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AOFA_HUMAN_5_526

Amine oxidase [flavin-containing] A [Flavin monoamine oxidase family]

Composition of the binding site

Protein chains monomer
A1 (AOFA_HUMAN):19:24, 42:45, 50:52, 65:69, 97, 180, 181, 208, 210, 215, 216, 242:244, 272:274, 277, 281, 303, 305, 323, 325, 335, 337, 350, 352, 397, 402, 406, 407, 434, 435, 443:445, 44819:24, 42:45, 50:52, 65:69, 97, 180, 181, 208, 210, 215, 216, 242:244, 272:274, 277, 281, 303, 305, 323, 325, 335, 337, 350, 352, 397, 402, 406, 407, 434, 435, 443:445, 448

Full PDB list

2bxr, 2bxs, 2z5x, 2z5y (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
I
1
9
G
2
0
G
2
1
G
2
2
I
2
3
S
2
4
L
4
2
E
4
3
A
4
4
R
4
5
G
5
0
R
5
1
T
5
2
V
6
5
G
6
6
G
6
7
A
6
8
Y
6
9
L
9
7
I
1
8
0
N
1
8
1
F
2
0
8
Q
2
1
5
E
2
1
6
H
2
4
2
P
2
4
3
V
2
4
4
A
2
7
2
I
2
7
3
L
2
7
7
V
3
0
3
K
3
0
5
C
3
2
3
I
3
3
5
L
3
3
7
M
3
5
0
F
3
5
2
W
3
9
7
Y
4
0
2
C
4
0
6
Y
4
0
7
G
4
3
4
T
4
3
5
G
4
4
3
Y
4
4
4
M
4
4
5
A
4
4
8
[1]2bxr.b fad.mlg70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . .
[1]2bxs.a fad,mlg70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . .
[1]2z5y.a fad,hrm69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
I
1
9
G
2
0
G
2
1
G
2
2
I
2
3
S
2
4
L
4
2
E
4
3
A
4
4
R
4
5
G
5
0
R
5
1
T
5
2
V
6
5
G
6
6
G
6
7
A
6
8
Y
6
9
L
9
7
I
1
8
0
N
1
8
1
F
2
0
8
V
2
1
0
Q
2
1
5
E
2
1
6
H
2
4
2
P
2
4
3
V
2
4
4
A
2
7
2
I
2
7
3
P
2
7
4
L
2
7
7
I
2
8
1
V
3
0
3
K
3
0
5
C
3
2
3
I
3
2
5
I
3
3
5
L
3
3
7
M
3
5
0
F
3
5
2
W
3
9
7
Y
4
0
2
C
4
0
6
Y
4
0
7
G
4
3
4
T
4
3
5
G
4
4
3
Y
4
4
4
M
4
4
5
A
4
4
8
[1]2bxr.b . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . .
[1]2bxs.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . .
[1]2z5y.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
2bxr.b:fad.mlg
2bxs.a:fad,mlg
2z5y.a:fad,hrm
[1] 2bxr.b
0.8
1.1 1.7
[1] 2bxs.a 1.3
1.0
1.8
[1] 2z5y.a 3.2 2.4
0.5
[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
2bxr.b
2bxs.a
2z5y.a
[1] 2bxr.b
0
.02 .08
[1] 2bxs.a .02
0
.08
[1] 2z5y.a .08 .08
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

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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
2bxr.b
2bxs.a
2z5y.a
[1] 2bxr.b
0
0.5 1.2
[1] 2bxs.a 0.5
0
1.1
[1] 2z5y.a 1.2 1.1
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.4 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
2bxr.b
2bxs.a
2z5y.a
[1] 2bxr.b
0
0.8 2.0
[1] 2bxs.a 0.8
0
1.8
[1] 2z5y.a 2.0 1.8
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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