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GSTA3_CHICK_1_229

Glutathione S-transferase 3 [GST superfamily. Alpha family]

Composition of the binding site

Protein chains homodimer [domain annotation]
A1 (GSTA3_CHICK):D: GST N-terminal (9, 14, 15, 54:56, 67, 68)
R: Glutathione binding (54, 55)
R: Glutathione binding (67, 68)
D: GST C-terminal (107, 108, 111)
220, 222, 223, 226
9, 14, 15, 54:56, 67, 68, 107, 108, 111, 220, 222, 223, 226
A2 (GSTA3_CHICK):D: GST C-terminal (101, 131)101, 131

Full PDB list

1vf1, 1vf2, 1vf3, 1vf4

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2
Y
9
G
1
4
K
1
5
Q
5
4
V
5
5
Q
6
7
T
6
8
L
1
0
7
S
1
0
8
F
1
1
1
L
2
2
0
M
2
2
2
Y
2
2
3
V
2
2
6
D
1
0
1
R
1
3
1
[1]1vf1.a gsh20 . . . . . . . . . . . . . . . .
[1]1vf2.a gtx26 . . . . . . . . . . . . . . . .
[1]1vf3.a gdn32 . . . . . . . . . . . . . . . .
[1]1vf4.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
K
1
5
Q
5
4
V
5
5
P
5
6
Q
6
7
T
6
8
L
1
0
7
S
1
0
8
F
1
1
1
L
2
2
0
M
2
2
2
Y
2
2
3
V
2
2
6
D
1
0
1
R
1
3
1
[1]1vf1.a . . . . . . . . . . . . . . . . .
[1]1vf2.a . . . . . . . . . . . . . . . . .
[1]1vf3.a . . . . . . . . . . . . . . . . .
[1]1vf4.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
1vf1.a:gsh
1vf2.a:gtx
1vf3.a:gdn
1vf4.a is apo
[1] 1vf1.a
0
0 0.5 -
[1] 1vf2.a 0
0
1.1 -
[1] 1vf3.a 0 0
0
-
[1] 1vf4.a 0 0.1 1.1
-
[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
1vf1.a
1vf2.a
1vf3.a
1vf4.a
[1] 1vf1.a
0
.04 .03 .04
[1] 1vf2.a .04
0
.06 .05
[1] 1vf3.a .03 .06
0
.06
[1] 1vf4.a .04 .05 .06
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.6 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone 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
1vf1.a
1vf2.a
1vf3.a
1vf4.a
[1] 1vf1.a
0
0.3 0.4 0.3
[1] 1vf2.a 0.3
0
0.3 0.3
[1] 1vf3.a 0.4 0.3
0
0.5
[1] 1vf4.a 0.3 0.3 0.5
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

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
1vf1.a
1vf2.a
1vf3.a
1vf4.a
[1] 1vf1.a
0
0.6 0.6 0.4
[1] 1vf2.a 0.6
0
0.6 0.7
[1] 1vf3.a 0.6 0.6
0
0.7
[1] 1vf4.a 0.4 0.7 0.7
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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