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GSTM2_HUMAN_2_218

Glutathione S-transferase Mu 2 [GST superfamily. Mu family]

Composition of the binding site

Protein chains homodimer [domain annotation]
A1 (GSTM2_HUMAN):D: GST N-terminal (7, 8, 10, 12, 13, 35, 43, 46, 50, 59:61, 72, 73)
R: Glutathione binding (7, 8)
R: Glutathione binding (43, 46)
R: Glutathione binding (59, 60)
R: Glutathione binding (72, 73)
D: GST C-terminal (105, 106, 108, 109, 112, 116, 166)
209, 210, 212
7, 8, 10, 12, 13, 35, 43, 46, 50, 59:61, 72, 73, 105, 106, 108, 109, 112, 116, 166, 209, 210, 212
A2 (GSTM2_HUMAN):D: GST N-terminal (7, 8, 10, 12, 13, 43, 46, 50, 59:61, 72, 73)
R: Glutathione binding (7, 8)
R: Glutathione binding (43, 46)
R: Glutathione binding (59, 60)
R: Glutathione binding (72, 73)
D: GST C-terminal (105, 106, 108, 109, 112, 113, 116)
209
7, 8, 10, 12, 13, 43, 46, 50, 59:61, 72, 73, 105, 106, 108, 109, 112, 113, 116, 209

Full PDB list

1hna, 1hnb, 1hnc, 1xw5, 1ykc, 2ab6, 2c4j, 2gtu, 3gtu, 3gur, 5hwl (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2
Y
7
W
8
I
1
0
G
1
2
L
1
3
M
3
5
R
4
3
W
4
6
K
5
0
N
5
9
L
6
0
P
6
1
Q
7
2
S
7
3
M
1
0
5
D
1
0
6
R
1
0
8
M
1
0
9
A
1
1
2
Y
1
1
6
R
1
6
6
F
2
0
9
T
2
1
0
Y
7
W
8
I
1
0
G
1
2
L
1
3
W
4
6
K
5
0
N
5
9
L
6
0
Q
7
2
S
7
3
M
1
0
5
D
1
0
6
R
1
0
8
M
1
0
9
A
1
1
2
Y
1
1
6
F
2
0
9
[1]1hna.a gdn20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1xw5.a gsh20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1ykc.b gds40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2ab6.c gsm21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2c4j.b gso29 . . . . . . . . . . . . . . . . . . . . . . S . . . . . . . . . . . . . . . . . .
[1]2gtu.b none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3gur.a byg40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5hwl.a gsh,gsh.nne82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5hwl.b gsh.nne62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
7
W
8
I
1
0
G
1
2
L
1
3
M
3
5
R
4
3
W
4
6
K
5
0
N
5
9
L
6
0
P
6
1
Q
7
2
S
7
3
M
1
0
5
D
1
0
6
R
1
0
8
M
1
0
9
A
1
1
2
Y
1
1
6
R
1
6
6
F
2
0
9
T
2
1
0
M
2
1
2
Y
7
W
8
I
1
0
G
1
2
L
1
3
R
4
3
W
4
6
K
5
0
N
5
9
L
6
0
P
6
1
Q
7
2
S
7
3
M
1
0
5
D
1
0
6
R
1
0
8
M
1
0
9
A
1
1
2
K
1
1
3
Y
1
1
6
F
2
0
9
[1]1hna.a . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1xw5.a . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . * . . . .
[1]1ykc.b . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2ab6.c . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2c4j.b . . . . . . . . . . . . . . . . . . . . . . S . . . . . . . . . . . . . . . . . * . . . .
[1]2gtu.b . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . * . . . .
[1]3gur.a . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . * . . . .
[1]5hwl.a . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . .
[1]5hwl.b . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . .

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
1hna.a:gdn
1xw5.a:gsh
1ykc.b:gds
2ab6.c:gsm
2c4j.b:gso
2gtu.b is apo
3gur.a:byg
5hwl.a:gsh,gsh.nne
5hwl.b:gsh.nne
[1] 1hna.a
0
0.1 0.3 0 0.2 - 0.5 2.2 2.1
[1] 1xw5.a 0.1
0
0 0 0.7 - 0.4 1.0 1.3
[1] 1ykc.b 0 0.1
0
0.1 0.3 - 0.3 1.2 1.1
[1] 2ab6.c 0.2 0.3 0
0
0.4 - 0.7 1.1 1.1
[1] 2c4j.b 0 0 0 0
0
- 1.0 1.7 1.6
[1] 2gtu.b 0.2 0.1 0.1 0.1 0.3
-
0.3 1.7 1.8
[1] 3gur.a 0.2 0.1 0.1 0 0.6 -
0.2
2.5 2.3
[1] 5hwl.a 0.1 0.1 0.1 0 0.6 - 0.4
0
0.1
[1] 5hwl.b 0.1 0.1 0.1 0.1 0.7 - 0.2 0.2
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
1hna.a
1xw5.a
1ykc.b
2ab6.c
2c4j.b
2gtu.b
3gur.a
5hwl.a
5hwl.b
[1] 1hna.a
0
.04 .03 .05 .04 .04 .03 .07 .07
[1] 1xw5.a .04
0
.03 .04 .05 .03 .03 .03 .04
[1] 1ykc.b .03 .03
0
.02 .04 .02 .03 .04 .04
[1] 2ab6.c .05 .04 .02
0
.04 .04 .04 .05 .05
[1] 2c4j.b .04 .05 .04 .04
0
.04 .04 .07 .08
[1] 2gtu.b .04 .03 .02 .04 .04
0
.02 .05 .05
[1] 3gur.a .03 .03 .03 .04 .04 .02
0
.06 .07
[1] 5hwl.a .07 .03 .04 .05 .07 .05 .06
0
.01
[1] 5hwl.b .07 .04 .04 .05 .08 .05 .07 .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.8 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
1hna.a
1xw5.a
1ykc.b
2ab6.c
2c4j.b
2gtu.b
3gur.a
5hwl.a
5hwl.b
[1] 1hna.a
0
1.0 0.8 0.9 0.8 1.0 0.8 1.0 0.9
[1] 1xw5.a 1.0
0
0.5 0.3 0.6 0.7 0.3 0.2 0.3
[1] 1ykc.b 0.8 0.5
0
0.5 0.4 0.5 0.3 0.4 0.5
[1] 2ab6.c 0.9 0.3 0.5
0
0.6 0.8 0.3 0.3 0.3
[1] 2c4j.b 0.8 0.6 0.4 0.6
0
0.7 0.5 0.6 0.5
[1] 2gtu.b 1.0 0.7 0.5 0.8 0.7
0
0.6 0.7 0.8
[1] 3gur.a 0.8 0.3 0.3 0.3 0.5 0.6
0
0.3 0.4
[1] 5hwl.a 1.0 0.2 0.4 0.3 0.6 0.7 0.3
0
0.3
[1] 5hwl.b 0.9 0.3 0.5 0.3 0.5 0.8 0.4 0.3
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.5 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
1hna.a
1xw5.a
1ykc.b
2ab6.c
2c4j.b
2gtu.b
3gur.a
5hwl.a
5hwl.b
[1] 1hna.a
0
1.4 1.1 1.4 1.2 1.3 1.3 1.3 1.3
[1] 1xw5.a 1.4
0
0.7 0.5 0.9 1.1 0.6 0.4 0.5
[1] 1ykc.b 1.1 0.7
0
0.7 0.8 0.8 0.7 0.7 0.7
[1] 2ab6.c 1.4 0.5 0.7
0
0.8 1.1 0.7 0.5 0.5
[1] 2c4j.b 1.2 0.9 0.8 0.8
0
1.0 0.8 0.8 0.8
[1] 2gtu.b 1.3 1.1 0.8 1.1 1.0
0
1.1 1.0 1.0
[1] 3gur.a 1.3 0.6 0.7 0.7 0.8 1.1
0
0.6 0.7
[1] 5hwl.a 1.3 0.4 0.7 0.5 0.8 1.0 0.6
0
0.3
[1] 5hwl.b 1.3 0.5 0.7 0.5 0.8 1.0 0.7 0.3
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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