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ARSC_STAAU_1_131

Arsenate reductase [Low molecular weight phosphotyrosine protein phosphatase family. Thioredoxin-coupled ArsC subfamily]

Composition of the binding site

Protein chains monomer
A1 (ARSC_STAAU):9, 39, 67, 78, 85, 88:90, 92, 989, 39, 67, 78, 85, 88:90, 92, 98
Metals (Me):Na/K

Full PDB list

1jf8, 1jfv, 1ljl, 1lju, 1lk0, 1rxe, 1rxi, 2cd7, 2fxi (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1 Me
I
9
I
3
9
I
6
7
A
8
5
N
8
8
C
8
9
P
9
0
[1]1rxe.a mnb13 . . . . . * . K
[2]1lk0.a none . . . . . L . K
[3]2cd7.a none . . . . . . . Na

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 Me
I
9
I
3
9
I
6
7
V
7
8
A
8
5
N
8
8
C
8
9
P
9
0
L
9
2
K
9
8
[1]1rxe.a . . . . . . * . . . K
[2]1lk0.a . . . . . * L . . . K
[3]2cd7.a . . . . . . * * . . Na

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
1rxe.a:mnb
1lk0.a is apo
2cd7.a is apo
[1] 1rxe.a
0.4
- -
[2] 1lk0.a 4.5
-
-
[3] 2cd7.a 4.8 -
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (3 clusters)

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
1rxe.a
1lk0.a
2cd7.a
[1] 1rxe.a
0
.29 .31
[2] 1lk0.a .29
0
.29
[3] 2cd7.a .31 .29
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.5 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
1rxe.a
1lk0.a
2cd7.a
[1] 1rxe.a
0
1.2 1.7
[2] 1lk0.a 1.2
0
1.5
[3] 2cd7.a 1.7 1.5
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.2 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
1rxe.a
1lk0.a
2cd7.a
[1] 1rxe.a
0
1.5 1.9
[2] 1lk0.a 1.5
0
1.7
[3] 2cd7.a 1.9 1.7
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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