Receptor
PDB id Resolution Class Description Source Keywords
2V57 1.9 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE TETR-LIKE TRANSCRIPTIONAL REGULATOR LFRR FROM MYCOBACTERIUM SMEGMATIS IN COMPLEX W ITH PROFLAVINE MYCOBACTERIUM SMEGMATIS TETR LFRR REPRESSOR DNA-BINDING TRANSCRIPTION TRANSCRIPTION REGULATION
Ref.: STRUCTURAL PLASTICITY AND DISTINCT DRUG-BINDING MODES OF LFRR, A MYCOBACTERIAL EFFLUX PUMP REGULATOR. J.BACTERIOL. V. 191 7531 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IPA A:1189;
C:1189;
Invalid;
Invalid;
none;
none;
submit data
60.095 C3 H8 O CC(C)...
PRL A:1188;
C:1187;
Valid;
Valid;
none;
none;
Kd = 4.3 uM
209.247 C13 H11 N3 c1cc(...
SO4 B:1187;
B:1188;
C:1188;
D:1187;
D:1188;
D:1189;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2V57 1.9 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE TETR-LIKE TRANSCRIPTIONAL REGULATOR LFRR FROM MYCOBACTERIUM SMEGMATIS IN COMPLEX W ITH PROFLAVINE MYCOBACTERIUM SMEGMATIS TETR LFRR REPRESSOR DNA-BINDING TRANSCRIPTION TRANSCRIPTION REGULATION
Ref.: STRUCTURAL PLASTICITY AND DISTINCT DRUG-BINDING MODES OF LFRR, A MYCOBACTERIAL EFFLUX PUMP REGULATOR. J.BACTERIOL. V. 191 7531 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 2V57 Kd = 4.3 uM PRL C13 H11 N3 c1cc(cc2c1....
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 2V57 Kd = 4.3 uM PRL C13 H11 N3 c1cc(cc2c1....
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 2V57 Kd = 4.3 uM PRL C13 H11 N3 c1cc(cc2c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PRL; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PRL 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2V57; Ligand: PRL; 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: 2v57.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2V57; Ligand: PRL; 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: 2v57.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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