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GSTA2_HUMAN_1_222

Glutathione S-transferase A2 [GST superfamily. Alpha family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (GSTA2_HUMAN):D: GST N-terminal (9, 12, 14, 15)
D: GST C-terminal (107, 108, 111)
220, 222
9, 12, 14, 15, 107, 108, 111, 220, 222
Cofactors (cF):gsh

Full PDB list

2vct, 2wju, 4acs

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF
Y
9
I
1
2
G
1
4
L
1
0
7
L
1
0
8
F
1
1
1
F
2
2
0
F
2
2
2
[1]2vct.a asd21 . . . . . . . .
[1]2wju.a none . . . . . . . . gsh
[1]4acs.b none . . . G D . . - gsh
[1]4acs.c none . . . G D . . H 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
I
1
2
G
1
4
R
1
5
L
1
0
7
L
1
0
8
F
1
1
1
F
2
2
0
F
2
2
2
[1]2vct.a . . . . . . . . .
[1]2wju.a . . . . . . . . * gsh
[1]4acs.b . . . . G D . . - gsh
[1]4acs.c . . . . G D . . H 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
2vct.a:asd
2wju.a is apo
4acs.b is apo
4acs.c is apo
[1] 2vct.a
0
- - -
[1] 2wju.a 1.5
-
- -
[1] 4acs.b 0 -
-
-
[1] 4acs.c 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
2vct.a
2wju.a
4acs.b
4acs.c
[1] 2vct.a
0
.17 0 .01
[1] 2wju.a .17
0
.17 .16
[1] 4acs.b 0 .17
0
.01
[1] 4acs.c .01 .16 .01
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
2vct.a
2wju.a
4acs.b
4acs.c
[1] 2vct.a
0
0.9 1.1 2.2
[1] 2wju.a 0.9
0
0.9 1.4
[1] 4acs.b 1.1 0.9
0
0.6
[1] 4acs.c 2.2 1.4 0.6
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.9 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue 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
2vct.a
2wju.a
4acs.b
4acs.c
[1] 2vct.a
0
1.1 1.1 1.9
[1] 2wju.a 1.1
0
0.9 1.3
[1] 4acs.b 1.1 0.9
0
0.6
[1] 4acs.c 1.9 1.3 0.6
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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