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BST1_HUMAN_33_297

ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2 [ADP-ribosyl cyclase family]

Composition of the binding site

Protein chains monomer
A1 (BST1_HUMAN):37, 108:114, 129, 130, 138:141, 143, 168, 169, 172, 176, 205, 206, 21037, 108:114, 129, 130, 138:141, 143, 168, 169, 172, 176, 205, 206, 210

Full PDB list

1isf, 1isg, 1ish, 1isi, 1isj, 1ism

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
F
1
0
8
W
1
0
9
E
1
1
0
N
1
1
1
S
1
1
2
H
1
1
3
L
1
2
9
S
1
3
0
A
1
3
8
D
1
3
9
F
1
4
0
L
1
4
1
W
1
4
3
V
1
6
8
D
1
6
9
W
1
7
2
S
1
7
6
F
2
0
5
F
2
0
6
E
2
1
0
[1]1isf.a none . . . . . . . . . . . . . . . . . . . .
[1]1isg.a ags31 . . . . . . . . . . . . . . . . . . . .
[1]1ish.a enp42 . . . . . . . . . . . . . . . . . . . .
[1]1isi.a enq,nca47 . . . . . . . . . . . . . . . . . . . .
[1]1isj.a nmn22 . . . . . . . . . . . . . . . . . . . .
[1]1ism.a nca9 . . . . . . . . . . . . . . . . . . . .

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
E
3
7
F
1
0
8
W
1
0
9
E
1
1
0
N
1
1
1
S
1
1
2
H
1
1
3
L
1
1
4
L
1
2
9
S
1
3
0
A
1
3
8
D
1
3
9
F
1
4
0
L
1
4
1
W
1
4
3
V
1
6
8
D
1
6
9
W
1
7
2
S
1
7
6
F
2
0
5
F
2
0
6
E
2
1
0
[1]1isf.a . . . . . . . . . . . . * . . . . . . . . .
[1]1isg.a . . . . . . . . . . . . * . . . . . . . . .
[1]1ish.a . . . . . . . . . . . . . . . . . . . . . .
[1]1isi.a . . . . . . . . . . . . . . . . . . . . . .
[1]1isj.a . . . . . . . . . . . . * . . . . . . . . .
[1]1ism.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

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
1isf.a is apo
1isg.a:ags
1ish.a:enp
1isi.a:enq,nca
1isj.a:nmn
1ism.a:nca
[1] 1isf.a
-
0.4 1.2 2.1 0.2 0
[1] 1isg.a -
0
1.1 2.2 0.1 0
[1] 1ish.a - 0.5
0.4
0.9 0.1 0
[1] 1isi.a - 0.3 0.2
0.1
0 0
[1] 1isj.a - 0.4 1.2 2.0
0
0
[1] 1ism.a - 0.4 1.5 2.1 0.1
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

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

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pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
1isf.a
1isg.a
1ish.a
1isi.a
1isj.a
1ism.a
[1] 1isf.a
0
.04 .07 .11 .02 .04
[1] 1isg.a .04
0
.10 .12 .04 .05
[1] 1ish.a .07 .10
0
.05 .06 .08
[1] 1isi.a .11 .12 .05
0
.10 .11
[1] 1isj.a .02 .04 .06 .10
0
.02
[1] 1ism.a .04 .05 .08 .11 .02
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.5 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone atoms

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1isf.a
1isg.a
1ish.a
1isi.a
1isj.a
1ism.a
[1] 1isf.a
0
0.2 0.2 0.3 0.1 0.3
[1] 1isg.a 0.2
0
0.2 0.3 0.2 0.2
[1] 1ish.a 0.2 0.2
0
0.2 0.2 0.3
[1] 1isi.a 0.3 0.3 0.2
0
0.2 0.4
[1] 1isj.a 0.1 0.2 0.2 0.2
0
0.2
[1] 1ism.a 0.3 0.2 0.3 0.4 0.2
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.2 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue atoms

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1isf.a
1isg.a
1ish.a
1isi.a
1isj.a
1ism.a
[1] 1isf.a
0
0.2 0.5 0.6 0.4 0.4
[1] 1isg.a 0.2
0
0.5 0.6 0.4 0.4
[1] 1ish.a 0.5 0.5
0
0.6 0.6 0.6
[1] 1isi.a 0.6 0.6 0.6
0
0.5 0.6
[1] 1isj.a 0.4 0.4 0.6 0.5
0
0.5
[1] 1ism.a 0.4 0.4 0.6 0.6 0.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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