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ASMT_HUMAN_1_345

Acetylserotonin O-methyltransferase [Class I-like SAM-binding methyltransferase superfamily. Cation-independent O- methyltransferase family]

Composition of the binding site

Protein chains monomer
A1 (ASMT_HUMAN):105, 108, 156, 160, 252, 255, 256, 299, 302, 303, 306, 307, 338105, 108, 156, 160, 252, 255, 256, 299, 302, 303, 306, 307, 338
Cofactors (cF):sam

Full PDB list

4a6d, 4a6e

Pocket contact map

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PDB.ch
   
ligand
A1 cF
M
1
0
5
Y
1
0
8
F
1
5
6
L
1
6
0
R
2
5
2
H
2
5
5
D
2
5
6
Y
2
9
9
N
3
0
2
M
3
0
3
Q
3
0
6
T
3
0
7
Y
3
3
8
[1]4a6d.a none . . . . . . . . . . . . . sam
[1]4a6e.a ase16 . . . . . . . . . . . . . sam

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
M
1
0
5
Y
1
0
8
F
1
5
6
L
1
6
0
R
2
5
2
H
2
5
5
D
2
5
6
Y
2
9
9
N
3
0
2
M
3
0
3
Q
3
0
6
T
3
0
7
Y
3
3
8
[1]4a6d.a . . . . . . . . . . . . . sam
[1]4a6e.a . . . . . . . . . . . . . sam

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
4a6d.a is apo
4a6e.a:ase
[1] 4a6d.a
-
0.1
[1] 4a6e.a -
0
[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
4a6d.a
4a6e.a
[1] 4a6d.a
0
.01
[1] 4a6e.a .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.3 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
4a6d.a
4a6e.a
[1] 4a6d.a
0
0.4
[1] 4a6e.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
4a6d.a
4a6e.a
[1] 4a6d.a
0
0.6
[1] 4a6e.a 0.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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