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AASS_HUMAN_453_926

Alpha-aminoadipic semialdehyde synthase, mitochondrial

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (AASS_HUMAN):R: Saccharopine dehydrogenase (603, 604, 633:635, 652, 702, 724, 726, 870)603, 604, 633:635, 652, 702, 724, 726, 870

Full PDB list

5l76, 5l78, 5o1n, 5o1o, 5o1p (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1
D
6
0
4
G
6
3
4
G
6
3
5
W
6
5
2
N
7
0
2
T
7
2
4
R
7
2
6
M
8
7
0
[1]5l78.b none . . . . . . . .
[1]5o1n.a 9h814 . . . . . . . .
[1]5o1o.a P8 . . . . . . . .

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

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PDB.ch
A1
L
6
0
3
D
6
0
4
C
6
3
3
G
6
3
4
G
6
3
5
W
6
5
2
N
7
0
2
T
7
2
4
R
7
2
6
M
8
7
0
[1]5l78.b . . . . . . . . . .
[1]5o1n.a . . . . . . . . . .
[1]5o1o.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
5l78.b is apo
5o1n.a:9h8
5o1o.a:P
[1] 5l78.b
-
0.4 0
[1] 5o1n.a -
0
0.1
[1] 5o1o.a - 0.1
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
5l78.b
5o1n.a
5o1o.a
[1] 5l78.b
0
.03 .03
[1] 5o1n.a .03
0
0
[1] 5o1o.a .03 0
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.7 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
5l78.b
5o1n.a
5o1o.a
[1] 5l78.b
0
0.5 0.8
[1] 5o1n.a 0.5
0
0.8
[1] 5o1o.a 0.8 0.8
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.5 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
5l78.b
5o1n.a
5o1o.a
[1] 5l78.b
0
0.7 1.2
[1] 5o1n.a 0.7
0
1.3
[1] 5o1o.a 1.2 1.3
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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