Receptor
PDB id Resolution Class Description Source Keywords
1URL 2.4 Å NON-ENZYME: IMMUNE N-TERMINAL DOMAIN OF SIALOADHESIN (MOUSE) IN COMPLEX WITH GL MUS MUSCULUS LECTIN/IG-DOMAIN SIALOADHESIN OLIGOSACCHARIDE MIMICS MOLEMIMICRY CELL ADHESION LECTIN IMMUNOGLOBULIN DOMAIN SUGAPROTEIN IMMUNE SYSTEM COMPLEX SUGAR BINDING PROTEIN IMMUNSUGAR BINDING PROTEIN-IMMUNE SYSTEM COMPLEX
Ref.: COMPLEX OF SIALOADHESIN WITH A GLYCOPEPTIDE LIGAND BIOCHIM.BIOPHYS.ACTA V.1702 173 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA GLY HIS THR TRP GLY HIA SIA B:2;
 Valid;
 none;
 submit data
903.904 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BVE 2.2 Å NON-ENZYME: IMMUNE STRUCTURE OF THE N-TERMINAL OF SIALOADHESIN IN COMPLEX WITH PROP5AC MUS MUSCULUS IMMUNE SYSTEM IMMUNOGLOBULIN LECTIN SUPERFAMILY CARBOHYDBINDING SIGLEC INHIBITOR DESIGN CELL ADHESION
Ref.: CRYSTALLOGRAPHIC AND IN SILICO ANALYSIS OF THE SIALOSIDE-BINDING CHARACTERISTICS OF THE SIGLEC SIALOADHESIN. J.MOL.BIOL. V. 365 1469 2007
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 1OD9 - BND C19 H26 N2 O9 CC(=O)N[C@....
2 2BVE ic50 = 215 uM PH5 C19 H27 N O9 CCC(=O)N[C....
3 1URL - ALA GLY HIS THR TRP GLY HIA SIA n/a n/a
4 1QFO - SIA C11 H19 N O9 CC(=O)N[C@....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 1OD9 - BND C19 H26 N2 O9 CC(=O)N[C@....
2 2BVE ic50 = 215 uM PH5 C19 H27 N O9 CCC(=O)N[C....
3 1URL - ALA GLY HIS THR TRP GLY HIA SIA n/a n/a
4 1QFO - SIA C11 H19 N O9 CC(=O)N[C@....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 1OD9 - BND C19 H26 N2 O9 CC(=O)N[C@....
2 2BVE ic50 = 215 uM PH5 C19 H27 N O9 CCC(=O)N[C....
3 1URL - ALA GLY HIS THR TRP GLY HIA SIA n/a n/a
4 1QFO - SIA C11 H19 N O9 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA GLY HIS THR TRP GLY HIA SIA; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA GLY HIS THR TRP GLY HIA SIA 1 1
2 GLY LYS ILE SER LYS HIS TRP THR GLY ILE 0.414894 0.805556
3 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.414508 0.794521
4 ACE TRP HIS THR ALA NH2 NH2 0.414013 0.735294
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA GLY HIS THR TRP GLY HIA SIA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BVE; Ligand: PH5; 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: 2bve.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2BVE; Ligand: PH5; 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: 2bve.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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