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ENTP2_RAT_27_462

Ectonucleoside triphosphate diphosphohydrolase 2 [GDA1/CD39 NTPase family]

Composition of the binding site

Protein chains monomer
A1 (ENTP2_RAT):50, 245, 246, 249, 391:394, 397, 398, 40150, 245, 246, 249, 391:394, 397, 398, 401

Full PDB list

3cj1, 3cj7, 3cj9, 3cja, 4bqz, 4br0, 4br2, 4br5, 4cd1, 4cd3 (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1
H
5
0
R
2
4
5
D
2
4
6
L
2
4
9
K
3
9
2
T
3
9
3
R
3
9
4
D
3
9
7
Y
3
9
8
V
4
0
1
[1]3cj1.a none . . . . . . . . . .
[2]4cd3.a 8e929 . . . . . . . . . .

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
H
5
0
R
2
4
5
D
2
4
6
L
2
4
9
Q
3
9
1
K
3
9
2
T
3
9
3
R
3
9
4
D
3
9
7
Y
3
9
8
V
4
0
1
[1]3cj1.a . * . . . . * * . . .
[2]4cd3.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
3cj1.a is apo
4cd3.a:8e9
[1] 3cj1.a
-
5.6
[2] 4cd3.a -
0
[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
3cj1.a
4cd3.a
[1] 3cj1.a
0
.51
[2] 4cd3.a .51
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
3cj1.a
4cd3.a
[1] 3cj1.a
0
0.9
[2] 4cd3.a 0.9
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
3cj1.a
4cd3.a
[1] 3cj1.a
0
2.8
[2] 4cd3.a 2.8
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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