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GSTA_ECOLI_1_201

Glutathione S-transferase GstA [GST superfamily. Beta family]

Composition of the binding site

Protein chains homodimer [domain annotation]
A1 (GSTA_ECOLI):D: GST N-terminal (9, 10, 32, 35, 51:53, 65, 66)
R: Glutathione binding (65, 66)
D: GST C-terminal (106, 107, 113, 164)
R: Glutathione binding (106)
9, 10, 32, 35, 51:53, 65, 66, 106, 107, 113, 164
A2 (GSTA_ECOLI):D: GST C-terminal (99, 103, 104)
R: Glutathione binding (103, 104)
99, 103, 104

Full PDB list

1a0f, 1n2a, 4kgi (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2
A
9
C
1
0
L
3
2
K
3
5
Q
5
1
V
5
2
P
5
3
E
6
5
G
6
6
H
1
0
6
K
1
0
7
F
1
1
3
W
1
6
4
N
9
9
T
1
0
3
E
1
0
4
[1]1n2a.a gts23 . . . . . . . . . . . . . . . .
[1]4kgi.d gsh20 . . . . . . . . . . . . . . . .

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
A
9
C
1
0
L
3
2
K
3
5
Q
5
1
V
5
2
P
5
3
E
6
5
G
6
6
H
1
0
6
K
1
0
7
F
1
1
3
W
1
6
4
N
9
9
T
1
0
3
E
1
0
4
[1]1n2a.a . . . . . . . . . . . . . . . .
[1]4kgi.d . . . . . . . . . . . . . . . .

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
1n2a.a:gts
4kgi.d:gsh
[1] 1n2a.a
0.1
0.1
[1] 4kgi.d 0.1
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
1n2a.a
4kgi.d
[1] 1n2a.a
0
0
[1] 4kgi.d 0
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
1n2a.a
4kgi.d
[1] 1n2a.a
0
0.2
[1] 4kgi.d 0.2
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.1 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
1n2a.a
4kgi.d
[1] 1n2a.a
0
0.5
[1] 4kgi.d 0.5
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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