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7OMT8_MEDSA_1_352

Isoflavone-7-O-methyltransferase 8 [Class I-like SAM-binding methyltransferase superfamily. Cation-independent O- methyltransferase family. COMT subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (7OMT8_MEDSA):R: Substrate binding (118, 123, 124, 127)
142, 164, 168, 254, 257, 258, 310, 311, 313
118, 123, 124, 127, 142, 164, 168, 254, 257, 258, 310, 311, 313

Full PDB list

1fp2, 1fpx

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
V
1
1
8
L
1
2
3
S
1
2
4
Y
1
2
7
F
1
4
2
F
1
6
4
M
1
6
8
Y
2
5
4
H
2
5
7
N
2
5
8
N
3
1
0
C
3
1
3
[1]1fp2.a hmo20 . . . . . . . . . . . .
[1]1fpx.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
V
1
1
8
L
1
2
3
S
1
2
4
Y
1
2
7
F
1
4
2
F
1
6
4
M
1
6
8
Y
2
5
4
H
2
5
7
N
2
5
8
N
3
1
0
M
3
1
1
C
3
1
3
[1]1fp2.a . . . . . . . . . . . . .
[1]1fpx.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
1fp2.a:hmo
1fpx.a is apo
[1] 1fp2.a
0
-
[1] 1fpx.a 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
1fp2.a
1fpx.a
[1] 1fp2.a
0
.01
[1] 1fpx.a .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.1 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
1fp2.a
1fpx.a
[1] 1fp2.a
0
0.1
[1] 1fpx.a 0.1
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
1fp2.a
1fpx.a
[1] 1fp2.a
0
0.2
[1] 1fpx.a 0.2
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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