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ACTP2_STIHL_1_175

DELTA-stichotoxin-She4b [Actinoporin family. Sea anemone subfamily]

Composition of the binding site

Protein chains homodimer [domain annotation]
A1 (ACTP2_STIHL):51, 131, 135, 13651, 105, 111, 131, 135, 136
A3 (ACTP2_STIHL):R: N-terminal region (26:28)
75, 78
26:28, 75, 78

Full PDB list

1gwy, 1o71, 1o72 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A3
P
1
0
5
Y
1
1
1
Y
1
3
1
Y
1
3
5
Y
1
3
6
V
2
7
S
2
8
K
7
5
G
7
8
[1]1gwy.b none . . . . . . . . .
[1]1o72.b pc11 . . . . . . . . .

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

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PDB.ch
A1 A3
R
5
1
P
1
0
5
Y
1
1
1
Y
1
3
1
Y
1
3
5
Y
1
3
6
K
2
6
V
2
7
S
2
8
K
7
5
G
7
8
[1]1gwy.b . . . . . . * . . . .
[1]1o72.b . . . . . . . . . . .

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
1gwy.b is apo
1o72.b:pc
[1] 1gwy.b
-
1.4
[1] 1o72.b -
0.1
[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
1gwy.b
1o72.b
[1] 1gwy.b
0
.12
[1] 1o72.b .12
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.7 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
1gwy.b
1o72.b
[1] 1gwy.b
0
0.6
[1] 1o72.b 0.6
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.3 Å)

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

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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
1gwy.b
1o72.b
[1] 1gwy.b
0
1.4
[1] 1o72.b 1.4
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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