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SABP2_TOBAC_1_260

Salicylic acid-binding protein 2 [AB hydrolase superfamily. Methylesterase family]

Composition of the binding site

Protein chains monomer
A1 (SABP2_TOBAC):12, 13, 80:82, 107, 122, 131, 149, 151, 155, 160, 181, 212, 213, 23812, 13, 80:82, 107, 122, 131, 149, 151, 155, 160, 181, 212, 213, 238

Full PDB list

1xkl, 1y7h, 1y7i

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
G
1
2
A
1
3
S
8
1
L
8
2
F
1
0
7
Y
1
2
2
W
1
3
1
F
1
5
1
F
1
5
5
L
1
6
0
L
1
8
1
G
2
1
2
I
2
1
3
H
2
3
8
[1]1xkl.a sth12 . . * . . . . . . . . . . .
[1]1y7h.b none . . . . . . . . . . . . . .
[1]1y7i.b sal10 . . . . . . . . . . . . . .

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
G
1
2
A
1
3
H
8
0
S
8
1
L
8
2
F
1
0
7
Y
1
2
2
W
1
3
1
M
1
4
9
F
1
5
1
F
1
5
5
L
1
6
0
L
1
8
1
G
2
1
2
I
2
1
3
H
2
3
8
[1]1xkl.a . . . * . . . . * . . . . . . .
[1]1y7h.b . . . * . . . . * . . . . . . .
[1]1y7i.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
1xkl.a:sth
1y7h.b is apo
1y7i.b:sal
[1] 1xkl.a
0.6
- 0.3
[1] 1y7h.b 0.8
-
0.4
[1] 1y7i.b 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
1xkl.a
1y7h.b
1y7i.b
[1] 1xkl.a
0
.01 .03
[1] 1y7h.b .01
0
.04
[1] 1y7i.b .03 .04
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.3 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
1xkl.a
1y7h.b
1y7i.b
[1] 1xkl.a
0
0.3 0.2
[1] 1y7h.b 0.3
0
0.3
[1] 1y7i.b 0.2 0.3
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.3 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
1xkl.a
1y7h.b
1y7i.b
[1] 1xkl.a
0
0.3 0.3
[1] 1y7h.b 0.3
0
0.4
[1] 1y7i.b 0.3 0.4
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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