If you see this message after the page is completely loaded, then JavaScript is not supported or disabled in your browser. Please consider enabling JavaScript for this site.

ATS1_HUMAN_254_548

A disintegrin and metalloproteinase with thrombospondin motifs 1

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ATS1_HUMAN):D: Peptidase M12B (368:373, 375, 394, 397, 398, 401, 402, 405, 411, 429, 431:434, 437)368:373, 375, 394, 397, 398, 401, 402, 405, 411, 429, 431:434, 437, 526
Metals (Me):Mg/Na/Ni/Zn

Full PDB list

2jih, 2v4b, 3q2g, 3q2h

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
D
3
6
8
T
3
6
9
L
3
7
0
G
3
7
1
M
3
7
2
A
3
7
3
V
3
7
5
F
3
9
7
T
3
9
8
H
4
0
1
E
4
0
2
H
4
0
5
H
4
1
1
M
4
2
9
A
4
3
1
S
4
3
2
M
4
3
3
L
4
3
4
F
5
2
6
[1]2jih.b 09723 . . . . . . . . . . . . . . . . . . . Mg,Na,Ni,Zn
[1]2v4b.b none . . . . . . . . . . . . . . . . . . . Mg,Na,Ni,Zn
[1]3q2g.a qgf36 . . . . . . . . . . . . . . . . . . . Mg,Na,Ni,Zn
[1]3q2h.b qhf35 . . . . . . . . . . . . . . . . . . . Mg,Na,Ni,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

[download in TSV format]
   
PDB.ch
A1 Me
D
3
6
8
T
3
6
9
L
3
7
0
G
3
7
1
M
3
7
2
A
3
7
3
V
3
7
5
Q
3
9
4
F
3
9
7
T
3
9
8
H
4
0
1
E
4
0
2
H
4
0
5
H
4
1
1
M
4
2
9
A
4
3
1
S
4
3
2
M
4
3
3
L
4
3
4
L
4
3
7
F
5
2
6
[1]2jih.b . . . . . . . * . . . . . . . . . . . . . Mg,Na,Ni,Zn
[1]2v4b.b . . . . . . . . . . . . . . . . . . * . . Mg,Na,Ni,Zn
[1]3q2g.a . . . . . . . . . . . . . . . . . * * . . Mg,Na,Ni,Zn
[1]3q2h.b . . . . . . . . . . . . . . . . . . . . . Mg,Na,Ni,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

zoom: [−] [+]; [view as image]; [download as text]

pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
2jih.b:097
2v4b.b is apo
3q2g.a:qgf
3q2h.b:qhf
[1] 2jih.b
0
- 1.0 1.2
[1] 2v4b.b 0.8
-
0.9 0.9
[1] 3q2g.a 1.5 -
0.3
0.3
[1] 3q2h.b 0.6 - 0.1
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
2jih.b
2v4b.b
3q2g.a
3q2h.b
[1] 2jih.b
0
.10 .10 .06
[1] 2v4b.b .10
0
.04 .06
[1] 3q2g.a .10 .04
0
.05
[1] 3q2h.b .06 .06 .05
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

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
2jih.b
2v4b.b
3q2g.a
3q2h.b
[1] 2jih.b
0
0.7 0.4 0.6
[1] 2v4b.b 0.7
0
0.7 0.8
[1] 3q2g.a 0.4 0.7
0
0.4
[1] 3q2h.b 0.6 0.8 0.4
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

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
2jih.b
2v4b.b
3q2g.a
3q2h.b
[1] 2jih.b
0
1.3 1.4 1.3
[1] 2v4b.b 1.3
0
1.0 0.9
[1] 3q2g.a 1.4 1.0
0
1.0
[1] 3q2h.b 1.3 0.9 1.0
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

L C X E | Background Color: | Anaglyph Stereo:

loading...