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;
submit data
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 473 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 1068 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 922 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: 11
This union binding pocket(no: 1) in the query (biounit: 3t95.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3DAG FEG 0.03808 0.40012 2.68657
2 5K8P 6R8 0.008761 0.41053 3.8806
3 1JU4 BEZ 0.009318 0.4153 5.97015
4 2VJM COA 0.03408 0.40268 5.97015
5 1UA4 AMP 0.002115 0.40723 6.26866
6 3O75 F1X 0.002509 0.40847 15.4412
7 4YMU ARG 0.004881 0.40102 17.9167
8 3LMS GLY 0.002809 0.43155 21.6216
9 5X8Q 82R 0.02476 0.40075 31.8182
10 5XSS XYP 0.000002658 0.57825 31.9403
11 2H3H BGC 0.000003972 0.53807 41.5335
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