Receptor
PDB id Resolution Class Description Source Keywords
7BZJ 2 Å EC: 6.1.1.4 THE DISCOVERY OF BENZHYDROL-OXABOROLE HYBRID DERIVATIVES AS TRNA SYNTHETASE INHIBITORS STREPTOCOCCUS PNEUMONIAE (STRAIN ATCC SPAIN 23F-1) LEUCYL-TRNA SYNTHETASE PNEUMONIA RNA BINDING PROTEIN-INHIBCOMPLEX
Ref.: DISCOVERY OF BENZHYDROL-OXABOROLE DERIVATIVES AS STREPTOCOCCUS PNEUMONIAE LEUCYL-TRNA SYNTHETASE INH BIOORG.MED.CHEM. 15871 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FGX A:501;
 Valid;
 none;
 submit data
655.424 C28 H31 B N5 O9 P S [B-]1...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
7BZJ 2 Å EC: 6.1.1.4 THE DISCOVERY OF BENZHYDROL-OXABOROLE HYBRID DERIVATIVES AS TRNA SYNTHETASE INHIBITORS STREPTOCOCCUS PNEUMONIAE (STRAIN ATCC SPAIN 23F-1) LEUCYL-TRNA SYNTHETASE PNEUMONIA RNA BINDING PROTEIN-INHIBCOMPLEX
Ref.: DISCOVERY OF BENZHYDROL-OXABOROLE DERIVATIVES AS STREPTOCOCCUS PNEUMONIAE LEUCYL-TRNA SYNTHETASE INH BIOORG.MED.CHEM. 15871 2020
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 7BZJ - FGX C28 H31 B N5 O9 P S [B-]12(CCc....
2 4K47 - WMP C24 H24 B N5 O9 P [B-]12(c3c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 7BZJ - FGX C28 H31 B N5 O9 P S [B-]12(CCc....
2 4K47 - WMP C24 H24 B N5 O9 P [B-]12(c3c....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2AJH - MET C5 H11 N O2 S CSCC[C@@H]....
2 7BZJ - FGX C28 H31 B N5 O9 P S [B-]12(CCc....
3 4K47 - WMP C24 H24 B N5 O9 P [B-]12(c3c....
4 5AGT - A2H C20 H22 B Cl N6 O9 P [B-]12(c3c....
5 5AGS - 38Y C20 H25 B Br N6 O9 P B1(O[C@@H]....
6 5AGR - A52 C20 H23 B N6 O9 P [B-]12(c3c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FGX; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 FGX 1 1
2 WMP 0.475862 0.886076
Similar Ligands (3D)
Ligand no: 1; Ligand: FGX; 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 : 7BZJ; Ligand: FGX; 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: 7bzj.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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