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AOC1_HUMAN_21_751

Amiloride-sensitive amine oxidase [copper-containing] [Copper/topaquinone oxidase family]

Composition of the binding site

Protein chains homodimer [domain annotation]
A1 (AOC1_HUMAN):R: Substrate binding (371, 373, 376, 377, 380, 381)
R: Substrate binding (458:461)
148, 152, 184:186, 404
148, 152, 184:186, 371, 373, 376, 377, 380, 381, 404, 458:461
A2 (AOC1_HUMAN):435435
Metals (Me):Cu

Full PDB list

3hi7, 3hig, 3hii, 3k5t, 3mph (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2 Me
Y
1
4
8
F
1
8
4
T
1
8
5
D
1
8
6
Y
3
7
1
D
3
7
3
W
3
7
6
S
3
8
0
V
3
8
1
Y
4
0
4
V
4
5
8
Y
4
5
9
N
4
6
0
F
4
3
5
[1]3hig.a brn21 . . . . . . . . . . . . . . Cu
[1]3hii.a pnt25 . . . . . . . . . . . . . . Cu
[1]3k5t.a none . . . . . . . . . . . . . . Cu
[1]3mph.b none . . . . . . . . . . . . . . Cu

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 A2 Me
Y
1
4
8
Y
1
5
2
F
1
8
4
T
1
8
5
D
1
8
6
Y
3
7
1
D
3
7
3
W
3
7
6
G
3
7
7
S
3
8
0
V
3
8
1
Y
4
0
4
V
4
5
8
Y
4
5
9
N
4
6
0
Y
4
6
1
F
4
3
5
[1]3hig.a . . . . . . . . . . . . . . . * . Cu
[1]3hii.a . . . . . . . . . . . . . . . * . Cu
[1]3k5t.a . . . . . . . . . . . . . . . * . Cu
[1]3mph.b . . . . . . . . . . . . . . . agq . Cu

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
3hig.a:brn
3hii.a:pnt
3k5t.a is apo
3mph.b is apo
[1] 3hig.a
0
0.7 - -
[1] 3hii.a 0.1
0.2
- -
[1] 3k5t.a 0.5 0.7
-
-
[1] 3mph.b 3.5 4.7 -
-
[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
3hig.a
3hii.a
3k5t.a
3mph.b
[1] 3hig.a
0
.04 .05 .24
[1] 3hii.a .04
0
.06 .26
[1] 3k5t.a .05 .06
0
.24
[1] 3mph.b .24 .26 .24
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.6 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
3hig.a
3hii.a
3k5t.a
3mph.b
[1] 3hig.a
0
0.2 0.2 0.3
[1] 3hii.a 0.2
0
0.3 0.3
[1] 3k5t.a 0.2 0.3
0
0.2
[1] 3mph.b 0.3 0.3 0.2
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.2 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
3hig.a
3hii.a
3k5t.a
3mph.b
[1] 3hig.a
0
0.5 0.5 0.7
[1] 3hii.a 0.5
0
0.7 0.6
[1] 3k5t.a 0.5 0.7
0
0.8
[1] 3mph.b 0.7 0.6 0.8
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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