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ALL2_AEDAE_19_321_norepinephrine

37 kDa salivary gland allergen Aed a 2

Composition of the binding site

Protein chains monomer
A1 (ALL2_AEDAE):172, 176, 193, 194, 196, 207, 266, 282, 283, 286172, 176, 193, 194, 196, 207, 266, 282, 283, 286

Full PDB list

3dxl, 3dy9, 3dye, 3dzt (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1
F
1
7
2
E
1
7
6
I
1
9
3
R
1
9
4
Y
1
9
6
H
2
0
7
Y
2
6
6
F
2
8
2
D
2
8
3
E
2
8
6
[1]3dxl.a none . . . . . . . . . .
[1]3dye.a lnr12 . . . . . . . . . .

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
F
1
7
2
E
1
7
6
I
1
9
3
R
1
9
4
Y
1
9
6
H
2
0
7
Y
2
6
6
F
2
8
2
D
2
8
3
E
2
8
6
[1]3dxl.a . . . . . . . . . .
[1]3dye.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
3dxl.a is apo
3dye.a:lnr
[1] 3dxl.a
-
0
[1] 3dye.a -
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
3dxl.a
3dye.a
[1] 3dxl.a
0
.01
[1] 3dye.a .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
3dxl.a
3dye.a
[1] 3dxl.a
0
0.1
[1] 3dye.a 0.1
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.1 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
3dxl.a
3dye.a
[1] 3dxl.a
0
0.9
[1] 3dye.a 0.9
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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