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ERBB2_HUMAN_697_1029

Receptor tyrosine-protein kinase erbB-2 [Protein kinase superfamily. Tyr protein kinase family. EGF receptor subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ERBB2_HUMAN):D: Protein kinase (726:729, 734, 751, 753, 770, 771, 774, 783:785, 796, 798:801, 804, 849, 850, 852, 862:864)
1004
726:729, 734, 751, 753, 770, 771, 774, 783:785, 796, 798:801, 804, 849, 850, 852, 862:864, 1004

Full PDB list

3pp0, 3rcd

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
7
2
6
G
7
2
7
V
7
3
4
A
7
5
1
K
7
5
3
E
7
7
0
A
7
7
1
M
7
7
4
S
7
8
3
L
7
8
5
L
7
9
6
T
7
9
8
Q
7
9
9
L
8
0
0
M
8
0
1
G
8
0
4
R
8
4
9
N
8
5
0
L
8
5
2
T
8
6
2
D
8
6
3
F
8
6
4
F
1
0
0
4
[1]3pp0.b 03q34 . . . . . . . . . . . . . . . . . . . . . . .
[1]3rcd.a 03p38 . . . . . . . . . . . . . . . . . . . . . . .
[1]3rcd.b none . . . . . . . . . . . . . . . . . . . . . . .

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
7
2
6
G
7
2
7
S
7
2
8
G
7
2
9
V
7
3
4
A
7
5
1
K
7
5
3
E
7
7
0
A
7
7
1
M
7
7
4
S
7
8
3
R
7
8
4
L
7
8
5
L
7
9
6
T
7
9
8
Q
7
9
9
L
8
0
0
M
8
0
1
G
8
0
4
R
8
4
9
N
8
5
0
L
8
5
2
T
8
6
2
D
8
6
3
F
8
6
4
F
1
0
0
4
[1]3pp0.b . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3rcd.a . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3rcd.b . . . . . . . . . . . . . . . . . . . . . . . . * .

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
3pp0.b:03q
3rcd.a:03p
3rcd.b is apo
[1] 3pp0.b
0
2.0 -
[1] 3rcd.a 0.3
0
-
[1] 3rcd.b 0.5 1.1
-
[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
3pp0.b
3rcd.a
3rcd.b
[1] 3pp0.b
0
.09 .10
[1] 3rcd.a .09
0
.07
[1] 3rcd.b .10 .07
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.4 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
3pp0.b
3rcd.a
3rcd.b
[1] 3pp0.b
0
1.4 1.2
[1] 3rcd.a 1.4
0
1.1
[1] 3rcd.b 1.2 1.1
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.1 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
3pp0.b
3rcd.a
3rcd.b
[1] 3pp0.b
0
1.6 1.4
[1] 3rcd.a 1.6
0
1.4
[1] 3rcd.b 1.4 1.4
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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