Receptor
PDB id Resolution Class Description Source Keywords
3QRC 1.85 Å NON-ENZYME: OTHER THE CRYSTAL STRUCTURE OF AIL, THE ATTACHMENT INVASION LOCUS YERSINIA PESTIS, IN COMPLEX WITH THE HEPARIN ANALOGUE SUCROO CTASULFATE YERSINIA PESTIS BETA-BARREL PROTEIN ATTACHMENT AND INVASION VIRULENCE LAMIHEPARIN CELL INVASION
Ref.: STRUCTURAL INSIGHTS INTO AIL-MEDIATED ADHESION IN Y PESTIS. STRUCTURE V. 19 1672 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
C8E A:183;
A:184;
B:1;
B:183;
B:184;
B:185;
B:186;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
306.438 C16 H34 O5 CCCCC...
GU4 YYJ C:1;
D:1;
Valid;
Valid;
none;
none;
submit data
974.737 n/a S(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3QRC 1.85 Å NON-ENZYME: OTHER THE CRYSTAL STRUCTURE OF AIL, THE ATTACHMENT INVASION LOCUS YERSINIA PESTIS, IN COMPLEX WITH THE HEPARIN ANALOGUE SUCROO CTASULFATE YERSINIA PESTIS BETA-BARREL PROTEIN ATTACHMENT AND INVASION VIRULENCE LAMIHEPARIN CELL INVASION
Ref.: STRUCTURAL INSIGHTS INTO AIL-MEDIATED ADHESION IN Y PESTIS. STRUCTURE V. 19 1672 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3QRC - GU4 YYJ n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3QRC - GU4 YYJ n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3QRC - GU4 YYJ n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GU4 YYJ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 GU4 YYJ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: GU4 YYJ; 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 : 3QRC; Ligand: GU4 YYJ; 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: 3qrc.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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