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ACVR1_HUMAN_199_499

Activin receptor type-1 [Protein kinase superfamily. TKL Ser/Thr protein kinase family. TGFB receptor subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ACVR1_HUMAN):D: Protein kinase (212:216, 219, 222, 233:235, 248, 263, 281, 283:290, 293, 297, 340, 341, 343, 353, 354)212:216, 219, 222, 233:235, 248, 263, 281, 283:290, 293, 297, 340, 341, 343, 353, 354

Full PDB list

3h9r, 3mtf, 3oom, 3q4u, 4bgg, 4c02, 4dym, 5oxg, 5oy6, 6eix (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
E
2
1
2
V
2
1
4
G
2
1
5
Y
2
1
9
V
2
2
2
A
2
3
3
V
2
3
4
K
2
3
5
E
2
4
8
L
2
6
3
L
2
8
1
T
2
8
3
H
2
8
4
Y
2
8
5
H
2
8
6
E
2
8
7
G
2
8
9
S
2
9
0
D
2
9
3
K
3
4
0
N
3
4
1
L
3
4
3
A
3
5
3
D
3
5
4
[1]3h9r.a tak30 . . . . . . . . . . . . . . . . . . . . . . . .
[1]3mtf.a a3f26 . . . . . . . . . . . . . . . . . . . . . . . .
[1]3oom.a 50725 . . . . . . . . . . . . . . . . . . . . . . . .
[1]3q4u.b ldn31 . . . . . . . . . . . . . . . . . . . . . . . .
[1]4bgg.c 84430 . . . . . . . . . . . . . . . . . . . . . . . .
[1]4dym.a iyz23 . . . . . . . . . . . . . . . . . . . . . . . .
[1]5oxg.a b4b31 . . . . . . . . . . . . . . . . . . . . . . . .
[1]5oy6.c b4e23 . . . . . . . . . . . . . . . . . . . . . . . .

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
E
2
1
2
C
2
1
3
V
2
1
4
G
2
1
5
K
2
1
6
Y
2
1
9
V
2
2
2
A
2
3
3
V
2
3
4
K
2
3
5
E
2
4
8
L
2
6
3
L
2
8
1
T
2
8
3
H
2
8
4
Y
2
8
5
H
2
8
6
E
2
8
7
M
2
8
8
G
2
8
9
S
2
9
0
D
2
9
3
L
2
9
7
K
3
4
0
N
3
4
1
L
3
4
3
A
3
5
3
D
3
5
4
[1]3h9r.a . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3mtf.a . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3oom.a . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3q4u.b . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4bgg.c . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4dym.a . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5oxg.a . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5oy6.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
3h9r.a:tak
3mtf.a:a3f
3oom.a:507
3q4u.b:ldn
4bgg.c:844
4dym.a:iyz
5oxg.a:b4b
5oy6.c:b4e
[1] 3h9r.a
0
0.1 0.1 0 0 0.1 0 0
[1] 3mtf.a 0
0
0 0 0.3 0 0 0
[1] 3oom.a 0 0
0
0 0 0 0 0
[1] 3q4u.b 0 0 0.3
0
0 0 0 0
[1] 4bgg.c 0 0.1 0 0
0
0 0 0
[1] 4dym.a 0 0 0 0 0.1
0
0 0
[1] 5oxg.a 0 0.1 0.1 0 0 0.1
0
0
[1] 5oy6.c 0 0.1 0.1 0 0.2 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
3h9r.a
3mtf.a
3oom.a
3q4u.b
4bgg.c
4dym.a
5oxg.a
5oy6.c
[1] 3h9r.a
0
.02 .01 .01 .01 .01 .01 .01
[1] 3mtf.a .02
0
.01 .02 .01 .01 .01 .01
[1] 3oom.a .01 .01
0
.01 0 0 .01 .01
[1] 3q4u.b .01 .02 .01
0
.01 .01 .01 .01
[1] 4bgg.c .01 .01 0 .01
0
0 .01 .01
[1] 4dym.a .01 .01 0 .01 0
0
.01 .01
[1] 5oxg.a .01 .01 .01 .01 .01 .01
0
.01
[1] 5oy6.c .01 .01 .01 .01 .01 .01 .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.9 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
3h9r.a
3mtf.a
3oom.a
3q4u.b
4bgg.c
4dym.a
5oxg.a
5oy6.c
[1] 3h9r.a
0
0.5 0.6 0.6 0.6 0.8 0.4 0.5
[1] 3mtf.a 0.5
0
0.6 0.7 0.3 0.8 0.4 0.5
[1] 3oom.a 0.6 0.6
0
1.0 0.5 0.5 0.6 0.6
[1] 3q4u.b 0.6 0.7 1.0
0
0.8 1.0 0.6 0.6
[1] 4bgg.c 0.6 0.3 0.5 0.8
0
0.8 0.3 0.5
[1] 4dym.a 0.8 0.8 0.5 1.0 0.8
0
0.7 0.7
[1] 5oxg.a 0.4 0.4 0.6 0.6 0.3 0.7
0
0.4
[1] 5oy6.c 0.5 0.5 0.6 0.6 0.5 0.7 0.4
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.6 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
3h9r.a
3mtf.a
3oom.a
3q4u.b
4bgg.c
4dym.a
5oxg.a
5oy6.c
[1] 3h9r.a
0
0.9 1.1 1.6 0.9 1.3 0.9 0.9
[1] 3mtf.a 0.9
0
0.8 1.6 0.5 0.9 0.5 0.6
[1] 3oom.a 1.1 0.8
0
2.0 0.8 0.9 0.8 0.9
[1] 3q4u.b 1.6 1.6 2.0
0
1.6 2.0 1.6 1.6
[1] 4bgg.c 0.9 0.5 0.8 1.6
0
0.9 0.5 0.6
[1] 4dym.a 1.3 0.9 0.9 2.0 0.9
0
0.8 0.8
[1] 5oxg.a 0.9 0.5 0.8 1.6 0.5 0.8
0
0.6
[1] 5oy6.c 0.9 0.6 0.9 1.6 0.6 0.8 0.6
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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