Receptor
PDB id Resolution Class Description Source Keywords
1ULE 2.15 Å NON-ENZYME: BINDING CGL2 IN COMPLEX WITH LINEAR B2 TRISACCHARIDE COPRINOPSIS CINEREA GALECTIN LECTIN BETA-GALACTOSIDE BINDING LECTIN SUGAR BINSUGAR BINDING PROTEIN
Ref.: STRUCTURE AND FUNCTIONAL ANALYSIS OF THE FUNGAL GAL CGL2 STRUCTURE V. 12 689 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG GAL GLA C:1;
D:1;
Valid;
Valid;
none;
none;
Kd = 1.2 uM
n/a n/a
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ULE 2.15 Å NON-ENZYME: BINDING CGL2 IN COMPLEX WITH LINEAR B2 TRISACCHARIDE COPRINOPSIS CINEREA GALECTIN LECTIN BETA-GALACTOSIDE BINDING LECTIN SUGAR BINSUGAR BINDING PROTEIN
Ref.: STRUCTURE AND FUNCTIONAL ANALYSIS OF THE FUNGAL GAL CGL2 STRUCTURE V. 12 689 2004
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1ULG Kd = 62.2 uM NGA GAL n/a n/a
2 1ULE Kd = 1.2 uM NAG GAL GLA n/a n/a
3 2WKK - NAG FUC GAL n/a n/a
4 1ULF - BGC GAL FUC A2G n/a n/a
5 1ULD Kd = 4.5 uM NAG GAL FUC n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 1ULG Kd = 62.2 uM NGA GAL n/a n/a
2 1ULE Kd = 1.2 uM NAG GAL GLA n/a n/a
3 2WKK - NAG FUC GAL n/a n/a
4 1ULF - BGC GAL FUC A2G n/a n/a
5 1ULD Kd = 4.5 uM NAG GAL FUC n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 1ULG Kd = 62.2 uM NGA GAL n/a n/a
2 1ULE Kd = 1.2 uM NAG GAL GLA n/a n/a
3 2WKK - NAG FUC GAL n/a n/a
4 1ULF - BGC GAL FUC A2G n/a n/a
5 1ULD Kd = 4.5 uM NAG GAL FUC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAG GAL GLA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG GAL GLA; Similar ligands found: 3
No: Ligand Similarity coefficient
1 NAG GAL GLA 1.0000
2 NAG GAL GAL 0.9560
3 GAL BGC GLA 0.8854
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ULE; Ligand: NAG GAL GLA; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1ule.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3M3E A2G NPO GAL 48
2 3M3E A2G NPO GAL 48
Pocket No.: 2; Query (leader) PDB : 1ULE; Ligand: NAG GAL GLA; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 1ule.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3M3E A2G NPO GAL 48
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