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ENO_STAAU_1_434

Enolase [Enolase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ENO_STAAU):R: Substrate binding (371:373)
40:42, 166, 207, 244, 318, 343, 394
40:42, 166, 207, 244, 318, 343, 371:373, 394
Metals (Me):Mg

Full PDB list

5boe, 5bof

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
G
4
0
A
4
1
S
4
2
D
3
1
8
K
3
4
3
H
3
7
1
R
3
7
2
S
3
7
3
K
3
9
4
[1]5boe.a pep10 . . . . . . . . . Mg
[1]5bof.a none . . . . . . . . . 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

[download in TSV format]
   
PDB.ch
A1 Me
G
4
0
A
4
1
S
4
2
E
1
6
6
E
2
0
7
D
2
4
4
D
3
1
8
K
3
4
3
H
3
7
1
R
3
7
2
S
3
7
3
K
3
9
4
[1]5boe.a . . . . . . . . . . . . Mg
[1]5bof.a . . . . . . . . . . . . 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
5boe.a:pep
5bof.a is apo
[1] 5boe.a
0
-
[1] 5bof.a 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
5boe.a
5bof.a
[1] 5boe.a
0
.01
[1] 5bof.a .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.6 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
5boe.a
5bof.a
[1] 5boe.a
0
3.7
[1] 5bof.a 3.7
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.8 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
5boe.a
5bof.a
[1] 5boe.a
0
3.3
[1] 5bof.a 3.3
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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