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ADH1A_HUMAN_2_375

Alcohol dehydrogenase 1A [Zinc-containing alcohol dehydrogenase family]

Composition of the binding site

Protein chains homodimer
A1 (ADH1A_HUMAN):47, 49, 58, 68, 94, 95, 117, 142, 175, 295, 319, 32047, 49, 58, 68, 94, 95, 117, 142, 175, 295, 319, 320
A2 (ADH1A_HUMAN):307, 310307, 310
Cofactors (cF):nad
Metals (Me):Zn

Full PDB list

1hso, 1u3t

Pocket contact map

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PDB.ch
   
ligand
A1 A2 cF Me
T
4
9
M
5
8
H
6
8
A
9
4
I
9
5
V
1
1
7
L
1
4
2
C
1
7
5
V
2
9
5
I
3
1
9
L
3
2
0
M
3
0
7
[1]1hso.a pyz6 . . . . . . . . . . . . nad Zn
[1]1u3t.a ccb12 . . . . . . . . . . . . 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

[download in TSV format]
   
PDB.ch
A1 A2 cF Me
C
4
7
T
4
9
M
5
8
H
6
8
A
9
4
I
9
5
V
1
1
7
L
1
4
2
C
1
7
5
V
2
9
5
I
3
1
9
L
3
2
0
M
3
0
7
L
3
1
0
[1]1hso.a . . . . . . . . . . . . . . nad Zn
[1]1u3t.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
1hso.a:pyz
1u3t.a:ccb
[1] 1hso.a
0.1
0.5
[1] 1u3t.a 0.2
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
1hso.a
1u3t.a
[1] 1hso.a
0
.04
[1] 1u3t.a .04
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
1hso.a
1u3t.a
[1] 1hso.a
0
0.2
[1] 1u3t.a 0.2
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
1hso.a
1u3t.a
[1] 1hso.a
0
0.7
[1] 1u3t.a 0.7
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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