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GSTA3_HUMAN_2_222

Glutathione S-transferase A3 [GST superfamily. Alpha family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (GSTA3_HUMAN):D: GST N-terminal (9, 10)
D: GST C-terminal (107, 110, 111)
208, 212, 213, 216, 220, 222
9, 10, 107, 110, 111, 208, 212, 213, 216, 220, 222
Cofactors (cF):gsh

Full PDB list

1tdi, 2vcv

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF
F
1
0
P
1
1
0
L
1
1
1
A
2
0
8
A
2
1
2
L
2
1
3
A
2
1
6
F
2
2
0
F
2
2
2
[1]1tdi.b none . . . . . . . . - gsh
[1]2vcv.a asd21 . . . . . . . . . gsh

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 cF
Y
9
F
1
0
L
1
0
7
P
1
1
0
L
1
1
1
A
2
0
8
A
2
1
2
L
2
1
3
A
2
1
6
F
2
2
0
F
2
2
2
[1]1tdi.b . . . . . . . * . . - gsh
[1]2vcv.a . . . . . . . . . . . gsh

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
1tdi.b is apo
2vcv.a:asd
[1] 1tdi.b
-
1.1
[1] 2vcv.a -
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
1tdi.b
2vcv.a
[1] 1tdi.b
0
.09
[1] 2vcv.a .09
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.5 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
1tdi.b
2vcv.a
[1] 1tdi.b
0
0.5
[1] 2vcv.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
1tdi.b
2vcv.a
[1] 1tdi.b
0
1.0
[1] 2vcv.a 1.0
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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