If you see this message after the page is completely loaded, then JavaScript is not supported or disabled in your browser. Please consider enabling JavaScript for this site.

I4OMT_MEDTR_8_364

Isoflavone 4'-O-methyltransferase [Class I-like SAM-binding methyltransferase superfamily. Cation-independent O- methyltransferase family. COMT subfamily]

Composition of the binding site

Protein chains monomer
A1 (I4OMT_MEDTR):122, 125, 126, 130, 131, 159, 174, 175, 178, 179, 182, 318, 321, 322, 325, 326122, 125, 126, 130, 131, 159, 174, 175, 178, 179, 182, 318, 321, 322, 325, 326
Cofactors (cF):sah

Full PDB list

1zg3, 1zga, 1zgj, 1zhf

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF
I
1
2
2
G
1
2
5
A
1
2
6
S
1
3
0
S
1
3
1
F
1
5
9
M
1
7
4
F
1
7
5
A
1
7
8
M
1
7
9
D
1
8
2
Y
3
1
8
V
3
2
1
M
3
2
2
M
3
2
5
F
3
2
6
[1]1zg3.a 2hi20 . . . . . . . . . . . . . . . . sah
[1]1zga.a hmk22 . . . . . . . . . . . . . . . . sah
[1]1zgj.a p1s23 . . . . . . . . . . . . . . . . sah
[1]1zhf.a none . . . . . . . . . . . . . . . . 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

[download in TSV format]
   
PDB.ch
A1 cF
I
1
2
2
G
1
2
5
A
1
2
6
S
1
3
0
S
1
3
1
F
1
5
9
M
1
7
4
F
1
7
5
A
1
7
8
M
1
7
9
D
1
8
2
Y
3
1
8
V
3
2
1
M
3
2
2
M
3
2
5
F
3
2
6
[1]1zg3.a . . . . . . . . . . . . . . . . sah
[1]1zga.a . . . . . . . . . . . . . . . . sah
[1]1zgj.a . . . . . . . . . . . . . . . . sah
[1]1zhf.a . . . . . . . * . . . . . . . . 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

zoom: [−] [+]; [view as image]; [download as text]

pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
1zg3.a:2hi
1zga.a:hmk
1zgj.a:p1s
1zhf.a is apo
[1] 1zg3.a
0
0.2 0 -
[1] 1zga.a 0.2
0
0 -
[1] 1zgj.a 0.2 0
0
-
[1] 1zhf.a 2.3 3.1 3.3
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
1zg3.a
1zga.a
1zgj.a
1zhf.a
[1] 1zg3.a
0
.03 .03 .23
[1] 1zga.a .03
0
0 .21
[1] 1zgj.a .03 0
0
.21
[1] 1zhf.a .23 .21 .21
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.8 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone atoms

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1zg3.a
1zga.a
1zgj.a
1zhf.a
[1] 1zg3.a
0
0.3 0.3 0.4
[1] 1zga.a 0.3
0
0.2 0.3
[1] 1zgj.a 0.3 0.2
0
0.2
[1] 1zhf.a 0.4 0.3 0.2
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.3 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue atoms

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1zg3.a
1zga.a
1zgj.a
1zhf.a
[1] 1zg3.a
0
0.8 0.6 1.2
[1] 1zga.a 0.8
0
0.8 1.1
[1] 1zgj.a 0.6 0.8
0
1.2
[1] 1zhf.a 1.2 1.1 1.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

L C X E | Background Color: | Anaglyph Stereo:

loading...