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GST26_SCHJA_1_218

Glutathione S-transferase class-mu 26 kDa isozyme [GST superfamily. Mu family]

Composition of the binding site

Protein chains homodimer [domain annotation]
A1 (GST26_SCHJA):D: GST N-terminal (67)
R: Glutathione binding (67)
D: GST C-terminal (101, 104, 105, 107, 108)
67, 101, 104, 105, 107, 108
A2 (GST26_SCHJA):D: GST C-terminal (97, 100, 101, 104, 108)97, 100, 101, 104, 108
Cofactors (cF):gsh

Full PDB list

1b8x, 1bg5, 1dug, 1gne, 1gta, 1gtb, 1m99, 1m9a, 1m9b, 1u87, 1u88, 1ua5, 1y6e, 3crt, 3cru, 3d0z, 4ecb, 4ecc, 4wr4, 4wr5, 5gzz (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2 cF
Q
6
7
Y
1
0
4
R
1
0
8
G
9
7
L
1
0
0
D
1
0
1
Y
1
0
4
R
1
0
8
[1]1gtb.a pzq23 . . . . . . . .
[2]5gzz.b none . . . . . . . . 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

[download in TSV format]
   
PDB.ch
A1 A2 cF
Q
6
7
D
1
0
1
Y
1
0
4
G
1
0
5
S
1
0
7
R
1
0
8
G
9
7
L
1
0
0
D
1
0
1
Y
1
0
4
R
1
0
8
[1]1gtb.a . . . . . . . . . . .
[2]5gzz.b . . . . . * . . . . . 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
1gtb.a:pzq
5gzz.b is apo
[1] 1gtb.a
0.7
-
[2] 5gzz.b 3.6
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 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
1gtb.a
5gzz.b
[1] 1gtb.a
0
.34
[2] 5gzz.b .34
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.2 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
1gtb.a
5gzz.b
[1] 1gtb.a
0
1.0
[2] 5gzz.b 1.0
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
1gtb.a
5gzz.b
[1] 1gtb.a
0
2.4
[2] 5gzz.b 2.4
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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