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GSTO1_HUMAN_1_241

Glutathione S-transferase omega-1 [GST superfamily. Omega family]

Composition of the binding site

Protein chains homodimer [domain annotation]
A1 (GSTO1_HUMAN):D: GST N-terminal (37, 87, 88, 91)
D: GST C-terminal (114, 117, 121, 172, 176)
103
37, 87, 88, 91, 103, 114, 117, 121, 172, 176
A2 (GSTO1_HUMAN):D: GST C-terminal (114, 118, 121)114, 118, 121

Full PDB list

1eem, 3lfl, 3vln, 4is0, 4yqm, 4yqu, 4yqv, 5ueh, 5v3q (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2
R
3
7
A
8
7
I
8
8
E
9
1
K
1
1
4
L
1
1
7
S
1
2
1
M
1
7
2
L
1
7
6
K
1
1
4
E
1
1
8
S
1
2
1
[1]4is0.a 1r432 . . . . . . . . . . . .
[1]4yqv.a none . . . . . . . . . . . .

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 A2
R
3
7
A
8
7
I
8
8
E
9
1
L
1
0
3
K
1
1
4
L
1
1
7
S
1
2
1
M
1
7
2
L
1
7
6
K
1
1
4
E
1
1
8
S
1
2
1
[1]4is0.a . . . . . . . . . . . . .
[1]4yqv.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
4is0.a:1r4
4yqv.a is apo
[1] 4is0.a
0.1
-
[1] 4yqv.a 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
4is0.a
4yqv.a
[1] 4is0.a
0
.06
[1] 4yqv.a .06
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.3 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
4is0.a
4yqv.a
[1] 4is0.a
0
0.5
[1] 4yqv.a 0.5
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

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
4is0.a
4yqv.a
[1] 4is0.a
0
0.5
[1] 4yqv.a 0.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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