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TPMT_MOUSE_2_240

Thiopurine S-methyltransferase [Class I-like SAM-binding methyltransferase superfamily. TPMT family]

Composition of the binding site

Protein chains monomer
A1 (TPMT_MOUSE):147, 148, 151, 152, 180, 190, 191, 221, 22524, 35, 147, 148, 151, 152, 180, 190, 191, 221, 225
Cofactors (cF):sah

Full PDB list

2gb4, 3bgd, 3bgi (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1 cF
W
2
4
F
3
5
R
1
4
7
G
1
4
8
V
1
5
1
A
1
5
2
P
1
9
0
P
1
9
1
R
2
2
1
W
2
2
5
[1]2gb4.a none . . . . . . . . . . sah
[1]3bgd.b pm610 . . . . . . . . . . sah

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
W
2
4
F
3
5
R
1
4
7
G
1
4
8
V
1
5
1
A
1
5
2
L
1
8
0
P
1
9
0
P
1
9
1
R
2
2
1
W
2
2
5
[1]2gb4.a . . . . . . . . . . . sah
[1]3bgd.b . . . . . . . . . . . sah

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
2gb4.a is apo
3bgd.b:pm6
[1] 2gb4.a
-
0
[1] 3bgd.b -
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
2gb4.a
3bgd.b
[1] 2gb4.a
0
0
[1] 3bgd.b 0
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
2gb4.a
3bgd.b
[1] 2gb4.a
0
0.5
[1] 3bgd.b 0.5
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
2gb4.a
3bgd.b
[1] 2gb4.a
0
0.8
[1] 3bgd.b 0.8
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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