Receptor
PDB id Resolution Class Description Source Keywords
3T95 1.75 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF LSRB FROM YERSINIA PESTIS COMPLEXED WIT AUTOINDUCER-2 YERSINIA PESTIS PERIPLASMIC BINDING PROTEIN FOLD PERIPLASMIC SPACE SIGNALIPROTEIN
Ref.: THE STRUCTURE OF LSRB FROM YERSINIA PESTIS COMPLEXE AUTOINDUCER-2. ACTA CRYSTALLOGR.,SECT.F V. 67 1501 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PAV A:400;
Valid;
none;
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150.13 C5 H10 O5 C[C@@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3T95 1.75 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF LSRB FROM YERSINIA PESTIS COMPLEXED WIT AUTOINDUCER-2 YERSINIA PESTIS PERIPLASMIC BINDING PROTEIN FOLD PERIPLASMIC SPACE SIGNALIPROTEIN
Ref.: THE STRUCTURE OF LSRB FROM YERSINIA PESTIS COMPLEXE AUTOINDUCER-2. ACTA CRYSTALLOGR.,SECT.F V. 67 1501 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 3T95 - PAV C5 H10 O5 C[C@@]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 1205 families.
1 1TJY - PAV C5 H10 O5 C[C@@]1(C(....
2 3EJW - PAV C5 H10 O5 C[C@@]1(C(....
3 3T95 - PAV C5 H10 O5 C[C@@]1(C(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 1TJY - PAV C5 H10 O5 C[C@@]1(C(....
2 3EJW - PAV C5 H10 O5 C[C@@]1(C(....
3 3T95 - PAV C5 H10 O5 C[C@@]1(C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PAV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PAV 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3T95; Ligand: PAV; 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: 3t95.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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