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AL7A1_HUMAN_27_537

Alpha-aminoadipic semialdehyde dehydrogenase [Aldehyde dehydrogenase family]

Composition of the binding site

Protein chains monomer
A1 (AL7A1_HUMAN):149, 195, 196, 199, 200, 203, 329:331, 488:490, 496, 507149, 195, 196, 199, 200, 203, 329:331, 488:490, 496, 507

Full PDB list

2j6l, 4x0t, 4x0u, 4zuk, 4zul, 4zvw, 4zvx, 4zvy (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
E
1
4
9
N
1
9
5
F
1
9
6
A
1
9
9
V
2
0
0
W
2
0
3
R
3
2
9
C
3
3
0
T
3
3
1
G
4
8
9
A
4
9
0
F
4
9
6
E
5
0
7
[1]2j6l.a none . . . . . . . . . . . . .
[1]4zul.a un111 . . . . . . . . . . . . .
[2]4x0t.c 3w913 . . . . . . . * . . . . .

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
E
1
4
9
N
1
9
5
F
1
9
6
A
1
9
9
V
2
0
0
W
2
0
3
R
3
2
9
C
3
3
0
T
3
3
1
S
4
8
8
G
4
8
9
A
4
9
0
F
4
9
6
E
5
0
7
[1]2j6l.a . . . . . * . * . . . . . .
[1]4zul.a . . . . . * . . . . . . . .
[2]4x0t.c . . . . . . . * . . . . . .

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
2j6l.a is apo
4zul.a:un1
4x0t.c:3w9
[1] 2j6l.a
-
0.6 4.7
[1] 4zul.a -
0
4.8
[2] 4x0t.c - 0.4
0.7
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 clusters)

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
2j6l.a
4zul.a
4x0t.c
[1] 2j6l.a
0
.10 .27
[1] 4zul.a .10
0
.37
[2] 4x0t.c .27 .37
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.0 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
2j6l.a
4zul.a
4x0t.c
[1] 2j6l.a
0
1.1 0.3
[1] 4zul.a 1.1
0
1.2
[2] 4x0t.c 0.3 1.2
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
2j6l.a
4zul.a
4x0t.c
[1] 2j6l.a
0
1.1 1.0
[1] 4zul.a 1.1
0
1.5
[2] 4x0t.c 1.0 1.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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