Ligand · SM8
SM8 · Simocyclinone D8
SM8, Simocyclinone D8 (C46 H42 Cl N O18, 932.3 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.
- Component
- SM8
- Formula
- C46 H42 Cl N O18
- Class
- ligand
- Structures
- 6
- PDB entries
- 3
Binding sites
SM8 in 6 structures; the first of them:
- 2Y30 · Simocycli D8 bound form of TetR-like repressor SimR · SM8 A501 · binds TRP174, MET185, TRP188, MET189, SER192, GLY193, ALA196, GLN197 and 23 more
- 2Y3P · Crystal structure of N-terminal domain of GyrA with the antibiotic simocycli D8 · SM8 A901 · binds LEU41, LYS42, HIS45, THR88, ARG91, MET92, LEU98, LEU102 and 5 more
- 4CKL · Structure of 55 kDa N-terminal domain of E. coli DNA gyrase A subunit with simocycli D8… · SM8 A1522 · binds LYS42, VAL44, HIS45, HIS78, PRO79, HIS80, GLY81, ASP82 and 9 more
- 2Y30 · Simocyclinone D8 bound form of tetr-like repressor simr · SM8 A501 · binds TRP174, MET185, TRP188, MET189, SER192, GLY193, ALA196, GLN197 and 23 more
- 2Y3P · Crystal structure of N-terminal domain of gyra with the antibiotic simocyclinone D8 · SM8 A901 · binds LEU41, LYS42, HIS45, THR88, ARG91, MET92, LEU98, LEU102 and 5 more
- 4CKL · Structure of 55 kda N-terminal domain of E. COLI DNA gyrase a subunit with simocyclinone… · SM8 A1522 · binds LYS42, VAL44, HIS45, HIS78, PRO79, HIS80, GLY81, ASP82 and 9 more
Residues it binds most
LEU 10, VAL 8, ASN 10, GLY 10, HIS 10, THR 10, ALA 8, GLN 4, MET 8, TRP 4 (residue and the binding sites it lines).
Found with
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.