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ELIC_DICCH_5_319

Cys-loop ligand-gated ion channel [Ligand-gated ion channel (TC 1.A.9) family]

Composition of the binding site

Protein chains homodimer
A1 (ELIC_DICCH):77, 79, 131:133, 174, 176:180, 18777, 79, 131:133, 174, 176:180, 187
A2 (ELIC_DICCH):19, 38, 40, 91, 93, 101, 103, 15019, 38, 40, 91, 93, 101, 103, 150

Full PDB list

2vl0, 2yks, 2yn6, 3rqu, 3rqw, 3uq4, 4a97, 4twd, 4z90, 4z91, 5hej, 5heo, 5heu, 5sxu, 5sxv (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2
E
7
7
I
7
9
E
1
3
1
P
1
3
2
F
1
3
3
Y
1
7
4
H
1
7
6
L
1
7
7
V
1
8
0
F
1
8
7
F
1
9
Y
3
8
R
9
1
I
1
0
1
N
1
0
3
E
1
5
0
[1]3rqu.a none . . . . . . . . . . . . . . . .
[1]3rqw.a ach10 . . . . . . . . . . . . . . . .
[1]4a97.b zpc27 . . . . . . . . . . . . . . . .
[1]4twd.c 37713 . . . . . . . . . . . . . . . .
[1]4z91.c 4lj1 . . . . . . . . . . . . . . . .

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
7
7
I
7
9
E
1
3
1
P
1
3
2
F
1
3
3
Y
1
7
4
H
1
7
6
L
1
7
7
S
1
7
8
S
1
7
9
V
1
8
0
F
1
8
7
F
1
9
Y
3
8
V
4
0
R
9
1
M
9
3
I
1
0
1
N
1
0
3
E
1
5
0
[1]3rqu.a . . . . . . . . * . . . . . . . . . . .
[1]3rqw.a . . . . . . . * . . . . . . . . . . . .
[1]4a97.b . . . . . . . . . . . . . . . . . . . .
[1]4twd.c . . . . . . . . * . . . . . . . . . . .
[1]4z91.c . . . . . . . . . . . . . . . . . . . .

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
3rqu.a is apo
3rqw.a:ach
4a97.b:zpc
4twd.c:377
4z91.c:4lj
[1] 3rqu.a
-
0.2 2.1 0 0
[1] 3rqw.a -
0
3.8 0.6 0
[1] 4a97.b - 0.3
0
0.3 0
[1] 4twd.c - 0 3.1
0
0
[1] 4z91.c - 0 0.2 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
3rqu.a
3rqw.a
4a97.b
4twd.c
4z91.c
[1] 3rqu.a
0
.20 .11 .06 .10
[1] 3rqw.a .20
0
.20 .16 .18
[1] 4a97.b .11 .20
0
.17 .03
[1] 4twd.c .06 .16 .17
0
.15
[1] 4z91.c .10 .18 .03 .15
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 2.3 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
3rqu.a
3rqw.a
4a97.b
4twd.c
4z91.c
[1] 3rqu.a
0
1.9 2.4 2.0 1.8
[1] 3rqw.a 1.9
0
2.9 2.9 2.3
[1] 4a97.b 2.4 2.9
0
1.9 1.7
[1] 4twd.c 2.0 2.9 1.9
0
1.3
[1] 4z91.c 1.8 2.3 1.7 1.3
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.9 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
3rqu.a
3rqw.a
4a97.b
4twd.c
4z91.c
[1] 3rqu.a
0
2.0 3.2 2.6 2.3
[1] 3rqw.a 2.0
0
3.6 3.4 2.5
[1] 4a97.b 3.2 3.6
0
2.1 2.5
[1] 4twd.c 2.6 3.4 2.1
0
1.9
[1] 4z91.c 2.3 2.5 2.5 1.9
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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