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DPSS_PINSY_2_393

Pinosylvin synthase [Chalcone/stilbene synthases family]

Composition of the binding site

Protein chains homodimer [domain annotation]
A1 (DPSS_PINSY):R: Substrate binding (308)
135, 167, 200, 218, 257, 258, 266, 268, 306, 339, 376:378
135, 167, 200, 218, 257, 258, 266, 268, 306, 308, 339, 376:378
A2 (DPSS_PINSY):140140

Full PDB list

1u0u, 1xes, 1xet (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1
C
1
6
7
T
2
0
0
F
2
1
8
I
2
5
7
G
2
5
8
L
2
6
6
F
2
6
8
H
3
0
6
N
3
3
9
[1]1u0u.b none . . . . . . . . .
[1]1xes.a 3io15 . . . . . . . . .

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 A2
T
1
3
5
C
1
6
7
T
2
0
0
F
2
1
8
I
2
5
7
G
2
5
8
L
2
6
6
F
2
6
8
H
3
0
6
G
3
0
8
N
3
3
9
F
3
7
6
G
3
7
7
P
3
7
8
L
1
4
0
[1]1u0u.b . . . . . . . . . . . . . . .
[1]1xes.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
1u0u.b is apo
1xes.a:3io
[1] 1u0u.b
-
1.3
[1] 1xes.a -
0.1
[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
1u0u.b
1xes.a
[1] 1u0u.b
0
.08
[1] 1xes.a .08
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.5 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
1u0u.b
1xes.a
[1] 1u0u.b
0
0.3
[1] 1xes.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

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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
1u0u.b
1xes.a
[1] 1u0u.b
0
1.0
[1] 1xes.a 1.0
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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