Receptor
PDB id Resolution Class Description Source Keywords
4AGI 1.6 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF FUCOSE BINDING LECTIN FROM ASPERGILLUS FUMIGATUS (AFL) IN COMPLEX WITH SELENO FUCOSIDE. ASPERGILLUS FUMIGATUS SUGAR-BINDING PROTEIN
Ref.: A SOLUBLE FUCOSE-SPECIFIC LECTIN FROM ASPERGILLUS F CONIDIA - STRUCTURE, SPECIFICITY AND POSSIBLE ROLE FUNGAL PATHOGENICITY. PLOS ONE V. 8 83077 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SFU A:960;
A:910;
D:960;
C:910;
D:990;
D:940;
B:950;
C:950;
C:920;
A:990;
B:940;
A:940;
B:960;
B:920;
A:930;
A:920;
D:950;
C:940;
C:930;
D:930;
A:950;
D:910;
B:930;
B:910;
C:960;
D:920;
Valid;
Valid;
Valid;
Valid;
Invalid;
Valid;
Valid;
Valid;
Valid;
Invalid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
241.144 C7 H14 O4 Se C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4D4U 1.99 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF FUCOSE BINDING LECTIN FROM ASPERGILLUS FUMIGATUS (AFL) IN COMPLEX WITH LEWISY TETRASACCHARIDE. ASPERGILLUS FUMIGATUS SUGAR BINDING PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO ASPERGILLUS FUMIGATUS LECT SPECIFICITY: AFL BINDING SITES ARE FUNCTIONALLY NON EQUIVALENT. ACTA CRYSTALLOGR.,SECT.D V. 71 442 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 544 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@....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 420 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 319 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: SFU; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 TFU 1 1
2 SFU 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4D4U; Ligand: FUC GAL NAG; 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: 4d4u.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4D4U; Ligand: FUC GAL NAG; 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: 4d4u.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4D4U; Ligand: FUC GAL NDG FUC; 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: 4d4u.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4D4U; Ligand: FUC NDG GAL 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: 4d4u.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4D4U; Ligand: FUC NDG GAL 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: 4d4u.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4D4U; 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: 4d4u.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4D4U; Ligand: FUC GAL; 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: 4d4u.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4D4U; 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: 8) in the query (biounit: 4d4u.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4D4U; Ligand: FUC GAL NAG; 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: 4d4u.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4D4U; Ligand: FUC GAL NAG; 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: 4d4u.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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