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GST_PLAFA_1_211

Glutathione S-transferase [GST superfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (GST_PLAFA):D: GST N-terminal (9, 10, 12:15, 45, 49, 57:60, 71:73)
R: Glutathione binding (58, 59)
R: Glutathione binding (71, 72)
D: GST C-terminal (104, 107, 108, 111, 112, 115, 116, 171, 209:211)
9, 10, 12:15, 45, 49, 57:60, 71:73, 104, 107, 108, 111, 112, 115, 116, 171, 209:211

Full PDB list

1okt, 1pa3, 1q4j, 2aaw, 3fr3, 3fr6, 3fr9, 3frc, 4zxg (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
Y
9
F
1
0
A
1
2
R
1
3
G
1
4
K
1
5
F
4
5
E
5
7
Q
5
8
V
5
9
P
6
0
Q
7
1
S
7
2
Q
7
3
Q
1
0
4
H
1
0
7
Y
1
0
8
N
1
1
1
L
1
1
5
F
1
1
6
Y
2
1
1
[1]1okt.a none . . . . . . . . . . . . . . . . . . . . .
[1]3fr3.a gds40 . . . . . . . . . . . . . . . . . . - - -
[1]3fr6.a mg1 . . . . . . . . . . . . . . . . . . . . -
[1]3fr9.a gsh20 . . . . . . . . . . . . . . . . . . . . -
[2]1q4j.a gtx26 . . . . . . . . . . . . . . . . . . . . .
[2]2aaw.a gtx,p3348 . . . . . . . . . . . . . . . . . . . . .
[3]3frc.b 0hg28 . . . . . . . . . . . . . . . . . . . . .

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
Y
9
F
1
0
A
1
2
R
1
3
G
1
4
K
1
5
F
4
5
K
4
9
E
5
7
Q
5
8
V
5
9
P
6
0
Q
7
1
S
7
2
Q
7
3
Q
1
0
4
H
1
0
7
Y
1
0
8
N
1
1
1
N
1
1
2
L
1
1
5
F
1
1
6
D
1
7
1
S
2
0
9
V
2
1
0
Y
2
1
1
[1]1okt.a . . . . . . . . . . . . . . * . . . . . . . . . . *
[1]3fr3.a . . . . . . . . . . . . . . . . . . . . - - . - - -
[1]3fr6.a . . . . . . . . . . . . . . . . . . . . . . . - - -
[1]3fr9.a . . . . . . . . . . . . . . . . . . . . . . . - - -
[2]1q4j.a . . . . . . . . . . . . . . . . . . . . . . . . . *
[2]2aaw.a . . . . . . . . . . . . . . . . . . . . . . . . . *
[3]3frc.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
1okt.a is apo
3fr3.a:gds
3fr6.a:mg
3fr9.a:gsh
1q4j.a:gtx
2aaw.a:gtx,p33
3frc.b:0hg
[1] 1okt.a
-
2.9 0.6 0.2 0.6 0.7 0.1
[1] 3fr3.a -
0
0 0.2 0.6 0.3 0.1
[1] 3fr6.a - 0.3
0
0.1 0.9 1.1 0
[1] 3fr9.a - 0.2 0
0
0.6 1.7 0
[2] 1q4j.a - 6.2 0.1 0.1
0.2
0 0.1
[2] 2aaw.a - 7.9 0 0.2 0.2
0
0.3
[3] 3frc.b - 4.6 0 0.1 0.6 3.6
0.1
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (3 clusters)

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
1okt.a
3fr3.a
3fr6.a
3fr9.a
1q4j.a
2aaw.a
3frc.b
[1] 1okt.a
0
.17 .17 .20 .20 .27 .26
[1] 3fr3.a .17
0
.09 .09 .26 .33 .34
[1] 3fr6.a .17 .09
0
.09 .31 .37 .30
[1] 3fr9.a .20 .09 .09
0
.32 .37 .28
[2] 1q4j.a .20 .26 .31 .32
0
.09 .36
[2] 2aaw.a .27 .33 .37 .37 .09
0
.41
[3] 3frc.b .26 .34 .30 .28 .36 .41
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.6 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
1okt.a
3fr3.a
3fr6.a
3fr9.a
1q4j.a
2aaw.a
3frc.b
[1] 1okt.a
0
0.5 0.5 2.8 1.7 2.4 2.8
[1] 3fr3.a 0.5
0
0.7 0.8 0.5 0.6 0.8
[1] 3fr6.a 0.5 0.7
0
2.7 1.9 2.4 2.6
[1] 3fr9.a 2.8 0.8 2.7
0
2.1 0.6 0.3
[2] 1q4j.a 1.7 0.5 1.9 2.1
0
1.8 2.2
[2] 2aaw.a 2.4 0.6 2.4 0.6 1.8
0
1.0
[3] 3frc.b 2.8 0.8 2.6 0.3 2.2 1.0
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.8 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
1okt.a
3fr3.a
3fr6.a
3fr9.a
1q4j.a
2aaw.a
3frc.b
[1] 1okt.a
0
1.1 1.0 3.8 2.5 3.6 3.8
[1] 3fr3.a 1.1
0
1.1 1.0 0.8 1.3 1.7
[1] 3fr6.a 1.0 1.1
0
3.6 2.4 3.5 3.7
[1] 3fr9.a 3.8 1.0 3.6
0
2.4 1.2 1.3
[2] 1q4j.a 2.5 0.8 2.4 2.4
0
2.3 2.7
[2] 2aaw.a 3.6 1.3 3.5 1.2 2.3
0
1.6
[3] 3frc.b 3.8 1.7 3.7 1.3 2.7 1.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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