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TGFR2_HUMAN_236_549

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

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (TGFR2_HUMAN):D: Protein kinase (250:256, 258, 275, 277, 305, 325:329, 331, 332, 335, 381, 383, 384, 386, 396, 397)250:256, 258, 275, 277, 305, 325:329, 331, 332, 335, 381, 383, 384, 386, 396, 397

Full PDB list

5e8v, 5e8y, 5e91, 5e92

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
V
2
5
0
G
2
5
1
G
2
5
3
R
2
5
4
F
2
5
5
A
2
5
6
V
2
5
8
A
2
7
5
K
2
7
7
L
3
0
5
T
3
2
5
A
3
2
6
F
3
2
7
H
3
2
8
A
3
2
9
G
3
3
1
N
3
3
2
K
3
8
1
S
3
8
3
N
3
8
4
L
3
8
6
C
3
9
6
D
3
9
7
[1]5e8v.a none . . . . . . . . . . . . . . . . . . . . . . .
[1]5e8y.a stu35 . . . . . . . . . . . . . . . . . . . . . . .
[1]5e91.a 5l431 . . . . . . . . . . . . . . . . . . . . . . .
[1]5e92.a anp,mg,mg33 . . . . . . . . . . . . . . . . . . . . . . .

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
V
2
5
0
G
2
5
1
K
2
5
2
G
2
5
3
R
2
5
4
F
2
5
5
A
2
5
6
V
2
5
8
A
2
7
5
K
2
7
7
L
3
0
5
T
3
2
5
A
3
2
6
F
3
2
7
H
3
2
8
A
3
2
9
G
3
3
1
N
3
3
2
E
3
3
5
K
3
8
1
S
3
8
3
N
3
8
4
L
3
8
6
C
3
9
6
D
3
9
7
[1]5e8v.a . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5e8y.a . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5e91.a . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5e92.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
5e8v.a is apo
5e8y.a:stu
5e91.a:5l4
5e92.a:anp,mg
[1] 5e8v.a
-
1.3 1.1 1.2
[1] 5e8y.a -
0
0 0.9
[1] 5e91.a - 0.2
0
1.4
[1] 5e92.a - 0.6 0.2
0.4
[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
5e8v.a
5e8y.a
5e91.a
5e92.a
[1] 5e8v.a
0
.04 .06 .04
[1] 5e8y.a .04
0
.02 .04
[1] 5e91.a .06 .02
0
.06
[1] 5e92.a .04 .04 .06
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.6 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
5e8v.a
5e8y.a
5e91.a
5e92.a
[1] 5e8v.a
0
0.6 0.5 0.3
[1] 5e8y.a 0.6
0
0.5 0.6
[1] 5e91.a 0.5 0.5
0
0.6
[1] 5e92.a 0.3 0.6 0.6
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

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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
5e8v.a
5e8y.a
5e91.a
5e92.a
[1] 5e8v.a
0
0.6 0.6 0.6
[1] 5e8y.a 0.6
0
0.5 0.8
[1] 5e91.a 0.6 0.5
0
0.8
[1] 5e92.a 0.6 0.8 0.8
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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