .79 .85
[1] 3rom.a .16 .10 .11 .07 .08 .10 .07 .13 .12 .12 .09 .09 .13 .07 .08 .15 .11 .10 .07 .09 .10 .07 .09 .07 .17 .08
0
.09 .06 .11 .10 .10 .11 .07 .08 .06 .11 .73 .80
[1] 3rop.b .12 .09 .15 .09 .10 .10 .11 .14 .14 .12 .12 .09 .14 .09 .11 .18 .11 .09 .07 .07 .12 .08 .13 .08 .18 .06 .09
0
.08 .12 .12 .15 .12 .07 .09 .08 .11 .75 .82
[1] 3roq.a .15 .11 .11 .08 .08 .11 .10 .15 .14 .15 .11 .10 .12 .09 .09 .18 .13 .11 .09 .12 .12 .08 .14 .09 .16 .07 .06 .08
0
.10 .12 .09 .13 .07 .07 .07 .11 .74 .82
[1] 3u4h.a .09 .11 .06 .12 .11 .14 .11 .16 .15 .16 .11 .11 .07 .10 .10 .25 .15 .17 .11 .14 .14 .09 .18 .11 .12 .12 .11 .12 .10
0
.14 .11 .13 .09 .09 .10 .11 .71 .83
[1] 3u4i.a .18 .09 .17 .11 .15 .11 .13 .12 .13 .09 .08 .07 .14 .06 .07 .19 .11 .10 .09 .12 .11 .07 .11 .07 .17 .08 .10 .12 .12 .14
0
.11 .12 .11 .09 .12 .18 .75 .80
[1] 4f45.a .14 .15 .11 .14 .14 .15 .12 .19 .17 .17 .15 .15 .13 .11 .14 .23 .18 .18 .13 .17 .15 .12 .18 .14 .19 .15 .10 .15 .09 .11 .11
0
.10 .09 .11 .12 .11 .74 .79
[1] 4f46.a .18 .11 .14 .14 .15 .18 .13 .14 .13 .14 .17 .14 .14 .12 .16 .15 .13 .17 .09 .12 .09 .12 .16 .15 .15 .15 .11 .12 .13 .13 .12 .10
0
.13 .15 .15 .16 .67 .73
[1] 4f46.b .09 .09 .13 .09 .08 .07 .07 .14 .14 .12 .09 .08 .12 .07 .07 .22 .11 .12 .08 .09 .11 .07 .14 .06 .19 .07 .07 .07 .07 .09 .11 .09 .13
0
.04 .04 .11 .76 .84
[1] 4tmf.a .12 .08 .12 .08 .07 .06 .07 .13 .12 .11 .07 .07 .11 .06 .06 .20 .08 .10 .07 .07 .08 .05 .13 .05 .19 .06 .08 .09 .07 .09 .09 .11 .15 .04
0
.04 .12 .77 .85
[1] 4xjs.a .12 .10 .12 .07 .07 .07 .07 .15 .14 .13 .11 .09 .13 .08 .08 .19 .09 .09 .08 .08 .10 .07 .13 .06 .19 .08 .06 .08 .07 .10 .12 .12 .15 .04 .04
0
.09 .75 .84
[1] 4xjt.a .09 .18 .10 .13 .12 .13 .13 .19 .19 .18 .17 .17 .11 .14 .14 .22 .15 .14 .15 .15 .18 .13 .17 .14 .19 .13 .11 .11 .11 .11 .18 .11 .16 .11 .12 .09
0
.74 .84
[2] 3f6y.a .74 .73 .71 .71 .75 .82 .73 .72 .71 .75 .76 .75 .71 .73 .75 .71 .73 .74 .71 .73 .71 .73 .73 .78 .69 .79 .73 .75 .74 .71 .75 .74 .67 .76 .77 .75 .74
0
.41
[3] 3raj.a .87 .80 .83 .82 .83 .89 .81 .78 .77 .81 .85 .81 .81 .83 .83 .79 .81 .85 .79 .81 .79 .82 .81 .85 .82 .85 .80 .82 .82 .83 .80 .79 .73 .84 .85 .84 .84 .41
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.9 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
2ef1.b
2hct.a
2i65.b
2i66.a
2i66.b
2i67.a
2i67.b
2o3q.a
2o3r.a
2o3s.a
2o3t.a
2o3t.b
2o3u.a
2pgj.a
2pgl.a
3dzf.d
3dzg.b
3dzh.a
3dzi.a
3dzi.b
3dzj.a
3dzk.a
3i9m.a
3i9n.a
3ofs.a
3rok.a
3rom.a
3rop.b
3roq.a
3u4h.a
3u4i.a
4f45.a
4f46.a
4f46.b
4tmf.a
4xjs.a
4xjt.a
3f6y.a
3raj.a
[1] 2ef1.b
0
0.8 0.9 0.8 0.8 0.7 1.2 1.0 0.9 0.8 0.7 0.7 0.7 0.7 0.7 1.1 0.8 0.9 0.8 0.7 1.0 0.7 0.9 0.6 1.1 0.6 0.8 0.7 0.7 0.7 0.7 0.8 0.9 0.6 0.6 0.8 0.6 2.9 3.1
[1] 2hct.a 0.8
0
0.4 0.3 0.4 0.5 0.6 0.6 0.4 0.4 0.5 0.4 0.3 0.3 0.4 0.6 0.5 0.3 0.2 0.3 0.4 0.2 0.5 0.5 0.6 0.5 0.5 0.4 0.3 0.4 0.3 0.4 0.4 0.5 0.5 0.3 0.6 2.3 2.4
[1] 2i65.b 0.9 0.4
0
0.4 0.4 0.6 0.5 0.6 0.5 0.5 0.5 0.4 0.3 0.3 0.4 0.5 0.4 0.4 0.4 0.3 0.5 0.3 0.5 0.5 0.6 0.5 0.4 0.4 0.3 0.4 0.4 0.3 0.3 0.5 0.5 0.4 0.6 2.3 2.4
[1] 2i66.a 0.8 0.3 0.4
0
0.3 0.5 0.5 0.7 0.5 0.5 0.5 0.4 0.4 0.2 0.3 0.5 0.5 0.1 0.3 0.3 0.5 0.2 0.6 0.5 0.7 0.5 0.5 0.4 0.4 0.4 0.3 0.4 0.3 0.5 0.5 0.4 0.6 2.4 2.5
[1] 2i66.b 0.8 0.4 0.4 0.3
0
0.4 0.5 0.7 0.6 0.6 0.6 0.4 0.4 0.3 0.4 0.6 0.5 0.3 0.4 0.3 0.5 0.3 0.6 0.5 0.7 0.5 0.6 0.4 0.4 0.4 0.4 0.4 0.4 0.5 0.6 0.4 0.6 2.4 2.5
[1] 2i67.a 0.7 0.5 0.6 0.5 0.4
0
0.8 0.6 0.6 0.5 0.6 0.5 0.4 0.4 0.5 0.8 0.5 0.6 0.5 0.5 0.6 0.4 0.6 0.4 0.8 0.5 0.5 0.4 0.4 0.5 0.4 0.5 0.6 0.5 0.5 0.5 0.5 2.5 2.7
[1] 2i67.b 1.2 0.6 0.5 0.5 0.5 0.8
0
0.8 0.6 0.8 0.8 0.8 0.7 0.6 0.7 0.6 0.8 0.5 0.6 0.6 0.7 0.6 0.7 0.8 0.7 0.8 0.7 0.7 0.7 0.7 0.7 0.6 0.4 0.9 0.9 0.6 0.9 2.1 2.3
[1] 2o3q.a 1.0 0.6 0.6 0.7 0.7 0.6 0.8
0
0.4 0.5 0.6 0.6 0.5 0.6 0.5 0.8 0.5 0.7 0.6 0.7 0.6 0.6 0.7 0.7 0.8 0.7 0.7 0.7 0.6 0.6 0.5 0.6 0.7 0.7 0.6 0.7 0.8 2.2 2.4
[1] 2o3r.a 0.9 0.4 0.5 0.5 0.6 0.6 0.6 0.4
0
0.3 0.5 0.5 0.4 0.4 0.4 0.6 0.5 0.5 0.4 0.5 0.5 0.4 0.5 0.6 0.7 0.6 0.5 0.6 0.5 0.5 0.4 0.4 0.5 0.6 0.6 0.5 0.7 2.1 2.3
[1] 2o3s.a 0.8 0.4 0.5 0.5 0.6 0.5 0.8 0.5 0.3
0
0.4 0.4 0.4 0.3 0.3 0.7 0.4 0.5 0.5 0.5 0.5 0.3 0.6 0.5 0.7 0.5 0.5 0.5 0.4 0.4 0.2 0.5 0.6 0.5 0.5 0.5 0.6 2.4 2.5
[1] 2o3t.a 0.7 0.5 0.5 0.5 0.6 0.6 0.8 0.6 0.5 0.4
0
0.4 0.3 0.3 0.3 0.8 0.5 0.5 0.5 0.5 0.6 0.4 0.6 0.5 0.6 0.4 0.6 0.5 0.5 0.2 0.4 0.5 0.6 0.5 0.4 0.6 0.6 2.5 2.6
[1] 2o3t.b 0.7 0.4 0.4 0.4 0.4 0.5 0.8 0.6 0.5 0.4 0.4
0
0.3 0.3 0.2 0.7 0.2 0.5 0.4 0.3 0.5 0.3 0.6 0.3 0.7 0.3 0.4 0.4 0.3 0.3 0.3 0.3 0.5 0.3 0.3 0.4 0.5 2.5 2.6
[1] 2o3u.a 0.7 0.3 0.3 0.4 0.4 0.4 0.7 0.5 0.4 0.4 0.3 0.3
0
0.2 0.2 0.6 0.3 0.5 0.4 0.3 0.5 0.2 0.5 0.4 0.6 0.3 0.3 0.4 0.3 0.2 0.3 0.3 0.5 0.4 0.3 0.4 0.5 2.4 2.5
[1] 2pgj.a 0.7 0.3 0.3 0.2 0.3 0.4 0.6 0.6 0.4 0.3 0.3 0.3 0.2
0
0.2 0.6 0.4 0.3 0.3 0.2 0.5 0.1 0.5 0.4 0.6 0.4 0.4 0.3 0.3 0.2 0.2 0.3 0.4 0.4 0.4 0.3 0.5 2.4 2.5
[1] 2pgl.a 0.7 0.4 0.4 0.3 0.4 0.5 0.7 0.5 0.4 0.3 0.3 0.2 0.2 0.2
0
0.7 0.3 0.5 0.4 0.3 0.5 0.2 0.5 0.4 0.6 0.3 0.4 0.4 0.3 0.2 0.2 0.4 0.5 0.3 0.3 0.4 0.5 2.4 2.6
[1] 3dzf.d 1.1 0.6 0.5 0.5 0.6 0.8 0.6 0.8 0.6 0.7 0.8 0.7 0.6 0.6 0.7
0
0.7 0.6 0.6 0.6 0.6 0.6 0.4 0.8 0.8 0.8 0.6 0.7 0.6 0.7 0.6 0.6 0.5 0.8 0.8 0.5 0.8 2.1 2.3
[1] 3dzg.b 0.8 0.5 0.4 0.5 0.5 0.5 0.8 0.5 0.5 0.4 0.5 0.2 0.3 0.4 0.3 0.7
0
0.6 0.5 0.4 0.5 0.3 0.5 0.4 0.6 0.3 0.4 0.5 0.3 0.3 0.4 0.4 0.5 0.4 0.3 0.5 0.5 2.4 2.5
[1] 3dzh.a 0.9 0.3 0.4 0.1 0.3 0.6 0.5 0.7 0.5 0.5 0.5 0.5 0.5 0.3 0.5 0.6 0.6
0
0.3 0.3 0.6 0.3 0.6 0.6 0.7 0.6 0.6 0.4 0.5 0.5 0.4 0.5 0.4 0.6 0.6 0.4 0.7 2.3 2.5
[1] 3dzi.a 0.8 0.2 0.4 0.3 0.4 0.5 0.6 0.6 0.4 0.5 0.5 0.4 0.4 0.3 0.4 0.6 0.5 0.3
0
0.3 0.4 0.3 0.6 0.5 0.7 0.5 0.5 0.4 0.4 0.4 0.3 0.4 0.4 0.5 0.5 0.3 0.6 2.3 2.5
[1] 3dzi.b 0.7 0.3 0.3 0.3 0.3 0.5 0.6 0.7 0.5 0.5 0.5 0.3 0.3 0.2 0.3 0.6 0.4 0.3 0.3
0
0.5 0.2 0.5 0.4 0.7 0.4 0.4 0.3 0.3 0.3 0.4 0.3 0.3 0.4 0.4 0.3 0.5 2.4 2.5
[1] 3dzj.a 1.0 0.4 0.5 0.5 0.5 0.6 0.7 0.6 0.5 0.5 0.6 0.5 0.5 0.5 0.5 0.6 0.5 0.6 0.4 0.5
0
0.5 0.6 0.6 0.7 0.6 0.6 0.6 0.5 0.5 0.5 0.5 0.6 0.7 0.6 0.5 0.7 2.3 2.4
[1] 3dzk.a 0.7 0.2 0.3 0.2 0.3 0.4 0.6 0.6 0.4 0.3 0.4 0.3 0.2 0.1 0.2 0.6 0.3 0.3 0.3 0.2 0.5
0
0.5 0.4 0.6 0.3 0.4 0.3 0.3 0.3 0.2 0.3 0.4 0.4 0.4 0.3 0.5 2.4 2.5
[1] 3i9m.a 0.9 0.5 0.5 0.6 0.6 0.6 0.7 0.7 0.5 0.6 0.6 0.6 0.5 0.5 0.5 0.4 0.5 0.6 0.6 0.5 0.6 0.5
0
0.6 0.7 0.6 0.3 0.6 0.5 0.5 0.5 0.5 0.5 0.7 0.6 0.5 0.6 2.3 2.4
[1] 3i9n.a 0.6 0.5 0.5 0.5 0.5 0.4 0.8 0.7 0.6 0.5 0.5 0.3 0.4 0.4 0.4 0.8 0.4 0.6 0.5 0.4 0.6 0.4 0.6
0
0.7 0.3 0.5 0.4 0.3 0.4 0.4 0.4 0.6 0.2 0.2 0.5 0.4 2.5 2.6
[1] 3ofs.a 1.1 0.6 0.6 0.7 0.7 0.8 0.7 0.8 0.7 0.7 0.6 0.7 0.6 0.6 0.6 0.8 0.6 0.7 0.7 0.7 0.7 0.6 0.7 0.7
0
0.7 0.6 0.7 0.6 0.6 0.6 0.6 0.6 0.7 0.7 0.6 0.8 2.3 2.4
[1] 3rok.a 0.6 0.5 0.5 0.5 0.5 0.5 0.8 0.7 0.6 0.5 0.4 0.3 0.3 0.4 0.3 0.8 0.3 0.6 0.5 0.4 0.6 0.3 0.6 0.3 0.7
0
0.4 0.3 0.3 0.3 0.4 0.4 0.6 0.2 0.2 0.5 0.4 2.5 2.7
[1] 3rom.a 0.8 0.5 0.4 0.5 0.6 0.5 0.7 0.7 0.5 0.5 0.6 0.4 0.3 0.4 0.4 0.6 0.4 0.6 0.5 0.4 0.6 0.4 0.3 0.5 0.6 0.4
0
0.5 0.3 0.4 0.4 0.4 0.5 0.5 0.4 0.5 0.5 2.4 2.5
[1] 3rop.b 0.7 0.4 0.4 0.4 0.4 0.4 0.7 0.7 0.6 0.5 0.5 0.4 0.4 0.3 0.4 0.7 0.5 0.4 0.4 0.3 0.6 0.3 0.6 0.4 0.7 0.3 0.5
0
0.3 0.4 0.4 0.4 0.4 0.3 0.4 0.4 0.5 2.5 2.6
[1] 3roq.a 0.7 0.3 0.3 0.4 0.4 0.4 0.7 0.6 0.5 0.4 0.5 0.3 0.3 0.3 0.3 0.6 0.3 0.5 0.4 0.3 0.5 0.3 0.5 0.3 0.6 0.3 0.3 0.3
0
0.3 0.3 0.3 0.4 0.4 0.3 0.3 0.5 2.4 2.5
[1] 3u4h.a 0.7 0.4 0.4 0.4 0.4 0.5 0.7 0.6 0.5 0.4 0.2 0.3 0.2 0.2 0.2 0.7 0.3 0.5 0.4 0.3 0.5 0.3 0.5 0.4 0.6 0.3 0.4 0.4 0.3
0
0.3 0.4 0.5 0.4 0.3 0.4 0.5 2.5 2.6
[1] 3u4i.a 0.7 0.3 0.4 0.3 0.4 0.4 0.7 0.5 0.4 0.2 0.4 0.3 0.3 0.2 0.2 0.6 0.4 0.4 0.3 0.4 0.5 0.2 0.5 0.4 0.6 0.4 0.4 0.4 0.3 0.3
0
0.3 0.5 0.4 0.4 0.4 0.5 2.4 2.5
[1] 4f45.a 0.8 0.4 0.3 0.4 0.4 0.5 0.6 0.6 0.4 0.5 0.5 0.3 0.3 0.3 0.4 0.6 0.4 0.5 0.4 0.3 0.5 0.3 0.5 0.4 0.6 0.4 0.4 0.4 0.3 0.4 0.3
0
0.3 0.4 0.4 0.4 0.6 2.4 2.5
[1] 4f46.a 0.9 0.4 0.3 0.3 0.4 0.6 0.4 0.7 0.5 0.6 0.6 0.5 0.5 0.4 0.5 0.5 0.5 0.4 0.4 0.3 0.6 0.4 0.5 0.6 0.6 0.6 0.5 0.4 0.4 0.5 0.5 0.3
0
0.6 0.6 0.4 0.7 2.2 2.4
[1] 4f46.b 0.6 0.5 0.5 0.5 0.5 0.5 0.9 0.7 0.6 0.5 0.5 0.3 0.4 0.4 0.3 0.8 0.4 0.6 0.5 0.4 0.7 0.4 0.7 0.2 0.7 0.2 0.5 0.3 0.4 0.4 0.4 0.4 0.6
0
0.2 0.5 0.4 2.6 2.7
[1] 4tmf.a 0.6 0.5 0.5 0.5 0.6 0.5 0.9 0.6 0.6 0.5 0.4 0.3 0.3 0.4 0.3 0.8 0.3 0.6 0.5 0.4 0.6 0.4 0.6 0.2 0.7 0.2 0.4 0.4 0.3 0.3 0.4 0.4 0.6 0.2
0
0.5 0.4 2.5 2.6
[1] 4xjs.a 0.8 0.3 0.4 0.4 0.4 0.5 0.6 0.7 0.5 0.5 0.6 0.4 0.4 0.3 0.4 0.5 0.5 0.4 0.3 0.3 0.5 0.3 0.5 0.5 0.6 0.5 0.5 0.4 0.3 0.4 0.4 0.4 0.4 0.5 0.5
0
0.5 2.4 2.5
[1] 4xjt.a 0.6 0.6 0.6 0.6 0.6 0.5 0.9 0.8 0.7 0.6 0.6 0.5 0.5 0.5 0.5 0.8 0.5 0.7 0.6 0.5 0.7 0.5 0.6 0.4 0.8 0.4 0.5 0.5 0.5 0.5 0.5 0.6 0.7 0.4 0.4 0.5
0
2.6 2.7
[2] 3f6y.a 2.9 2.3 2.3 2.4 2.4 2.5 2.1 2.2 2.1 2.4 2.5 2.5 2.4 2.4 2.4 2.1 2.4 2.3 2.3 2.4 2.3 2.4 2.3 2.5 2.3 2.5 2.4 2.5 2.4 2.5 2.4 2.4 2.2 2.6 2.5 2.4 2.6
0
1.3
[3] 3raj.a 3.1 2.4 2.4 2.5 2.5 2.7 2.3 2.4 2.3 2.5 2.6 2.6 2.5 2.5 2.6 2.3 2.5 2.5 2.5 2.5 2.4 2.5 2.4 2.6 2.4 2.7 2.5 2.6 2.5 2.6 2.5 2.5 2.4 2.7 2.6 2.5 2.7 1.3
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.5 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
2ef1.b
2hct.a
2i65.b
2i66.a
2i66.b
2i67.a
2i67.b
2o3q.a
2o3r.a
2o3s.a
2o3t.a
2o3t.b
2o3u.a
2pgj.a
2pgl.a
3dzf.d
3dzg.b
3dzh.a
3dzi.a
3dzi.b
3dzj.a
3dzk.a
3i9m.a
3i9n.a
3ofs.a
3rok.a
3rom.a
3rop.b
3roq.a
3u4h.a
3u4i.a
4f45.a
4f46.a
4f46.b
4tmf.a
4xjs.a
4xjt.a
3f6y.a
3raj.a
[1] 2ef1.b
0
1.3 1.4 1.3 1.3 1.3 1.6 1.4 1.3 1.2 1.3 1.2 1.2 1.2 1.2 1.5 1.3 1.3 1.3 1.3 1.4 1.2 1.5 1.2 1.5 1.2 1.4 1.1 1.4 1.1 1.2 1.3 1.5 1.1 1.1 1.2 1.0 3.2 3.6
[1] 2hct.a 1.3
0
0.9 0.5 0.9 1.0 1.1 0.9 0.7 0.7 0.8 0.8 0.8 0.5 0.5 0.8 0.8 0.6 0.6 0.8 0.6 0.6 0.8 0.7 1.2 0.8 0.9 0.7 1.0 0.8 0.7 1.0 0.9 0.8 0.8 0.9 1.0 2.6 2.8
[1] 2i65.b 1.4 0.9
0
0.8 1.0 1.0 1.0 1.0 0.9 1.0 1.0 1.0 0.6 0.8 0.8 1.0 1.0 0.9 0.8 0.9 0.9 0.8 0.9 0.9 1.0 1.0 1.0 0.9 1.1 0.9 1.0 1.1 1.1 1.0 1.0 0.9 0.9 2.6 2.8
[1] 2i66.a 1.3 0.5 0.8
0
0.8 0.9 0.9 0.9 0.6 0.7 0.6 0.7 0.7 0.3 0.4 0.7 0.8 0.4 0.4 0.7 0.6 0.4 0.7 0.7 1.1 0.7 0.9 0.6 1.0 0.7 0.7 0.9 0.8 0.8 0.8 0.9 1.0 2.6 2.9
[1] 2i66.b 1.3 0.9 1.0 0.8
0
1.0 0.9 1.1 0.9 1.0 0.9 0.8 0.9 0.8 0.9 0.9 0.8 0.8 0.8 0.6 0.9 0.8 1.0 0.9 1.2 0.8 0.9 0.8 0.8 0.9 0.9 0.9 0.8 0.9 0.9 1.0 1.0 2.9 3.0
[1] 2i67.a 1.3 1.0 1.0 0.9 1.0
0
1.0 0.8 0.9 0.9 0.9 0.8 0.9 0.8 0.8 1.1 0.9 1.0 0.9 0.9 0.9 0.8 1.0 0.8 1.3 0.8 1.0 0.9 1.2 1.0 0.9 1.1 1.1 0.9 0.8 0.9 1.0 3.0 3.2
[1] 2i67.b 1.6 1.1 1.0 0.9 0.9 1.0
0
1.0 1.0 1.1 1.1 1.1 1.0 0.9 1.0 1.0 1.1 0.9 1.0 0.9 1.1 0.9 1.1 1.1 1.2 1.1 1.1 1.0 1.1 1.1 1.0 1.1 1.0 1.1 1.1 1.0 1.2 2.6 2.9
[1] 2o3q.a 1.4 0.9 1.0 0.9 1.1 0.8 1.0
0
0.6 0.7 0.8 0.9 0.8 0.8 0.8 1.1 0.9 1.0 0.9 1.0 0.8 0.8 1.0 0.9 1.2 0.9 1.0 1.0 1.2 1.0 0.9 1.2 1.1 1.0 0.9 1.0 1.2 2.7 2.9
[1] 2o3r.a 1.3 0.7 0.9 0.6 0.9 0.9 1.0 0.6
0
0.5 0.6 0.7 0.8 0.5 0.6 0.8 0.7 0.7 0.6 0.7 0.6 0.5 0.7 0.7 1.1 0.7 0.8 0.7 1.0 0.8 0.7 1.0 0.9 0.9 0.7 1.0 1.1 2.6 2.8
[1] 2o3s.a 1.2 0.7 1.0 0.7 1.0 0.9 1.1 0.7 0.5
0
0.6 0.7 0.8 0.6 0.6 0.9 0.8 0.7 0.7 0.8 0.7 0.6 0.8 0.7 1.1 0.7 0.8 0.7 1.0 0.8 0.7 1.1 0.9 0.8 0.7 0.9 1.0 2.8 3.0
[1] 2o3t.a 1.3 0.8 1.0 0.6 0.9 0.9 1.1 0.8 0.6 0.6
0
0.7 0.8 0.5 0.5 0.9 0.7 0.7 0.7 0.8 0.7 0.5 0.8 0.6 1.1 0.6 0.8 0.7 1.1 0.7 0.7 1.0 1.0 0.8 0.7 1.0 1.1 2.8 3.0
[1] 2o3t.b 1.2 0.8 1.0 0.7 0.8 0.8 1.1 0.9 0.7 0.7 0.7
0
0.8 0.7 0.6 0.9 0.4 0.8 0.8 0.5 0.7 0.7 0.9 0.7 1.2 0.6 0.7 0.8 0.8 0.9 0.6 0.9 0.8 0.8 0.7 0.9 0.9 2.9 3.0
[1] 2o3u.a 1.2 0.8 0.6 0.7 0.9 0.9 1.0 0.8 0.8 0.8 0.8 0.8
0
0.7 0.7 0.9 0.8 0.8 0.8 0.8 0.8 0.7 0.9 0.8 0.9 0.8 0.9 0.8 1.0 0.7 0.8 0.9 1.0 0.8 0.8 0.9 0.8 2.7 2.9
[1] 2pgj.a 1.2 0.5 0.8 0.3 0.8 0.8 0.9 0.8 0.5 0.6 0.5 0.7 0.7
0
0.2 0.7 0.7 0.5 0.4 0.7 0.5 0.3 0.6 0.6 1.1 0.6 0.8 0.6 1.0 0.7 0.6 1.0 0.9 0.7 0.7 0.9 1.0 2.7 2.9
[1] 2pgl.a 1.2 0.5 0.8 0.4 0.9 0.8 1.0 0.8 0.6 0.6 0.5 0.6 0.7 0.2
0
0.8 0.7 0.6 0.5 0.7 0.5 0.3 0.6 0.5 1.1 0.6 0.8 0.6 1.0 0.7 0.6 1.0 0.9 0.7 0.6 0.9 0.9 2.7 3.0
[1] 3dzf.d 1.5 0.8 1.0 0.7 0.9 1.1 1.0 1.1 0.8 0.9 0.9 0.9 0.9 0.7 0.8
0
0.9 0.8 0.8 0.8 0.7 0.8 0.7 1.0 1.1 0.9 0.8 0.9 1.0 1.0 0.8 1.1 0.8 1.1 1.0 1.0 1.1 2.6 2.7
[1] 3dzg.b 1.3 0.8 1.0 0.8 0.8 0.9 1.1 0.9 0.7 0.8 0.7 0.4 0.8 0.7 0.7 0.9
0
0.9 0.8 0.4 0.7 0.7 0.8 0.7 1.1 0.6 0.6 0.8 0.8 0.9 0.6 0.9 0.8 0.8 0.7 0.9 1.0 2.8 2.9
[1] 3dzh.a 1.3 0.6 0.9 0.4 0.8 1.0 0.9 1.0 0.7 0.7 0.7 0.8 0.8 0.5 0.6 0.8 0.9
0
0.4 0.7 0.7 0.5 0.8 0.8 1.1 0.8 0.9 0.7 1.0 0.8 0.7 1.0 0.8 0.8 0.8 0.9 1.0 2.6 2.9
[1] 3dzi.a 1.3 0.6 0.8 0.4 0.8 0.9 1.0 0.9 0.6 0.7 0.7 0.8 0.8 0.4 0.5 0.8 0.8 0.4
0
0.7 0.6 0.4 0.7 0.7 1.1 0.7 0.9 0.7 1.0 0.8 0.7 1.0 0.9 0.8 0.8 0.9 1.0 2.6 2.9
[1] 3dzi.b 1.3 0.8 0.9 0.7 0.6 0.9 0.9 1.0 0.7 0.8 0.8 0.5 0.8 0.7 0.7 0.8 0.4 0.7 0.7
0
0.8 0.7 0.9 0.7 1.1 0.7 0.7 0.7 0.8 0.8 0.6 0.9 0.6 0.8 0.8 0.9 1.0 2.8 2.9
[1] 3dzj.a 1.4 0.6 0.9 0.6 0.9 0.9 1.1 0.8 0.6 0.7 0.7 0.7 0.8 0.5 0.5 0.7 0.7 0.7 0.6 0.8
0
0.5 0.7 0.7 1.1 0.7 0.8 0.7 1.0 0.9 0.7 1.1 0.9 0.8 0.8 0.9 1.0 2.6 2.8
[1] 3dzk.a 1.2 0.6 0.8 0.4 0.8 0.8 0.9 0.8 0.5 0.6 0.5 0.7 0.7 0.3 0.3 0.8 0.7 0.5 0.4 0.7 0.5
0
0.6 0.5 1.1 0.6 0.8 0.6 1.0 0.7 0.6 1.0 0.9 0.7 0.6 0.9 1.0 2.7 2.9
[1] 3i9m.a 1.5 0.8 0.9 0.7 1.0 1.0 1.1 1.0 0.7 0.8 0.8 0.9 0.9 0.6 0.6 0.7 0.8 0.8 0.7 0.9 0.7 0.6
0
0.8 1.1 0.8 0.7 0.8 1.1 0.9 0.8 1.1 1.0 1.0 0.8 1.0 1.1 2.6 2.8
[1] 3i9n.a 1.2 0.7 0.9 0.7 0.9 0.8 1.1 0.9 0.7 0.7 0.6 0.7 0.8 0.6 0.5 1.0 0.7 0.8 0.7 0.7 0.7 0.5 0.8
0
1.1 0.5 0.8 0.6 1.0 0.8 0.8 1.0 1.0 0.6 0.5 0.9 0.9 2.9 3.1
[1] 3ofs.a 1.5 1.2 1.0 1.1 1.2 1.3 1.2 1.2 1.1 1.1 1.1 1.2 0.9 1.1 1.1 1.1 1.1 1.1 1.1 1.1 1.1 1.1 1.1 1.1
0
1.1 1.1 1.1 1.2 0.9 1.1 1.1 1.1 1.2 1.1 1.1 1.0 2.7 2.8
[1] 3rok.a 1.2 0.8 1.0 0.7 0.8 0.8 1.1 0.9 0.7 0.7 0.6 0.6 0.8 0.6 0.6 0.9 0.6 0.8 0.7 0.7 0.7 0.6 0.8 0.5 1.1
0
0.7 0.5 1.0 0.8 0.7 1.0 0.9 0.6 0.6 0.9 0.9 2.9 3.1
[1] 3rom.a 1.4 0.9 1.0 0.9 0.9 1.0 1.1 1.0 0.8 0.8 0.8 0.7 0.9 0.8 0.8 0.8 0.6 0.9 0.9 0.7 0.8 0.8 0.7 0.8 1.1 0.7
0
0.8 0.8 1.0 0.7 0.8 0.8 0.8 0.7 1.0 1.0 2.8 2.9
[1] 3rop.b 1.1 0.7 0.9 0.6 0.8 0.9 1.0 1.0 0.7 0.7 0.7 0.8 0.8 0.6 0.6 0.9 0.8 0.7 0.7 0.7 0.7 0.6 0.8 0.6 1.1 0.5 0.8
0
0.9 0.7 0.7 1.0 0.9 0.7 0.7 0.9 0.9 2.8 3.0
[1] 3roq.a 1.4 1.0 1.1 1.0 0.8 1.2 1.1 1.2 1.0 1.0 1.1 0.8 1.0 1.0 1.0 1.0 0.8 1.0 1.0 0.8 1.0 1.0 1.1 1.0 1.2 1.0 0.8 0.9
0
1.0 0.8 0.7 0.6 0.9 0.9 0.8 0.8 2.9 2.9
[1] 3u4h.a 1.1 0.8 0.9 0.7 0.9 1.0 1.1 1.0 0.8 0.8 0.7 0.9 0.7 0.7 0.7 1.0 0.9 0.8 0.8 0.8 0.9 0.7 0.9 0.8 0.9 0.8 1.0 0.7 1.0
0
0.8 0.9 1.0 0.9 0.8 1.1 1.0 2.8 3.0
[1] 3u4i.a 1.2 0.7 1.0 0.7 0.9 0.9 1.0 0.9 0.7 0.7 0.7 0.6 0.8 0.6 0.6 0.8 0.6 0.7 0.7 0.6 0.7 0.6 0.8 0.8 1.1 0.7 0.7 0.7 0.8 0.8
0
0.8 0.8 0.8 0.7 0.9 0.9 2.8 3.0
[1] 4f45.a 1.3 1.0 1.1 0.9 0.9 1.1 1.1 1.2 1.0 1.1 1.0 0.9 0.9 1.0 1.0 1.1 0.9 1.0 1.0 0.9 1.1 1.0 1.1 1.0 1.1 1.0 0.8 1.0 0.7 0.9 0.8
0
0.8 0.9 0.9 0.9 0.9 2.8 3.0
[1] 4f46.a 1.5 0.9 1.1 0.8 0.8 1.1 1.0 1.1 0.9 0.9 1.0 0.8 1.0 0.9 0.9 0.8 0.8 0.8 0.9 0.6 0.9 0.9 1.0 1.0 1.1 0.9 0.8 0.9 0.6 1.0 0.8 0.8
0
0.9 0.9 0.8 1.0 2.7 2.8
[1] 4f46.b 1.1 0.8 1.0 0.8 0.9 0.9 1.1 1.0 0.9 0.8 0.8 0.8 0.8 0.7 0.7 1.1 0.8 0.8 0.8 0.8 0.8 0.7 1.0 0.6 1.2 0.6 0.8 0.7 0.9 0.9 0.8 0.9 0.9
0
0.5 0.8 0.8 2.9 3.1
[1] 4tmf.a 1.1 0.8 1.0 0.8 0.9 0.8 1.1 0.9 0.7 0.7 0.7 0.7 0.8 0.7 0.6 1.0 0.7 0.8 0.8 0.8 0.8 0.6 0.8 0.5 1.1 0.6 0.7 0.7 0.9 0.8 0.7 0.9 0.9 0.5
0
0.8 0.8 2.8 3.1
[1] 4xjs.a 1.2 0.9 0.9 0.9 1.0 0.9 1.0 1.0 1.0 0.9 1.0 0.9 0.9 0.9 0.9 1.0 0.9 0.9 0.9 0.9 0.9 0.9 1.0 0.9 1.1 0.9 1.0 0.9 0.8 1.1 0.9 0.9 0.8 0.8 0.8
0
0.7 2.7 2.8
[1] 4xjt.a 1.0 1.0 0.9 1.0 1.0 1.0 1.2 1.2 1.1 1.0 1.1 0.9 0.8 1.0 0.9 1.1 1.0 1.0 1.0 1.0 1.0 1.0 1.1 0.9 1.0 0.9 1.0 0.9 0.8 1.0 0.9 0.9 1.0 0.8 0.8 0.7
0
2.9 3.0
[2] 3f6y.a 3.2 2.6 2.6 2.6 2.9 3.0 2.6 2.7 2.6 2.8 2.8 2.9 2.7 2.7 2.7 2.6 2.8 2.6 2.6 2.8 2.6 2.7 2.6 2.9 2.7 2.9 2.8 2.8 2.9 2.8 2.8 2.8 2.7 2.9 2.8 2.7 2.9
0
1.9
[3] 3raj.a 3.6 2.8 2.8 2.9 3.0 3.2 2.9 2.9 2.8 3.0 3.0 3.0 2.9 2.9 3.0 2.7 2.9 2.9 2.9 2.9 2.8 2.9 2.8 3.1 2.8 3.1 2.9 3.0 2.9 3.0 3.0 3.0 2.8 3.1 3.1 2.8 3.0 1.9
0
[Binding site full-atom RMSD matrix]







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