Receptor
PDB id Resolution Class Description Source Keywords
4ng2 2.41 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF LASR LBD-QSLA COMPLEX FROM PSEUDOMONAS PSEUDOMONAS AERUGINOSA QUORUM SENSING ANTIACTIVATOR TRANSCRIPTION REGULATOR
Ref.: QSIA DISRUPTS LASR DIMERIZATION IN ANTIACTIVATION O BACTERIAL QUORUM SENSING PROC.NATL.ACAD.SCI.USA V. 110 20765 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OHN B:201;
A:201;
D:201;
C:201;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
297.39 C16 H27 N O4 CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NG2 2.41 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF LASR LBD-QSLA COMPLEX FROM PSEUDOMONAS PSEUDOMONAS AERUGINOSA QUORUM SENSING ANTIACTIVATOR TRANSCRIPTION REGULATOR
Ref.: QSIA DISRUPTS LASR DIMERIZATION IN ANTIACTIVATION O BACTERIAL QUORUM SENSING PROC.NATL.ACAD.SCI.USA V. 110 20765 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 4NG2 - OHN C16 H27 N O4 CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 4NG2 - OHN C16 H27 N O4 CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 4NG2 - OHN C16 H27 N O4 CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: OHN; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 3M5 1 1
2 OHN 1 1
3 K4G 1 1
4 LAE 0.862745 0.978261
5 HL0 0.672727 0.913043
6 EWM 0.672727 0.913043
7 HTF 0.672727 0.913043
8 HL6 0.589286 0.891304
9 HL4 0.527273 0.826087
Similar Ligands (3D)
Ligand no: 1; Ligand: OHN; 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 : 4NG2; Ligand: OHN; 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: 4ng2.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4NG2; Ligand: OHN; 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: 4ng2.bio4) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4NG2; Ligand: OHN; 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: 4ng2.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4NG2; Ligand: OHN; 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: 4ng2.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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