Receptor
PDB id Resolution Class Description Source Keywords
3V78 2.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF TRANSCRIPTIONAL REGULATOR MYCOBACTERIUM TUBERCULOSIS HELIX-TURN-HELIX DNA BINDING DOMAIN TRANSCRIPTION
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF THE TRANSCRIP REGULATOR RV3066 OF MYCOBACTERIUM TUBERCULOSIS. NUCLEIC ACIDS RES. V. 40 9340 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ET A:301;
B:301;
Valid;
Valid;
none;
none;
Kd = 2.9 uM
314.404 C21 H20 N3 CC[n+...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3V78 2.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF TRANSCRIPTIONAL REGULATOR MYCOBACTERIUM TUBERCULOSIS HELIX-TURN-HELIX DNA BINDING DOMAIN TRANSCRIPTION
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF THE TRANSCRIP REGULATOR RV3066 OF MYCOBACTERIUM TUBERCULOSIS. NUCLEIC ACIDS RES. V. 40 9340 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 3V78 Kd = 2.9 uM ET C21 H20 N3 CC[n+]1c2c....
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 3V78 Kd = 2.9 uM ET C21 H20 N3 CC[n+]1c2c....
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 3V78 Kd = 2.9 uM 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 : 3V78; 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: 3v78.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3V78; 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: 3v78.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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