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TCMN_STRGA_2_166

Multifunctional cyclase-dehydratase-3-O-methyl transferase TcmN [Class I-like SAM-binding methyltransferase superfamily. Cation-independent O- methyltransferase family]

Composition of the binding site

Protein chains monomer
A1 (TCMN_STRGA):57, 61, 63, 65, 82, 87, 88, 120, 124, 125, 12857, 61, 63, 65, 82, 87, 88, 120, 124, 125, 128

Full PDB list

2rer, 2res, 2rez, 3tvq (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
D
5
7
W
6
3
W
6
5
R
8
2
P
8
7
F
8
8
F
1
2
0
H
1
2
4
M
1
2
5
H
1
2
8
[1]3tvq.a dqh22 . . . . . . . . . .
[2]2rez.a none . . . . . . . . . .

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
D
5
7
R
6
1
W
6
3
W
6
5
R
8
2
P
8
7
F
8
8
F
1
2
0
H
1
2
4
M
1
2
5
H
1
2
8
[1]3tvq.a . . . . . . . . . . .
[2]2rez.a . . * . . . . * . . .

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
3tvq.a:dqh
2rez.a is apo
[1] 3tvq.a
0.2
-
[2] 2rez.a 8.0
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 clusters)

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
3tvq.a
2rez.a
[1] 3tvq.a
0
.75
[2] 2rez.a .75
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.2 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
3tvq.a
2rez.a
[1] 3tvq.a
0
1.5
[2] 2rez.a 1.5
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.8 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
3tvq.a
2rez.a
[1] 3tvq.a
0
2.4
[2] 2rez.a 2.4
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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