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ATSK_PSEPU_1_301

Alpha-ketoglutarate-dependent sulfate ester dioxygenase [TfdA dioxygenase family]

Composition of the binding site

Protein chains monomer
A1 (ATSK_PSEPU):81, 96, 104, 106, 108, 110, 111, 113, 167:169, 215, 27981, 96, 104, 106, 108, 110, 111, 113, 167:169, 215, 279
Metals (Me):Fe

Full PDB list

1oih, 1oii, 1oij, 1oik, 1vz4, 1vz5 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
H
8
1
A
1
0
4
S
1
0
6
H
1
0
8
D
1
1
0
V
1
1
1
F
2
1
5
R
2
7
9
[1]1oik.a c2613 . . . . . . . . Fe
[2]1vz4.d none . . . . . . . . Fe

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
H
8
1
L
9
6
A
1
0
4
S
1
0
6
H
1
0
8
D
1
1
0
V
1
1
1
F
1
1
3
D
1
6
7
Y
1
6
8
A
1
6
9
F
2
1
5
R
2
7
9
[1]1oik.a . - . . . . . . - - - . . Fe
[2]1vz4.d . . . . . . . . . * * . . Fe

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
1oik.a:c26
1vz4.d is apo
[1] 1oik.a
0.1
-
[2] 1vz4.d 6.5
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 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
1oik.a
1vz4.d
[1] 1oik.a
0
.46
[2] 1vz4.d .46
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.8 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
1oik.a
1vz4.d
[1] 1oik.a
0
0.7
[2] 1vz4.d 0.7
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
1oik.a
1vz4.d
[1] 1oik.a
0
1.7
[2] 1vz4.d 1.7
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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