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ELIB_PHYCI_1_98

Beta-elicitin cinnamomin [Elicitin family]

Composition of the binding site

Protein chains monomer
A1 (ELIB_PHYCI):11, 12, 15, 16, 18, 19, 24, 33, 35, 36, 42, 47, 50, 59, 60, 63, 75:77, 82, 84, 8711, 12, 15, 16, 18, 19, 24, 33, 35, 36, 42, 47, 50, 59, 60, 63, 75:77, 82, 84, 87

Full PDB list

1ljp, 2a8f, 2aib (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
Y
1
2
L
1
5
V
1
6
F
2
4
Y
3
3
M
3
5
L
3
6
P
4
2
Y
4
7
M
5
0
M
5
9
I
6
0
I
6
3
V
7
5
P
7
6
T
7
7
L
8
2
V
8
4
Y
8
7
[1]2aib.b erg29 . . . . . . . . . . . . . . . . . . .
[2]2a8f.a none . . . . . . . . . . . . . . . . . . .

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
A
1
1
Y
1
2
L
1
5
V
1
6
I
1
8
L
1
9
F
2
4
Y
3
3
M
3
5
L
3
6
P
4
2
Y
4
7
M
5
0
M
5
9
I
6
0
I
6
3
V
7
5
P
7
6
T
7
7
L
8
2
V
8
4
Y
8
7
[1]2aib.b . . . . . . . . . . . . . . . . . . . . . .
[2]2a8f.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
2aib.b:erg
2a8f.a is apo
[1] 2aib.b
0
-
[2] 2a8f.a 9.2
-
[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
2aib.b
2a8f.a
[1] 2aib.b
0
.40
[2] 2a8f.a .40
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.9 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
2aib.b
2a8f.a
[1] 2aib.b
0
0.9
[2] 2a8f.a 0.9
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
2aib.b
2a8f.a
[1] 2aib.b
0
1.8
[2] 2a8f.a 1.8
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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