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DHSO_HUMAN_6_357

Sorbitol dehydrogenase [Zinc-containing alcohol dehydrogenase family]

Composition of the binding site

Protein chains monomer
A1 (DHSO_HUMAN):45, 47, 51, 57, 60, 70, 119, 122, 156, 275, 298, 29945, 47, 51, 57, 60, 70, 119, 122, 156, 275, 298, 299
Cofactors (cF):nad
Metals (Me):Zn

Full PDB list

1pl6, 1pl7, 1pl8 (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1 cF Me
C
4
5
S
4
7
Y
5
1
I
5
7
F
6
0
H
7
0
F
1
1
9
T
1
2
2
E
1
5
6
L
2
7
5
F
2
9
8
R
2
9
9
[1]1pl6.a 57220 . . . . . . . . . . . . nad Zn
[1]1pl8.a none . . . . . . . . . . . . nad Zn

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 cF Me
C
4
5
S
4
7
Y
5
1
I
5
7
F
6
0
H
7
0
F
1
1
9
T
1
2
2
E
1
5
6
L
2
7
5
F
2
9
8
R
2
9
9
[1]1pl6.a . . . . . . . . . . . . nad Zn
[1]1pl8.a . . . . . . . . . . . . nad Zn

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
1pl6.a:572
1pl8.a is apo
[1] 1pl6.a
0.1
-
[1] 1pl8.a 0.5
-
[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
1pl6.a
1pl8.a
[1] 1pl6.a
0
.03
[1] 1pl8.a .03
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
1pl6.a
1pl8.a
[1] 1pl6.a
0
0.3
[1] 1pl8.a 0.3
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

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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
1pl6.a
1pl8.a
[1] 1pl6.a
0
0.4
[1] 1pl8.a 0.4
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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