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ATS5_HUMAN_262_480

A disintegrin and metalloproteinase with thrombospondin motifs 5

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ATS5_HUMAN):D: Peptidase M12B (372:374, 377:381, 403, 406, 407, 410, 411, 414, 420, 438, 440:446)372:374, 377:381, 403, 406, 407, 410, 411, 414, 420, 438, 440:446, 534
Metals (Me):Ca/Zn

Full PDB list

2rjq, 3b8z, 3hy7, 3hy9, 3hyg, 3ljt

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
G
3
7
2
H
3
7
3
D
3
7
7
T
3
7
8
L
3
7
9
G
3
8
0
M
3
8
1
H
4
0
3
F
4
0
6
T
4
0
7
H
4
1
0
E
4
1
1
H
4
1
4
H
4
2
0
L
4
3
8
S
4
4
0
S
4
4
1
I
4
4
2
L
4
4
3
T
4
4
4
S
4
4
5
I
4
4
6
[1]2rjq.a bat32 . . . . . . . . . . . . . . . . . . . . . . Ca,Zn
[1]3b8z.a 29430 . . . . . . . . . . . . . . . . . . . . . . Ca,Zn
[1]3hy7.a 09723 . . . . . . . . . . . . . . . . . . . . . . Ca,Zn
[1]3hy9.b 09832 . . . . . . . . . . . . . . . . . . . . . . Ca,Zn
[1]3hyg.b 09927 . . . . . . . . . . . . . . . . . . . . . . Ca,Zn
[1]3ljt.a la335 . . . . . . . . . . . . . . . . . . . . . . Ca,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
G
3
7
2
H
3
7
3
H
3
7
4
D
3
7
7
T
3
7
8
L
3
7
9
G
3
8
0
M
3
8
1
H
4
0
3
F
4
0
6
T
4
0
7
H
4
1
0
E
4
1
1
H
4
1
4
H
4
2
0
L
4
3
8
S
4
4
0
S
4
4
1
I
4
4
2
L
4
4
3
T
4
4
4
S
4
4
5
I
4
4
6
L
5
3
4
[1]2rjq.a . . . . . . . . . . . . . . . . . . . * * . * . Ca,Zn
[1]3b8z.a . . . . . . . . . . . . . . . . . . . * . . * - Ca,Zn
[1]3hy7.a . . . . . . . . . . . . . . . . . . . . * . * - Ca,Zn
[1]3hy9.b . . . . . . . . . . . . . . . . . . . * . . * - Ca,Zn
[1]3hyg.b . . . . . . . . . . . . . . . . . . . * . . * - Ca,Zn
[1]3ljt.a . . . . . . . . . . . . . . . . . . . . . . . - Ca,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
2rjq.a:bat
3b8z.a:294
3hy7.a:097
3hy9.b:098
3hyg.b:099
3ljt.a:la3
[1] 2rjq.a
0
3.5 0.2 0.9 0.6 3.6
[1] 3b8z.a 1.7
0
0.9 2.5 1.9 3.6
[1] 3hy7.a 1.6 1.6
0
0.8 0.3 2.3
[1] 3hy9.b 0.9 2.7 0.6
0.2
0.2 3.0
[1] 3hyg.b 0.6 2.2 0.5 0.1
0
2.6
[1] 3ljt.a 0.7 0.7 0.3 0 0
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
2rjq.a
3b8z.a
3hy7.a
3hy9.b
3hyg.b
3ljt.a
[1] 2rjq.a
0
.11 .17 .13 .12 .22
[1] 3b8z.a .11
0
.18 .07 .11 .20
[1] 3hy7.a .17 .18
0
.20 .15 .18
[1] 3hy9.b .13 .07 .20
0
.08 .18
[1] 3hyg.b .12 .11 .15 .08
0
.15
[1] 3ljt.a .22 .20 .18 .18 .15
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.7 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
2rjq.a
3b8z.a
3hy7.a
3hy9.b
3hyg.b
3ljt.a
[1] 2rjq.a
0
1.2 1.0 1.1 1.0 2.3
[1] 3b8z.a 1.2
0
0.7 0.6 0.6 2.0
[1] 3hy7.a 1.0 0.7
0
0.6 0.5 2.2
[1] 3hy9.b 1.1 0.6 0.6
0
0.2 2.1
[1] 3hyg.b 1.0 0.6 0.5 0.2
0
2.1
[1] 3ljt.a 2.3 2.0 2.2 2.1 2.1
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.8 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
2rjq.a
3b8z.a
3hy7.a
3hy9.b
3hyg.b
3ljt.a
[1] 2rjq.a
0
2.3 2.2 1.7 1.7 2.6
[1] 3b8z.a 2.3
0
0.9 1.8 1.7 2.4
[1] 3hy7.a 2.2 0.9
0
1.8 1.6 2.6
[1] 3hy9.b 1.7 1.8 1.8
0
0.6 2.1
[1] 3hyg.b 1.7 1.7 1.6 0.6
0
2.2
[1] 3ljt.a 2.6 2.4 2.6 2.1 2.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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