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CLPP_ECOLI_12_207

ATP-dependent Clp protease proteolytic subunit [Peptidase S14 family]

Composition of the binding site

Protein chains monomer
A1 (CLPP_ECOLI):81:84, 111, 112, 115, 136:140, 155, 156, 159, 163, 16781:84, 111, 112, 115, 136:140, 155, 156, 159, 163, 167

Full PDB list

1tyf, 1yg6, 2fzs (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1
G
8
1
G
8
2
V
8
3
I
8
4
S
1
1
1
M
1
1
2
H
1
3
6
P
1
3
8
L
1
3
9
E
1
5
5
I
1
5
6
V
1
5
9
M
1
6
3
[1]1tyf.b none . . . . . . . . . . . . .
[1]2fzs.a cmq31 . . . . * . * . . . . . .

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
G
8
1
G
8
2
V
8
3
I
8
4
S
1
1
1
M
1
1
2
F
1
1
5
H
1
3
6
Q
1
3
7
P
1
3
8
L
1
3
9
G
1
4
0
E
1
5
5
I
1
5
6
V
1
5
9
M
1
6
3
M
1
6
7
[1]1tyf.b . . . . . . . . . . . . . . . . .
[1]2fzs.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
1tyf.b is apo
2fzs.a:cmq
[1] 1tyf.b
-
1.5
[1] 2fzs.a -
1.3
[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
1tyf.b
2fzs.a
[1] 1tyf.b
0
.06
[1] 2fzs.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
1tyf.b
2fzs.a
[1] 1tyf.b
0
0.4
[1] 2fzs.a 0.4
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
1tyf.b
2fzs.a
[1] 1tyf.b
0
0.8
[1] 2fzs.a 0.8
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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