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URE2_YEAST_95_354

Transcriptional regulator URE2 [GST superfamily]

Composition of the binding site

Protein chains homodimer [domain annotation]
A1 (URE2_YEAST):D: GST N-terminal (121:124, 146, 151, 164:166, 179:181)
R: Glutathione binding (164, 165)
R: Glutathione binding (180, 181)
D: GST C-terminal (231, 316, 319, 322)
121:124, 146, 151, 164:166, 179:181, 231, 316, 319, 322
A2 (URE2_YEAST):D: GST C-terminal (221)221

Full PDB list

1g6w, 1g6y, 1hqo, 1jzr, 1k0a, 1k0b, 1k0c, 1k0d (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2
S
1
2
1
A
1
2
2
P
1
2
3
N
1
2
4
F
1
4
6
H
1
5
1
R
1
6
4
V
1
6
5
P
1
6
6
E
1
8
0
S
1
8
1
L
2
3
1
W
3
1
6
V
3
1
9
R
3
2
2
S
2
2
1
[1]1k0a.a gtx26 . . . . . . . . . . . . . . . .
[1]1k0b.a gsh20 . . . . . . . . . . . . . . . .
[1]1k0b.b none . . . . . . . . . . . . . . . .
[1]1k0c.a gtb30 . . . . . . . . . . . . . . . .

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 A2
S
1
2
1
A
1
2
2
P
1
2
3
N
1
2
4
F
1
4
6
H
1
5
1
R
1
6
4
V
1
6
5
P
1
6
6
W
1
7
9
E
1
8
0
S
1
8
1
L
2
3
1
W
3
1
6
V
3
1
9
R
3
2
2
S
2
2
1
[1]1k0a.a . . . . . . . . . . . . . . . . .
[1]1k0b.a . . . . . . . . . . . . . . . . .
[1]1k0b.b . . . . . . . . . . . . . . . . .
[1]1k0c.a . . . . . . . . . . . . . . . . .

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
1k0a.a:gtx
1k0b.a:gsh
1k0b.b is apo
1k0c.a:gtb
[1] 1k0a.a
0
0 - 0.1
[1] 1k0b.a 0.3
0
- 0.1
[1] 1k0b.b 0.2 0
-
0.1
[1] 1k0c.a 0.3 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
1k0a.a
1k0b.a
1k0b.b
1k0c.a
[1] 1k0a.a
0
.03 .02 .04
[1] 1k0b.a .03
0
.02 .02
[1] 1k0b.b .02 .02
0
.02
[1] 1k0c.a .04 .02 .02
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
1k0a.a
1k0b.a
1k0b.b
1k0c.a
[1] 1k0a.a
0
0.7 0.6 0.5
[1] 1k0b.a 0.7
0
0.7 0.6
[1] 1k0b.b 0.6 0.7
0
0.7
[1] 1k0c.a 0.5 0.6 0.7
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.6 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
1k0a.a
1k0b.a
1k0b.b
1k0c.a
[1] 1k0a.a
0
1.3 0.8 1.2
[1] 1k0b.a 1.3
0
1.2 0.8
[1] 1k0b.b 0.8 1.2
0
1.2
[1] 1k0c.a 1.2 0.8 1.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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