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DRAA_ECOLX_22_160

Dr hemagglutinin structural subunit [Dr-adhesin family]

Composition of the binding site

Protein chains homodimer [domain annotation]
A1 (DRAA_ECOLX):R: Receptor-binding (49, 51, 61:64)
109, 132, 134:136
49, 51, 61:64, 109, 132, 134:136
A2 (DRAA_ECOLX):R: Receptor-binding (70)70

Full PDB list

1usq, 1ut1, 2jkj, 2jkl, 2jkn, 2w5p (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1 A2
P
6
1
I
6
2
G
6
3
P
6
4
T
1
0
9
I
1
3
2
G
1
3
4
I
1
3
5
Y
1
3
6
L
7
0
[1]1usq.a clm20 . . . . . . . . . .
[1]1ut1.a none . . . . . . . . . -
[1]2jkl.a brx,clm40 . . . . . . . . . .
[1]2w5p.a cl86 . . . . . . . . . .

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 A2
V
4
9
K
5
1
P
6
1
I
6
2
G
6
3
P
6
4
T
1
0
9
I
1
3
2
G
1
3
4
I
1
3
5
Y
1
3
6
L
7
0
[1]1usq.a . . . . . . . . . . . .
[1]1ut1.a . . . . . . . . . . . -
[1]2jkl.a . . . . . . . . . . . .
[1]2w5p.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
1usq.a:clm
1ut1.a is apo
2jkl.a:brx,clm
2w5p.a:cl8
[1] 1usq.a
0
- 0 0
[1] 1ut1.a 0
-
0 0
[1] 2jkl.a 0 -
0
0
[1] 2w5p.a 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
1usq.a
1ut1.a
2jkl.a
2w5p.a
[1] 1usq.a
0
0 0 0
[1] 1ut1.a 0
0
0 0
[1] 2jkl.a 0 0
0
0
[1] 2w5p.a 0 0 0
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.5 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
1usq.a
1ut1.a
2jkl.a
2w5p.a
[1] 1usq.a
0
0.3 0.1 0.7
[1] 1ut1.a 0.3
0
0.3 0.8
[1] 2jkl.a 0.1 0.3
0
0.7
[1] 2w5p.a 0.7 0.8 0.7
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

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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
1usq.a
1ut1.a
2jkl.a
2w5p.a
[1] 1usq.a
0
0.6 0.1 0.8
[1] 1ut1.a 0.6
0
0.5 1.0
[1] 2jkl.a 0.1 0.5
0
0.8
[1] 2w5p.a 0.8 1.0 0.8
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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