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ALD2_MOUSE_2_316

Aldose reductase-related protein 2 [Aldo/keto reductase family]

Composition of the binding site

Protein chains monomer
A1 (ALD2_MOUSE):21, 49, 80, 111, 112, 114, 122, 123, 299, 301, 304, 307, 31021, 49, 80, 111, 112, 114, 122, 123, 299, 301, 304, 307, 310
Cofactors (cF):nap/ndp

Full PDB list

1c9w, 1frb

Pocket contact map

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PDB.ch
   
ligand
A1 cF
W
2
1
Y
4
9
W
8
0
H
1
1
1
W
1
1
2
Q
1
1
4
F
1
2
3
C
2
9
9
L
3
0
1
T
3
0
4
M
3
0
7
[1]1frb.a zst29 . . . . . . . . . . . ndp
[2]1c9w.a none . . . . . . . . . . . nap

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 cF
W
2
1
Y
4
9
W
8
0
H
1
1
1
W
1
1
2
Q
1
1
4
L
1
2
2
F
1
2
3
C
2
9
9
L
3
0
1
T
3
0
4
M
3
0
7
Y
3
1
0
[1]1frb.a . . . . . . . . . . . . . ndp
[2]1c9w.a . . . . * . . . . . . . . nap

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
1frb.a:zst
1c9w.a is apo
[1] 1frb.a
0
-
[2] 1c9w.a 4.2
-
[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
1frb.a
1c9w.a
[1] 1frb.a
0
.32
[2] 1c9w.a .32
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
1frb.a
1c9w.a
[1] 1frb.a
0
0.8
[2] 1c9w.a 0.8
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
1frb.a
1c9w.a
[1] 1frb.a
0
1.5
[2] 1c9w.a 1.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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