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F17AG_ECOLX_23_199

F17a-G fimbrial adhesin [Fimbrial protein family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (F17AG_ECOLX):R: Receptor-binding lectin domain (65, 66, 110, 111, 128, 131, 139:142)
R: Carbohydrate binding (65, 66)
R: Carbohydrate binding (110, 111)
R: Carbohydrate binding (139:142)
65, 66, 110, 111, 128, 131, 139:142

Full PDB list

1o9v, 1o9w, 1o9z, 1zpl, 2bsc, 3f64, 3f6j (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
A
6
5
N
6
6
D
1
1
0
T
1
1
1
F
1
2
8
W
1
3
1
S
1
3
9
T
1
4
0
Q
1
4
1
G
1
4
2
[1]1o9v.a sng16 . . . . . . . . . .
[1]1zpl.a mag16 . . . . . . . . . .
[1]2bsc.a none . . . . . . . . . .
[1]3f64.a lec24 . . . . . . . . . .
[1]3f6j.a nag.mbg27 . . . . . . . . . .

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
A
6
5
N
6
6
D
1
1
0
T
1
1
1
F
1
2
8
W
1
3
1
S
1
3
9
T
1
4
0
Q
1
4
1
G
1
4
2
[1]1o9v.a . . . . . . . . . .
[1]1zpl.a . . . . . . . . . .
[1]2bsc.a . . . . . . . . . .
[1]3f64.a . . . . . . . . . .
[1]3f6j.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
1o9v.a:sng
1zpl.a:mag
2bsc.a is apo
3f64.a:lec
3f6j.a:nag.mbg
[1] 1o9v.a
0
0.1 - 0 0.2
[1] 1zpl.a 0
0
- 0 0.1
[1] 2bsc.a 0 0
-
0 0.1
[1] 3f64.a 0 0 -
0
0.1
[1] 3f6j.a 0.1 0 - 0
0.1
[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
1o9v.a
1zpl.a
2bsc.a
3f64.a
3f6j.a
[1] 1o9v.a
0
.01 .01 .01 .02
[1] 1zpl.a .01
0
0 0 .01
[1] 2bsc.a .01 0
0
0 .01
[1] 3f64.a .01 0 0
0
.01
[1] 3f6j.a .02 .01 .01 .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.2 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
1o9v.a
1zpl.a
2bsc.a
3f64.a
3f6j.a
[1] 1o9v.a
0
0.2 0.1 0.2 0.2
[1] 1zpl.a 0.2
0
0.2 0.1 0.1
[1] 2bsc.a 0.1 0.2
0
0.1 0.2
[1] 3f64.a 0.2 0.1 0.1
0
0.1
[1] 3f6j.a 0.2 0.1 0.2 0.1
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

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
1o9v.a
1zpl.a
2bsc.a
3f64.a
3f6j.a
[1] 1o9v.a
0
0.2 0.4 0.2 0.2
[1] 1zpl.a 0.2
0
0.4 0.1 0.1
[1] 2bsc.a 0.4 0.4
0
0.4 0.4
[1] 3f64.a 0.2 0.1 0.4
0
0.1
[1] 3f6j.a 0.2 0.1 0.4 0.1
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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