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AVR2A_HUMAN_190_488

Activin receptor type-2A [Protein kinase superfamily. TKL Ser/Thr protein kinase family. TGFB receptor subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (AVR2A_HUMAN):D: Protein kinase (198:201, 206, 217, 219, 247, 267:271, 273, 277, 326, 327, 329, 340)198:201, 206, 217, 219, 247, 267:271, 273, 277, 326, 327, 329, 340

Full PDB list

3q4t, 3soc, 4asx

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
K
1
9
8
A
1
9
9
G
2
0
1
V
2
0
6
A
2
1
7
K
2
1
9
L
2
4
7
T
2
6
7
A
2
6
8
F
2
6
9
H
2
7
0
E
2
7
1
G
2
7
3
D
2
7
7
K
3
2
6
N
3
2
7
L
3
2
9
D
3
4
0
[1]3q4t.a tak30 . . . . . . . . . . . . . . . . . .
[1]3soc.b gvd29 . . . . . . . . . . . . . . . . . .
[1]4asx.a 6oj17 . . . . . . . . . . . . . . . . . .

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
K
1
9
8
A
1
9
9
R
2
0
0
G
2
0
1
V
2
0
6
A
2
1
7
K
2
1
9
L
2
4
7
T
2
6
7
A
2
6
8
F
2
6
9
H
2
7
0
E
2
7
1
G
2
7
3
D
2
7
7
K
3
2
6
N
3
2
7
L
3
2
9
D
3
4
0
[1]3q4t.a . . . . . . . . . . . . . . . . . . .
[1]3soc.b . . . . . . . . . . . . . . . . . . .
[1]4asx.a * * . . . . . . . . . . . . . . . . .

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
3q4t.a:tak
3soc.b:gvd
4asx.a:6oj
[1] 3q4t.a
0
0.3 0.1
[1] 3soc.b 0.1
0
0
[1] 4asx.a 2.0 2.9
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
3q4t.a
3soc.b
4asx.a
[1] 3q4t.a
0
.02 .14
[1] 3soc.b .02
0
.16
[1] 4asx.a .14 .16
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.2 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
3q4t.a
3soc.b
4asx.a
[1] 3q4t.a
0
0.7 0.4
[1] 3soc.b 0.7
0
0.8
[1] 4asx.a 0.4 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

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
3q4t.a
3soc.b
4asx.a
[1] 3q4t.a
0
1.8 1.7
[1] 3soc.b 1.8
0
1.2
[1] 4asx.a 1.7 1.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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