Receptor
PDB id Resolution Class Description Source Keywords
5X3R 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE SMCR COMPLEXED WITH QSTATIN VIBRIO VULNIFICUS QUORUM SENSING INHIBITOR DNA BINDING PROTEIN
Ref.: QSTATIN, A SELECTIVE INHIBITOR OF QUORUM SENSING INVIBRIOSPECIES MBIO V. 9 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7Y3 C:601;
A:601;
B:601;
D:601;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
293.161 C7 H5 Br N2 O2 S2 c1cnn...
SO4 B:602;
A:602;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5X3R 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE SMCR COMPLEXED WITH QSTATIN VIBRIO VULNIFICUS QUORUM SENSING INHIBITOR DNA BINDING PROTEIN
Ref.: QSTATIN, A SELECTIVE INHIBITOR OF QUORUM SENSING INVIBRIOSPECIES MBIO V. 9 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 5X3R - 7Y3 C7 H5 Br N2 O2 S2 c1cnn(c1)S....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 5X3R - 7Y3 C7 H5 Br N2 O2 S2 c1cnn(c1)S....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5X3R - 7Y3 C7 H5 Br N2 O2 S2 c1cnn(c1)S....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 7Y3; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 7Y3 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5X3R; Ligand: 7Y3; 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: 5x3r.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5X3R; Ligand: 7Y3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5x3r.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5X3R; Ligand: 7Y3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5x3r.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5X3R; Ligand: 7Y3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5x3r.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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