Receptor
PDB id Resolution Class Description Source Keywords
6CC0 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF QSCR BOUND TO C12-HOMOSERINE LACTONE PSEUDOMONAS AERUGINOSA LUXR-TYPE AHL RECEPTOR PSEUDOMONAS AERUGINOSA QSCR TRANSCR
Ref.: MECHANISM OF AGONISM AND ANTAGONISM OF THE PSEUDOMO AERUGINOSA QUORUM SENSING REGULATOR QSCR WITH NON-N LIGANDS. MOL. MICROBIOL. V. 108 240 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EWM A:301;
B:301;
 Valid;
Valid;
 none;
none;
 submit data
283.406 C16 H29 N O3 CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6CC0 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF QSCR BOUND TO C12-HOMOSERINE LACTONE PSEUDOMONAS AERUGINOSA LUXR-TYPE AHL RECEPTOR PSEUDOMONAS AERUGINOSA QSCR TRANSCR
Ref.: MECHANISM OF AGONISM AND ANTAGONISM OF THE PSEUDOMO AERUGINOSA QUORUM SENSING REGULATOR QSCR WITH NON-N LIGANDS. MOL. MICROBIOL. V. 108 240 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 6CC0 - EWM C16 H29 N O3 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 6CC0 - EWM C16 H29 N O3 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 6CC0 - EWM C16 H29 N O3 CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: EWM; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 HTF 1 1
2 EWM 1 1
3 HL0 1 1
4 HL6 0.844444 0.97619
5 OHN 0.672727 0.913043
6 K4G 0.672727 0.913043
7 3M5 0.672727 0.913043
8 HL4 0.659574 0.904762
9 LAE 0.589286 0.891304
10 HT5 0.553571 0.8
11 A9M 0.442308 0.625
12 140 0.407407 0.680851
Similar Ligands (3D)
Ligand no: 1; Ligand: EWM; 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 : 6CC0; Ligand: EWM; 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: 6cc0.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6CC0; Ligand: EWM; 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: 6cc0.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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