Receptor
PDB id Resolution Class Description Source Keywords
3LEG 2.01 Å NON-ENZYME: BINDING LECTIN DOMAIN OF LECTINOLYSIN COMPLEXED WITH LEWIS Y ANTIGEN STREPTOCOCCUS MITIS LECTIN DOMAIN OF LECTINOLYSIN LEWIS Y ANTIGEN BLOOD CLOTTINICKEL
Ref.: STRUCTURE OF THE LECTIN REGULATORY DOMAIN OF THE CHOLESTEROL-DEPENDENT CYTOLYSIN LECTINOLYSIN REVEAL BASIS FOR ITS LEWIS ANTIGEN SPECIFICITY. STRUCTURE V. 20 248 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
NI A:191;
Part of Protein;
none;
submit data
58.693 Ni [Ni+2...
NAG FUC GAL FUC B:1;
Valid;
none;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LEK 2 Å NON-ENZYME: BINDING LECTIN DOMAIN OF LECTINOLYSIN COMPLEXED WITH LEWIS B ANTIGEN STREPTOCOCCUS MITIS LECTIN DOMAIN OF LECTINOLYSIN LEWIS B ANTIGEN BLOOD CLOTTINICKEL
Ref.: STRUCTURE OF THE LECTIN REGULATORY DOMAIN OF THE CHOLESTEROL-DEPENDENT CYTOLYSIN LECTINOLYSIN REVEAL BASIS FOR ITS LEWIS ANTIGEN SPECIFICITY. STRUCTURE V. 20 248 2012
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 3LEK - NDG GAL FUC FUC n/a n/a
2 3LEG - NAG FUC GAL FUC n/a n/a
3 3LEI - FUC C6 H12 O5 C[C@H]1[C@....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 3LEK - NDG GAL FUC FUC n/a n/a
2 3LEG - NAG FUC GAL FUC n/a n/a
3 3LEI - FUC C6 H12 O5 C[C@H]1[C@....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 2J1U - BGC GAL FUC A2G n/a n/a
2 2J1V - NAG GAL FUC n/a n/a
3 2J1S - FUL C6 H12 O5 C[C@H]1[C@....
4 2J1T Ka = 1000 M^-1 NAG FUC GAL FUC n/a n/a
5 3LEK - NDG GAL FUC FUC n/a n/a
6 3LEG - NAG FUC GAL FUC n/a n/a
7 3LEI - FUC C6 H12 O5 C[C@H]1[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAG FUC GAL FUC; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG FUC GAL FUC; Similar ligands found: 6
No: Ligand Similarity coefficient
1 NAG FUC GAL FUC 1.0000
2 MAG FUC GAL FUC 0.9702
3 NDG FUC GAL FUC 0.9659
4 NDG GAL FUC FUC 0.9593
5 NAG GAL FUC FUC 0.9560
6 MAG GAL FUC FUC 0.8963
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LEK; Ligand: NDG GAL FUC FUC; 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: 3lek.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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