Receptor
PDB id Resolution Class Description Source Keywords
3VVY 1.63 Å NON-ENZYME: OTHER CRYSTAL STRUCUTURE OF THE ETHIDIUM-BOUND FORM OF RAMR (TRANS REGURATOR OF TETR FAMILY) FROM SALMONELLA TYPHIMURIUM SALMONELLA TYPHIMURIUM TETR TRANSCRIPTIONAL REGULATOR FAMILY HTH-MOTIF TRANSCRIPTREGULATOR DNA BINDING TRANSCRIPTION REGULATOR
Ref.: THE CRYSTAL STRUCTURE OF MULTIDRUG-RESISTANCE REGUL WITH MULTIPLE DRUGS NAT COMMUN V. 4 2078 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ET A:301;
B:301;
D:301;
C:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
314.404 C21 H20 N3 CC[n+...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VVY 1.63 Å NON-ENZYME: OTHER CRYSTAL STRUCUTURE OF THE ETHIDIUM-BOUND FORM OF RAMR (TRANS REGURATOR OF TETR FAMILY) FROM SALMONELLA TYPHIMURIUM SALMONELLA TYPHIMURIUM TETR TRANSCRIPTIONAL REGULATOR FAMILY HTH-MOTIF TRANSCRIPTREGULATOR DNA BINDING TRANSCRIPTION REGULATOR
Ref.: THE CRYSTAL STRUCTURE OF MULTIDRUG-RESISTANCE REGUL WITH MULTIPLE DRUGS NAT COMMUN V. 4 2078 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3VW1 - CVI C25 H30 N3 CN(C)c1ccc....
2 3VW2 - BER C20 H18 N O4 COc1ccc2cc....
3 3VVY - ET C21 H20 N3 CC[n+]1c2c....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3VW1 - CVI C25 H30 N3 CN(C)c1ccc....
2 3VW2 - BER C20 H18 N O4 COc1ccc2cc....
3 3VVY - ET C21 H20 N3 CC[n+]1c2c....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3VW1 - CVI C25 H30 N3 CN(C)c1ccc....
2 3VW2 - BER C20 H18 N O4 COc1ccc2cc....
3 3VVY - ET C21 H20 N3 CC[n+]1c2c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ET; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 ET 1 1
2 PRM 0.641791 0.705882
3 DCU 0.6 0.660377
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VVY; Ligand: ET; 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: 3vvy.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3VVY; Ligand: ET; 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: 3vvy.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3VVY; Ligand: ET; 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: 3vvy.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3VVY; Ligand: ET; 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: 3vvy.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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