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ROS1_HUMAN_1932_2232

Proto-oncogene tyrosine-protein kinase ROS [Protein kinase superfamily. Tyr protein kinase family. Insulin receptor subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ROS1_HUMAN):D: Protein kinase (1951, 1959, 1978, 1980, 2010, 2026:2030, 2032, 2033, 2083, 2084, 2086, 2101, 2102)1951, 1959, 1978, 1980, 2010, 2026:2030, 2032, 2033, 2083, 2084, 2086, 2101, 2102

Full PDB list

3zbf, 4uxl

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
1
9
5
1
V
1
9
5
9
A
1
9
7
8
K
1
9
8
0
L
2
0
1
0
L
2
0
2
6
E
2
0
2
7
L
2
0
2
8
M
2
0
2
9
E
2
0
3
0
G
2
0
3
2
D
2
0
3
3
R
2
0
8
3
N
2
0
8
4
L
2
0
8
6
G
2
1
0
1
D
2
1
0
2
[1]3zbf.a vgh30 . . . . . . . . . . . . . . . . .
[1]4uxl.a 5p830 . . . . . . . . . . . . . . . . .

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
L
1
9
5
1
V
1
9
5
9
A
1
9
7
8
K
1
9
8
0
L
2
0
1
0
L
2
0
2
6
E
2
0
2
7
L
2
0
2
8
M
2
0
2
9
E
2
0
3
0
G
2
0
3
2
D
2
0
3
3
R
2
0
8
3
N
2
0
8
4
L
2
0
8
6
G
2
1
0
1
D
2
1
0
2
[1]3zbf.a . . . . . . . . . . . . . . . . .
[1]4uxl.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
3zbf.a:vgh
4uxl.a:5p8
[1] 3zbf.a
0
0
[1] 4uxl.a 0.1
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
3zbf.a
4uxl.a
[1] 3zbf.a
0
.01
[1] 4uxl.a .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.2 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
3zbf.a
4uxl.a
[1] 3zbf.a
0
0.3
[1] 4uxl.a 0.3
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.2 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
3zbf.a
4uxl.a
[1] 3zbf.a
0
0.4
[1] 4uxl.a 0.4
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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