Receptor
PDB id Resolution Class Description Source Keywords
5MXC 1.14 Å NON-ENZYME: BINDING ALEURIA AURANTIA LECTIN (AAL) N224Q MUTANT IN COMPLEX WITH A METHYL-L-FUCOSIDE ALEURIA AURANTIA LECTIN SIX-BLADED BETA-PROPELLER ALPHA-METHYL FUCOSIDE SUBINDING PROTEIN
Ref.: INFLUENCE OF TRP FLIPPING ON CARBOHYDRATE BINDING I LECTINS. AN EXAMPLE ON ALEURIA AURANTIA LECTIN AAL. PLOS ONE V. 12 89375 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MFU A:403;
A:405;
A:401;
A:404;
A:406;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
178.183 C7 H14 O5 C[C@H...
GOL A:402;
A:407;
A:408;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OFZ 1.5 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF FUNGAL LECTIN: SIX-BLADED BETA-PROPELLER FOLD AND NOVEL FUCOSE RECOGNITION MODE FOR A LEURIA AURANTIA LECTIN ALEURIA AURANTIA SUGAR-BINDING PROTEIN LECTIN AAL FUCOSE ALEURIA AURANTIA LECTIN
Ref.: CRYSTAL STRUCTURE OF FUNGAL LECTIN: SIX-BLADED {BETA}-PROPELLER FOLD AND NOVEL FUCOSE RECOGNITION MODE FOR ALEURIA AURANTIA LECTIN J.BIOL.CHEM. V. 278 27059 2003
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1OFZ Kd = 24.1 uM FUL C6 H12 O5 C[C@H]1[C@....
2 1IUC - FUL C6 H12 O5 C[C@H]1[C@....
3 1IUB - FUL C6 H12 O5 C[C@H]1[C@....
4 5MXC - MFU C7 H14 O5 C[C@H]1[C@....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 1OFZ Kd = 24.1 uM FUL C6 H12 O5 C[C@H]1[C@....
2 1IUC - FUL C6 H12 O5 C[C@H]1[C@....
3 1IUB - FUL C6 H12 O5 C[C@H]1[C@....
4 5MXC - MFU C7 H14 O5 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: MFU; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 MFB 1 1
2 MFU 1 1
3 FSW 0.5 0.827586
4 KG1 0.452381 0.851852
5 AMG 0.410256 0.727273
6 MMA 0.410256 0.727273
7 MBG 0.410256 0.727273
8 GYP 0.410256 0.727273
9 2M5 0.4 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OFZ; Ligand: FUL; 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: 1ofz.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1OFZ; Ligand: FUL; 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: 1ofz.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1OFZ; Ligand: FUL; 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: 1ofz.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1OFZ; Ligand: FUC; 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: 1ofz.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1OFZ; Ligand: FUC; 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: 1ofz.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1OFZ; Ligand: FUC; 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: 1ofz.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1OFZ; Ligand: FUL; 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: 1ofz.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1OFZ; Ligand: FUL; 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: 1ofz.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1OFZ; Ligand: FUL; 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: 1ofz.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1OFZ; Ligand: FUC; 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: 1ofz.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1OFZ; Ligand: FUL; 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: 1ofz.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1OFZ; Ligand: FUL; 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: 1ofz.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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