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GSTF2_ARATH_1_212

Glutathione S-transferase F2 [GST superfamily. Phi family]

Composition of the binding site

Protein chains homodimer [domain annotation]
A1 (GSTF2_ARATH):D: GST N-terminal (70, 73, 74, 77)
D: GST C-terminal (93, 94, 97, 98, 101)
91, 92
70, 73, 74, 77, 91:94, 97, 98, 101
A2 (GSTF2_ARATH):D: GST N-terminal (70, 73, 74, 77)
D: GST C-terminal (93, 94, 97, 98, 101)
87, 91, 92
70, 73, 74, 77, 87, 91:94, 97, 98, 101

Full PDB list

1bx9, 1gnw, 5a4u, 5a4v, 5a4w (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2
Q
7
3
Y
7
4
H
7
7
Y
9
7
A
1
0
1
Q
7
3
Y
7
4
H
7
7
I
9
4
Y
9
7
A
9
8
A
1
0
1
[1]5a4u.a none . . . . . . . . . . . .
[1]5a4u.d i3a11 . . . . . . . . . . . .
[1]5a4v.b que22 . . . . . . . . . . . .
[1]5a4w.d qct22 . . . . . . . . . . . .

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
A
7
0
Q
7
3
Y
7
4
H
7
7
S
9
1
K
9
2
N
9
3
I
9
4
Y
9
7
A
9
8
A
1
0
1
A
7
0
Q
7
3
Y
7
4
H
7
7
L
8
7
S
9
1
K
9
2
N
9
3
I
9
4
Y
9
7
A
9
8
A
1
0
1
[1]5a4u.a . . . . . . . . . . . . . . . . . . . . . . .
[1]5a4u.d . . . . . . . . . . . . * . . . . . . . . . .
[1]5a4v.b . . . . . . . . . . . . . . . . . . . . . . .
[1]5a4w.d . . . . . . . . . . . . . . . . . . . . . . .

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
5a4u.a is apo
5a4u.d:i3a
5a4v.b:que
5a4w.d:qct
[1] 5a4u.a
-
0 0.2 0.3
[1] 5a4u.d -
0
0.2 1.7
[1] 5a4v.b - 0.1
0
0
[1] 5a4w.d - 0 0.1
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
5a4u.a
5a4u.d
5a4v.b
5a4w.d
[1] 5a4u.a
0
.06 .03 .01
[1] 5a4u.d .06
0
.09 .07
[1] 5a4v.b .03 .09
0
.01
[1] 5a4w.d .01 .07 .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.4 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
5a4u.a
5a4u.d
5a4v.b
5a4w.d
[1] 5a4u.a
0
0.2 0.2 0.4
[1] 5a4u.d 0.2
0
0.2 0.3
[1] 5a4v.b 0.2 0.2
0
0.3
[1] 5a4w.d 0.4 0.3 0.3
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
5a4u.a
5a4u.d
5a4v.b
5a4w.d
[1] 5a4u.a
0
0.5 0.2 0.5
[1] 5a4u.d 0.5
0
0.4 0.5
[1] 5a4v.b 0.2 0.4
0
0.4
[1] 5a4w.d 0.5 0.5 0.4
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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