Receptor
PDB id Resolution Class Description Source Keywords
5H47 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF AOL COMPLEXED WITH 2-MESE-FUC ASPERGILLUS ORYZAE RIB40 SELENO-FUCOSES PHAING LECTIN ASPERGILLUS ORYZAE SUGAR BIPROTEIN
Ref.: SYNTHESIS OF SELENO-FUCOSE COMPOUNDS AND THEIR APPL TO THE X-RAY STRUCTURAL DETERMINATION OF CARBOHYDRA COMPLEXES USING SINGLE/MULTI-WAVELENGTH ANOMALOUS D PHASING BIOORG. MED. CHEM. V. 25 1132 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FSW G:1006;
K:1004;
F:1005;
L:1002;
D:1003;
H:1004;
A:1006;
I:1001;
K:1001;
B:1004;
B:1002;
D:1002;
C:1006;
G:1004;
A:1001;
C:1001;
A:1005;
H:1003;
L:1005;
K:1006;
D:1005;
E:1006;
C:1003;
J:1006;
H:1001;
F:1006;
I:1004;
K:1003;
C:1005;
C:1002;
J:1004;
E:1003;
I:1006;
J:1001;
B:1006;
G:1001;
I:1005;
E:1001;
C:1004;
F:1002;
G:1005;
E:1004;
F:1003;
J:1003;
K:1005;
A:1003;
D:1006;
H:1005;
L:1001;
I:1002;
I:1003;
D:1004;
J:1005;
F:1001;
B:1005;
A:1004;
B:1001;
G:1003;
J:1002;
L:1006;
E:1002;
F:1004;
H:1002;
K:1002;
B:1003;
L:1003;
D:1001;
H:1006;
E:1005;
A:1002;
G:1002;
L:1004;
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submit data
255.17 C8 H16 O4 Se C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EO8 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF AOL(868) ASPERGILLUS ORYZAE RIB40 SELENO-FUCOSES PHAING LECTIN ASPERGILLUS ORYZAE SUGAR BIPROTEIN
Ref.: SIX INDEPENDENT FUCOSE-BINDING SITES IN THE CRYSTAL STRUCTURE OF ASPERGILLUS ORYZAE LECTIN BIOCHEM.BIOPHYS.RES.COMMUN. V. 477 477 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5EO8 - TFU C7 H14 O4 Se C[C@H]1[C@....
2 5H47 - FSW C8 H16 O4 Se C[C@H]1[C@....
3 5EO7 - SFU C7 H14 O4 Se C[C@H]1[C@....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 4D4U Kd = 91.9 uM FUC C6 H12 O5 C[C@H]1[C@....
2 4AGI - SFU C7 H14 O4 Se C[C@H]1[C@....
3 5EO8 - TFU C7 H14 O4 Se C[C@H]1[C@....
4 5H47 - FSW C8 H16 O4 Se C[C@H]1[C@....
5 5EO7 - SFU C7 H14 O4 Se C[C@H]1[C@....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 4D4U Kd = 91.9 uM FUC C6 H12 O5 C[C@H]1[C@....
2 4AGI - SFU C7 H14 O4 Se C[C@H]1[C@....
3 5EO8 - TFU C7 H14 O4 Se C[C@H]1[C@....
4 5H47 - FSW C8 H16 O4 Se C[C@H]1[C@....
5 5EO7 - SFU C7 H14 O4 Se C[C@H]1[C@....
6 1OFZ Kd = 24.1 uM FUL C6 H12 O5 C[C@H]1[C@....
7 1IUC - FUL C6 H12 O5 C[C@H]1[C@....
8 1IUB - FUL C6 H12 O5 C[C@H]1[C@....
9 5MXC - MFU C7 H14 O5 C[C@H]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FSW; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 FSW 1 1
2 MFU 0.5 0.827586
3 MFB 0.5 0.827586
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EO8; Ligand: TFU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5eo8.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5EO8; Ligand: TFU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5eo8.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5EO8; Ligand: TFU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5eo8.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5EO8; Ligand: TFU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5eo8.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5EO8; Ligand: TFU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5eo8.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5EO8; Ligand: TFU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5eo8.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5EO8; Ligand: TFU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 5eo8.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5EO8; Ligand: TFU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 5eo8.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 5EO8; Ligand: TFU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 5eo8.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 5EO8; Ligand: TFU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 5eo8.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 5EO8; Ligand: TFU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 5eo8.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 5EO8; Ligand: TFU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 5eo8.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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