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CAIT_ECOLI_1_504

L-carnitine/gamma-butyrobetaine antiporter [BCCT transporter (TC 2.A.15) family. CaiT subfamily]

Composition of the binding site

Protein chains monomer
A1 (CAIT_ECOLI):101, 104, 107, 142, 147, 150, 323, 324, 327, 331101, 104, 107, 142, 147, 150, 323, 324, 327, 331

Full PDB list

2wsx, 3hfx

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
S
1
0
1
V
1
0
4
W
1
0
7
W
1
4
2
W
3
2
3
W
3
2
4
Y
3
2
7
M
3
3
1
[1]2wsx.a nm210 . . . . . . . .
[1]3hfx.a 15211 . . . . . . . .

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
S
1
0
1
V
1
0
4
W
1
0
7
W
1
4
2
W
1
4
7
Y
1
5
0
W
3
2
3
W
3
2
4
Y
3
2
7
M
3
3
1
[1]2wsx.a . . . . . . . . . .
[1]3hfx.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
2wsx.a:nm2
3hfx.a:152
[1] 2wsx.a
0.2
0
[1] 3hfx.a 0.6
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
2wsx.a
3hfx.a
[1] 2wsx.a
0
.06
[1] 3hfx.a .06
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
2wsx.a
3hfx.a
[1] 2wsx.a
0
0.6
[1] 3hfx.a 0.6
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.3 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue atoms

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
2wsx.a
3hfx.a
[1] 2wsx.a
0
0.8
[1] 3hfx.a 0.8
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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