Receptor
PDB id Resolution Class Description Source Keywords
2BE5 2.4 Å EC: 2.7.7.6 CRYSTAL STRUCTURE OF THE T. THERMOPHILUS RNA POLYMERASE HOLOENZYME IN COMPLEX WITH INHIBITOR TAGETITOXIN THERMUS THERMOPHILUS RNA POLYMERASE HOLOENZYME TAGETITOXIN ANTIBIOTIC TRANSCRIPTION REGULATION RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS TRANSFERASE
Ref.: STRUCTURAL BASIS FOR TRANSCRIPTION INHIBITION BY TAGETITOXIN NAT.STRUCT.MOL.BIOL. V. 12 1086 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG C:9004;
D:9003;
N:9005;
N:9006;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
TGT D:9001;
N:9002;
 Valid;
Valid;
 none;
none;
 submit data
416.298 C11 H17 N2 O11 P S CC(=O...
ZN D:9058;
D:9112;
N:9059;
N:9113;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BE5 2.4 Å EC: 2.7.7.6 CRYSTAL STRUCTURE OF THE T. THERMOPHILUS RNA POLYMERASE HOLOENZYME IN COMPLEX WITH INHIBITOR TAGETITOXIN THERMUS THERMOPHILUS RNA POLYMERASE HOLOENZYME TAGETITOXIN ANTIBIOTIC TRANSCRIPTION REGULATION RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS TRANSFERASE
Ref.: STRUCTURAL BASIS FOR TRANSCRIPTION INHIBITION BY TAGETITOXIN NAT.STRUCT.MOL.BIOL. V. 12 1086 2005
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2A6H - STD C32 H44 N2 O9 C[C@H]1[C@....
2 2A69 - RPT C47 H64 N4 O12 Cc1c(c2c3c....
3 2A68 - RBT C46 H62 N4 O11 Cc1c(c2c3c....
4 2BE5 - TGT C11 H17 N2 O11 P S CC(=O)O[C@....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2A6H - STD C32 H44 N2 O9 C[C@H]1[C@....
2 2A69 - RPT C47 H64 N4 O12 Cc1c(c2c3c....
3 2A68 - RBT C46 H62 N4 O11 Cc1c(c2c3c....
4 2BE5 - TGT C11 H17 N2 O11 P S CC(=O)O[C@....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2A6H - STD C32 H44 N2 O9 C[C@H]1[C@....
2 2A69 - RPT C47 H64 N4 O12 Cc1c(c2c3c....
3 2A68 - RBT C46 H62 N4 O11 Cc1c(c2c3c....
4 2BE5 - TGT C11 H17 N2 O11 P S CC(=O)O[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TGT; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TGT 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TGT; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BE5; Ligand: TGT; 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: 2be5.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2BE5; Ligand: TGT; 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: 2be5.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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