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ELBP_ECOLX_22_124

Heat-labile enterotoxin B chain

Composition of the binding site

Protein chains homodimer
A1 (ELBP_ECOLX):32:35, 72, 76:79, 82, 109, 111, 11232:35, 72, 76:79, 82, 109, 111, 112
A2 (ELBP_ECOLX):53:5653:56

Full PDB list

1djr, 1eef, 1efi, 1fd7, 1htl, 1jqy, 1lt3, 1lt4, 1lt5, 1lt6, 1lta, 1ltb, 1ltg, 1lti, 1lts, 1ltt, 1pzi, 2xrq, 2xrs, 5lzi (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2
E
3
2
Y
3
3
R
3
4
N
3
5
E
7
2
Q
7
7
H
7
8
I
7
9
Q
8
2
W
1
0
9
N
1
1
1
K
1
1
2
G
5
4
K
5
5
R
5
6
[1]1djr.d gla12 . . . . . . . . . . . . . . .
[1]1djr.f gla.bez21 . . . . . . . . . . . . . . .
[1]1eef.g gla.i0632 . . . . . . . . . . . . . . .
[1]1efi.d gat19 . . . . . . . . . . . . . . .
[1]1fd7.d ai128 . . . . . . . . . . . . . . .
[1]1jqy.d a3233 . . . . . . . . . . . . . . .
[1]1lt5.d tdg23 . . . . . . . . . . . . . . .
[1]1lt6.d gaa21 . . . . . . . . . . . . . . .
[1]1pzi.d 1dm23 . . . . . . . . . . . . . . .
[1]2xrs.d none . . . . . . . . . . . . . . .
[1]5lzi.a 7bq53 . . H . . . . . . . . . . . .
[1]5lzi.b 7db53 . . H . . . . . . . . . . . .

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 A2
E
3
2
Y
3
3
R
3
4
N
3
5
E
7
2
S
7
6
Q
7
7
H
7
8
I
7
9
Q
8
2
W
1
0
9
N
1
1
1
K
1
1
2
A
5
3
G
5
4
K
5
5
R
5
6
[1]1djr.d . . . . . . . . . . . . . . . . .
[1]1djr.f . . . . . . . . . . . . . . . . .
[1]1eef.g . . . . . . . . . . . . . . . . .
[1]1efi.d . . . . . . . . . . . . . . . . .
[1]1fd7.d . . . . . . . . . . . . . . . . .
[1]1jqy.d . . . . . . . . . . . . . . . . .
[1]1lt5.d . . . . . . . . . . . . . . . . .
[1]1lt6.d . . . . . . . . . . . . . . . . .
[1]1pzi.d . . . . . . . . . . . . . . . . .
[1]2xrs.d . . . . . . . . . . . . . . . . .
[1]5lzi.a . . H . . . . . . . . . . . . . .
[1]5lzi.b . . H . . . . . . . . . . . . . .

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
1djr.d:gla
1djr.f:gla.bez
1eef.g:gla.i06
1efi.d:gat
1fd7.d:ai1
1jqy.d:a32
1lt5.d:tdg
1lt6.d:gaa
1pzi.d:1dm
2xrs.d is apo
5lzi.a:7bq
5lzi.b:7db
[1] 1djr.d
0
0.1 0 0 0 0.1 0 0.2 0 - 0.1 0
[1] 1djr.f 0
0
0.1 0 0 0.2 0 0.2 0 - 0 0
[1] 1eef.g 0 0.4
0
0 0 0 0 0.1 0 - 0 0
[1] 1efi.d 0 0.5 0
0
0 0.1 0 0.1 0.1 - 0.1 0
[1] 1fd7.d 0 0.5 0 0
0
0.2 0.1 0.1 0.1 - 0.1 0.1
[1] 1jqy.d 0 0.6 0.2 0 0
0
0 0.2 0 - 0.1 0
[1] 1lt5.d 0 0.3 0.1 0 0 0
0
0 0 - 0 0
[1] 1lt6.d 0 0.4 0.2 0 0 0.1 0
0.1
0 - 0 0
[1] 1pzi.d 0.1 0.5 0 0.1 0 0.2 0.2 0.2
0.2
- 0 0
[1] 2xrs.d 0 0.5 0 0 0 0.1 0 0.1 0
-
0.1 0
[1] 5lzi.a 0 0.7 0.2 0 0 0 0 0 0 -
0
0
[1] 5lzi.b 0 0.5 0.1 0 0 0.1 0 0.1 0 - 0
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
1djr.d
1djr.f
1eef.g
1efi.d
1fd7.d
1jqy.d
1lt5.d
1lt6.d
1pzi.d
2xrs.d
5lzi.a
5lzi.b
[1] 1djr.d
0
.03 .03 .02 .02 .04 .04 .04 .03 .02 .05 .04
[1] 1djr.f .03
0
.05 .04 .04 .06 .04 .05 .05 .04 .06 .05
[1] 1eef.g .03 .05
0
.01 .01 .04 .02 .01 .01 .01 .05 .03
[1] 1efi.d .02 .04 .01
0
0 .04 .02 .02 .01 0 .04 .02
[1] 1fd7.d .02 .04 .01 0
0
.04 .02 .02 .01 0 .04 .02
[1] 1jqy.d .04 .06 .04 .04 .04
0
.05 .04 .04 .04 .03 .05
[1] 1lt5.d .04 .04 .02 .02 .02 .05
0
.02 .03 .02 .03 .02
[1] 1lt6.d .04 .05 .01 .02 .02 .04 .02
0
.02 .02 .05 .03
[1] 1pzi.d .03 .05 .01 .01 .01 .04 .03 .02
0
.01 .05 .03
[1] 2xrs.d .02 .04 .01 0 0 .04 .02 .02 .01
0
.04 .02
[1] 5lzi.a .05 .06 .05 .04 .04 .03 .03 .05 .05 .04
0
.04
[1] 5lzi.b .04 .05 .03 .02 .02 .05 .02 .03 .03 .02 .04
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.8 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
1djr.d
1djr.f
1eef.g
1efi.d
1fd7.d
1jqy.d
1lt5.d
1lt6.d
1pzi.d
2xrs.d
5lzi.a
5lzi.b
[1] 1djr.d
0
0.6 0.3 0.2 0.2 0.2 0.2 0.3 0.2 0.2 0.3 0.3
[1] 1djr.f 0.6
0
0.8 0.7 0.7 0.7 0.7 0.7 0.7 0.7 0.8 0.7
[1] 1eef.g 0.3 0.8
0
0.2 0.2 0.3 0.2 0.3 0.2 0.3 0.3 0.3
[1] 1efi.d 0.2 0.7 0.2
0
0.1 0.2 0.2 0.3 0.1 0.2 0.3 0.2
[1] 1fd7.d 0.2 0.7 0.2 0.1
0
0.2 0.2 0.3 0.1 0.2 0.3 0.2
[1] 1jqy.d 0.2 0.7 0.3 0.2 0.2
0
0.2 0.3 0.2 0.2 0.2 0.2
[1] 1lt5.d 0.2 0.7 0.2 0.2 0.2 0.2
0
0.3 0.2 0.3 0.2 0.2
[1] 1lt6.d 0.3 0.7 0.3 0.3 0.3 0.3 0.3
0
0.3 0.3 0.3 0.3
[1] 1pzi.d 0.2 0.7 0.2 0.1 0.1 0.2 0.2 0.3
0
0.2 0.2 0.2
[1] 2xrs.d 0.2 0.7 0.3 0.2 0.2 0.2 0.3 0.3 0.2
0
0.3 0.3
[1] 5lzi.a 0.3 0.8 0.3 0.3 0.3 0.2 0.2 0.3 0.2 0.3
0
0.2
[1] 5lzi.b 0.3 0.7 0.3 0.2 0.2 0.2 0.2 0.3 0.2 0.3 0.2
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.2 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
1djr.d
1djr.f
1eef.g
1efi.d
1fd7.d
1jqy.d
1lt5.d
1lt6.d
1pzi.d
2xrs.d
5lzi.a
5lzi.b
[1] 1djr.d
0
1.0 1.0 1.1 1.3 1.2 1.1 1.4 1.4 1.1 0.5 0.3
[1] 1djr.f 1.0
0
1.0 1.2 1.1 1.1 1.0 1.5 1.3 1.1 0.9 0.8
[1] 1eef.g 1.0 1.0
0
1.2 1.0 1.0 1.0 1.4 1.1 0.9 0.6 0.5
[1] 1efi.d 1.1 1.2 1.2
0
0.9 0.6 0.6 0.8 0.9 0.6 0.5 0.3
[1] 1fd7.d 1.3 1.1 1.0 0.9
0
0.8 0.8 1.1 0.7 0.7 0.8 0.7
[1] 1jqy.d 1.2 1.1 1.0 0.6 0.8
0
0.6 0.8 0.8 0.5 0.4 0.3
[1] 1lt5.d 1.1 1.0 1.0 0.6 0.8 0.6
0
1.0 0.8 0.6 0.6 0.5
[1] 1lt6.d 1.4 1.5 1.4 0.8 1.1 0.8 1.0
0
0.9 0.9 0.7 0.6
[1] 1pzi.d 1.4 1.3 1.1 0.9 0.7 0.8 0.8 0.9
0
0.7 0.8 0.7
[1] 2xrs.d 1.1 1.1 0.9 0.6 0.7 0.5 0.6 0.9 0.7
0
0.6 0.4
[1] 5lzi.a 0.5 0.9 0.6 0.5 0.8 0.4 0.6 0.7 0.8 0.6
0
0.5
[1] 5lzi.b 0.3 0.8 0.5 0.3 0.7 0.3 0.5 0.6 0.7 0.4 0.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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