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ENO_CHLAA_1_426

Enolase [Enolase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ENO_CHLAA):R: Substrate binding (365:368)
41, 42, 44, 165, 206, 313, 336, 338, 389
41, 42, 44, 165, 206, 313, 336, 338, 365:368, 389
Metals (Me):Mg

Full PDB list

4yws, 4z17, 4z1y

Pocket contact map

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PDB.ch
   
ligand
A1 Me
G
4
1
A
4
2
E
2
0
6
D
3
1
3
L
3
3
6
K
3
3
8
S
3
6
5
H
3
6
6
R
3
6
7
S
3
6
8
K
3
8
9
[1]4yws.b none . - . . . . . . . . . Mg
[1]4z17.a pep10 . . . . . . . . . . . Mg
[1]4z1y.b 2pg11 . . . . . . . . . . . Mg

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 Me
G
4
1
A
4
2
T
4
4
E
1
6
5
E
2
0
6
D
3
1
3
L
3
3
6
K
3
3
8
S
3
6
5
H
3
6
6
R
3
6
7
S
3
6
8
K
3
8
9
[1]4yws.b . - - . . . . . . . * . . Mg
[1]4z17.a . . . . . . . . . . . . . Mg
[1]4z1y.b . . . . . . . . . . . . . Mg

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
4yws.b is apo
4z17.a:pep
4z1y.b:2pg
[1] 4yws.b
-
1.1 0.8
[1] 4z17.a -
0
0.4
[1] 4z1y.b - 0.5
0.3
[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
4yws.b
4z17.a
4z1y.b
[1] 4yws.b
0
.11 .06
[1] 4z17.a .11
0
.06
[1] 4z1y.b .06 .06
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.8 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
4yws.b
4z17.a
4z1y.b
[1] 4yws.b
0
2.1 1.7
[1] 4z17.a 2.1
0
1.9
[1] 4z1y.b 1.7 1.9
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.7 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
4yws.b
4z17.a
4z1y.b
[1] 4yws.b
0
2.3 2.0
[1] 4z17.a 2.3
0
1.9
[1] 4z1y.b 2.0 1.9
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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