Receptor
PDB id Resolution Class Description Source Keywords
3OQJ 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF B. LICHENIFORMIS CDPS YVMC-BLIC IN COMP CAPSO BACILLUS LICHENIFORMIS TRNA ROSSMANN FOLD LIGASE
Ref.: STRUCTURAL BASIS FOR NONRIBOSOMAL PEPTIDE SYNTHESIS AMINOACYL-TRNA SYNTHETASE PARALOG. PROC.NATL.ACAD.SCI.USA V. 108 3912 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3CX A:258;
B:258;
Valid;
Valid;
none;
none;
submit data
237.316 C9 H19 N O4 S C1CCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3OQJ 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF B. LICHENIFORMIS CDPS YVMC-BLIC IN COMP CAPSO BACILLUS LICHENIFORMIS TRNA ROSSMANN FOLD LIGASE
Ref.: STRUCTURAL BASIS FOR NONRIBOSOMAL PEPTIDE SYNTHESIS AMINOACYL-TRNA SYNTHETASE PARALOG. PROC.NATL.ACAD.SCI.USA V. 108 3912 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3OQJ - 3CX C9 H19 N O4 S C1CCC(CC1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3OQJ - 3CX C9 H19 N O4 S C1CCC(CC1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3OQJ - 3CX C9 H19 N O4 S C1CCC(CC1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3CX; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 3FX 1 1
2 3CX 1 1
3 NHE 0.466667 0.836364
4 CXS 0.4375 0.849057
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3OQJ; Ligand: 3CX; 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: 3oqj.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3OQJ; Ligand: 3CX; 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: 3oqj.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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