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AT1B1_PIG_8_73

Sodium/potassium-transporting ATPase subunit beta-1 [X(+)/potassium ATPases subunit beta family] / Sodium/potassium-transporting ATPase subunit alpha-1 (AT1A1_RAT) [Cation transport ATPase (P-type) (TC 3.A.3) family. Type IIC subfamily]

Composition of the binding site

Protein chains heterodimer
A1 (AT1B1_PIG):34, 37, 38, 41, 42, 4534, 37, 38, 41, 42, 45
B1 (AT1A1_RAT):997, 1001, 1012, 1014:1017997, 1001, 1012, 1014:1017

Full PDB list

3b8e, 3kdp, 3wgu, 3wgv, 4hyt, 4res (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 B1
K
3
4
L
3
7
F
3
8
I
4
1
F
4
2
C
4
5
Y
1
0
0
1
R
1
0
1
2
G
1
0
1
5
W
1
0
1
6
V
1
0
1
7
[1]4hyt.b ce134 . . . . . . . . . . .
[2]3wgu.d 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

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PDB.ch
A1 B1
K
3
4
L
3
7
F
3
8
I
4
1
F
4
2
C
4
5
L
9
9
7
Y
1
0
0
1
R
1
0
1
2
G
1
0
1
4
G
1
0
1
5
W
1
0
1
6
V
1
0
1
7
[1]4hyt.b . . . . . . . . . . . . .
[2]3wgu.d * . . * . . . . . . * * *

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
4hyt.b:ce1
3wgu.d is apo
[1] 4hyt.b
0
-
[2] 3wgu.d 5.2
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 clusters)

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
4hyt.b
3wgu.d
[1] 4hyt.b
0
.35
[2] 3wgu.d .35
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.7 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
4hyt.b
3wgu.d
[1] 4hyt.b
0
1.1
[2] 3wgu.d 1.1
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
4hyt.b
3wgu.d
[1] 4hyt.b
0
1.5
[2] 3wgu.d 1.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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