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GSTA4_MOUSE_2_222

Glutathione S-transferase A4 [GST superfamily. Alpha family]

Composition of the binding site

Protein chains homodimer [domain annotation]
A1 (GSTA4_MOUSE):D: GST N-terminal (9, 14, 15, 41, 53:56, 66:68)
R: Glutathione binding (53:55)
R: Glutathione binding (66:68)
D: GST C-terminal (107, 111)
212, 220, 222
9, 14, 15, 41, 53:56, 66:68, 107, 111, 212, 220, 222
A2 (GSTA4_MOUSE):D: GST C-terminal (97, 127, 131)97, 127, 131

Full PDB list

1b48, 1guk

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2
Y
9
G
1
4
R
1
5
Y
4
1
G
5
3
Q
5
4
V
5
5
P
5
6
T
6
6
Q
6
7
T
6
8
A
1
0
7
F
1
1
1
Y
2
1
2
L
2
2
0
F
2
2
2
D
9
7
R
1
3
1
[1]1b48.a hag31 . . . . . . . . . . . . . . . . . .
[1]1b48.b gsh20 . . . . . . . . . . . . . . . . . .
[1]1guk.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
Y
9
G
1
4
R
1
5
Y
4
1
G
5
3
Q
5
4
V
5
5
P
5
6
T
6
6
Q
6
7
T
6
8
A
1
0
7
F
1
1
1
Y
2
1
2
L
2
2
0
F
2
2
2
D
9
7
R
1
2
7
R
1
3
1
[1]1b48.a . . . . . . . . . . . . . . . . . . .
[1]1b48.b . . . . . . . . . . . . . . . . . . .
[1]1guk.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
1b48.a:hag
1b48.b:gsh
1guk.a is apo
[1] 1b48.a
0.1
0.6 -
[1] 1b48.b 0.3
0
-
[1] 1guk.a 2.0 0.5
-
[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
1b48.a
1b48.b
1guk.a
[1] 1b48.a
0
.04 .08
[1] 1b48.b .04
0
.11
[1] 1guk.a .08 .11
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.0 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
1b48.a
1b48.b
1guk.a
[1] 1b48.a
0
0.6 0.5
[1] 1b48.b 0.6
0
0.5
[1] 1guk.a 0.5 0.5
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.4 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
1b48.a
1b48.b
1guk.a
[1] 1b48.a
0
1.3 1.0
[1] 1b48.b 1.3
0
1.2
[1] 1guk.a 1.0 1.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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