Receptor
PDB id Resolution Class Description Source Keywords
3P9T 2.02 Å NON-ENZYME: TRANSCRIPT_TRANSLATE SMET-TRICLOSAN COMPLEX STENOTROPHOMONAS MALTOPHILIA TRANSCRIPTION REPRESSOR ANTIBACTERIAL ANTIFUNGAL TRANSCRIANTIBIOTIC COMPLEX
Ref.: THE BINDING OF TRICLOSAN TO SMET, THE REPRESSOR OF MULTIDRUG EFFLUX PUMP SMEDEF, INDUCES ANTIBIOTIC RE IN STENOTROPHOMONAS MALTOPHILIA. PLOS PATHOG. V. 7 02103 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:220;
B:220;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
TCL A:221;
A:222;
Valid;
Valid;
none;
none;
Kd = 0.63 uM
289.542 C12 H7 Cl3 O2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3P9T 2.02 Å NON-ENZYME: TRANSCRIPT_TRANSLATE SMET-TRICLOSAN COMPLEX STENOTROPHOMONAS MALTOPHILIA TRANSCRIPTION REPRESSOR ANTIBACTERIAL ANTIFUNGAL TRANSCRIANTIBIOTIC COMPLEX
Ref.: THE BINDING OF TRICLOSAN TO SMET, THE REPRESSOR OF MULTIDRUG EFFLUX PUMP SMEDEF, INDUCES ANTIBIOTIC RE IN STENOTROPHOMONAS MALTOPHILIA. PLOS PATHOG. V. 7 02103 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 3P9T Kd = 0.63 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
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 3P9T Kd = 0.63 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
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 3P9T Kd = 0.63 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TCL; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 TCL 1 1
2 FT3 0.666667 0.758621
3 FT2 0.652174 0.88
4 FT1 0.652174 0.916667
5 FB4 0.555556 0.709677
6 JPM 0.555556 0.88
7 JPJ 0.545455 0.88
8 JPA 0.535714 0.88
9 JPL 0.526316 0.758621
10 8PC 0.517241 0.6875
11 DCN 0.511111 1
12 JPN 0.508475 0.846154
13 CH8 0.489362 1
14 J47 0.454545 0.814815
15 43F 0.418182 0.777778
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3P9T; Ligand: TCL; 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: 3p9t.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3P9T; Ligand: TCL; 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: 3p9t.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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