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ADA33_HUMAN_204_410

Disintegrin and metalloproteinase domain-containing protein 33

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ADA33_HUMAN):D: Peptidase M12B (309:312, 342, 345, 346, 349, 355, 374:377)309:312, 342, 345, 346, 349, 355, 374:377
Metals (Me):Zn

Full PDB list

1r54, 1r55

Pocket contact map

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PDB.ch
   
ligand
A1 Me
A
3
0
9
T
3
1
0
V
3
1
1
G
3
1
2
T
3
4
2
H
3
4
5
E
3
4
6
H
3
4
9
H
3
5
5
A
3
7
4
A
3
7
5
A
3
7
6
T
3
7
7
[1]1r54.a none . . . . . . . . . . . . . Zn
[1]1r55.a 09723 . . . . . . . . . . . . . Zn

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 Me
A
3
0
9
T
3
1
0
V
3
1
1
G
3
1
2
T
3
4
2
H
3
4
5
E
3
4
6
H
3
4
9
H
3
5
5
A
3
7
4
A
3
7
5
A
3
7
6
T
3
7
7
[1]1r54.a . . . . . . . . . . . . . Zn
[1]1r55.a . . . . . . . . . . . . . Zn

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
1r54.a is apo
1r55.a:097
[1] 1r54.a
-
0.7
[1] 1r55.a -
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
1r54.a
1r55.a
[1] 1r54.a
0
.05
[1] 1r55.a .05
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.5 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
1r54.a
1r55.a
[1] 1r54.a
0
0.9
[1] 1r55.a 0.9
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
1r54.a
1r55.a
[1] 1r54.a
0
1.0
[1] 1r55.a 1.0
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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