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EGTB_MYCT3_2_446

Hercynine oxygenase [EgtB family]

Composition of the binding site

Protein chains monomer
A1 (EGTB_MYCT3):134, 137, 138, 377, 380, 414, 415134, 137, 138, 377, 380, 414, 415
Metals (Me):Ca/Fe/Mn

Full PDB list

4x8b, 4x8d, 4x8e

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
H
1
3
4
Q
1
3
7
H
1
3
8
Y
3
7
7
Y
3
8
0
N
4
1
4
W
4
1
5
[1]4x8b.a none . . . . . . . Ca,Fe
[1]4x8d.a avi13 . . . . . . . Ca,Mn
[1]4x8e.a avj14 . . . . . . . Ca,Fe

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 Me
H
1
3
4
Q
1
3
7
H
1
3
8
Y
3
7
7
Y
3
8
0
N
4
1
4
W
4
1
5
[1]4x8b.a . . . . . . . Ca,Fe
[1]4x8d.a . . . . . . . Ca,Mn
[1]4x8e.a . . . . . . . Ca,Fe

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
4x8b.a is apo
4x8d.a:avi
4x8e.a:avj
[1] 4x8b.a
-
0.1 0.1
[1] 4x8d.a -
0
0
[1] 4x8e.a - 0
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
4x8b.a
4x8d.a
4x8e.a
[1] 4x8b.a
0
.01 .01
[1] 4x8d.a .01
0
0
[1] 4x8e.a .01 0
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
4x8b.a
4x8d.a
4x8e.a
[1] 4x8b.a
0
0.1 0.1
[1] 4x8d.a 0.1
0
0.1
[1] 4x8e.a 0.1 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
4x8b.a
4x8d.a
4x8e.a
[1] 4x8b.a
0
0.2 0.2
[1] 4x8d.a 0.2
0
0.1
[1] 4x8e.a 0.2 0.1
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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