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BEV1J_BETPN_2_160

Major pollen allergen Bet v 1-J [BetVI family]

Composition of the binding site

Protein chains monomer
A1 (BEV1J_BETPN):6, 8, 10, 23, 24, 84, 103, 117, 119, 134, 137, 138, 141, 1426, 8, 10, 23, 24, 84, 103, 117, 119, 134, 137, 138, 141, 142

Full PDB list

4a8u, 4a8v

Pocket contact map

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PDB.ch
   
ligand
A1
Y
6
T
8
A
1
0
F
2
3
I
2
4
Y
8
4
I
1
0
3
I
1
1
7
N
1
1
9
I
1
3
4
S
1
3
7
K
1
3
8
G
1
4
1
E
1
4
2
[1]4a8u.a mrd8 . . . . . . . . . . . . . .
[1]4a8v.a 2an21 . . . . . . . . . . . . . .

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
Y
6
T
8
A
1
0
F
2
3
I
2
4
Y
8
4
I
1
0
3
I
1
1
7
N
1
1
9
I
1
3
4
S
1
3
7
K
1
3
8
G
1
4
1
E
1
4
2
[1]4a8u.a . . . . . . . . . . . . . .
[1]4a8v.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
4a8u.a:mrd
4a8v.a:2an
[1] 4a8u.a
0.1
1.2
[1] 4a8v.a 0.1
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
4a8u.a
4a8v.a
[1] 4a8u.a
0
.09
[1] 4a8v.a .09
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.5 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
4a8u.a
4a8v.a
[1] 4a8u.a
0
0.2
[1] 4a8v.a 0.2
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
4a8u.a
4a8v.a
[1] 4a8u.a
0
1.0
[1] 4a8v.a 1.0
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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