Receptor
PDB id Resolution Class Description Source Keywords
2UXI 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE PHLORETIN IN COMPLEX WITH TTGR PSEUDOMONAS PUTIDA TRANSCRIPTION DNA-BINDING TETR FAMILY
Ref.: CRYSTAL STRUCTURES OF MULTIDRUG BINDING PROTEIN TTG COMPLEX WITH ANTIBIOTICS AND PLANT ANTIMICROBIALS. J.MOL.BIOL. V. 369 829 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G50 A:1211;
B:1211;
B:1212;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 0.05 uM
274.269 C15 H14 O5 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2UXI 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE PHLORETIN IN COMPLEX WITH TTGR PSEUDOMONAS PUTIDA TRANSCRIPTION DNA-BINDING TETR FAMILY
Ref.: CRYSTAL STRUCTURES OF MULTIDRUG BINDING PROTEIN TTG COMPLEX WITH ANTIBIOTICS AND PLANT ANTIMICROBIALS. J.MOL.BIOL. V. 369 829 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 309 families.
1 2UXH - QUE C15 H10 O7 c1cc(c(cc1....
2 2UXU Kd = 18 uM NAR C15 H12 O5 c1cc(ccc1[....
3 2UXI Kd = 0.05 uM G50 C15 H14 O5 c1cc(ccc1C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 2UXH - QUE C15 H10 O7 c1cc(c(cc1....
2 2UXU Kd = 18 uM NAR C15 H12 O5 c1cc(ccc1[....
3 2UXI Kd = 0.05 uM G50 C15 H14 O5 c1cc(ccc1C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 221 families.
1 2UXH - QUE C15 H10 O7 c1cc(c(cc1....
2 2UXU Kd = 18 uM NAR C15 H12 O5 c1cc(ccc1[....
3 2UXI Kd = 0.05 uM G50 C15 H14 O5 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: G50; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 G50 1 1
2 HPP 0.477273 0.62069
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2UXI; Ligand: G50; 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: 2uxi.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2UXI; Ligand: G50; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 2uxi.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 6RQP OLC 4.36681
Pocket No.: 3; Query (leader) PDB : 2UXI; Ligand: G50; 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: 2uxi.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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