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Ligand · SMQ

SMQ · Simocyclinone C4

SMQ, Simocyclinone C4 (C37 H38 O15, 722.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
SMQ
Formula
C37 H38 O15
Class
ligand
Structures
2
PDB entries
1

Binding sites

SMQ in 2 structures; the first of them:

  • 2Y31 · Simocycli C4 bound form of TetR-like repressor SimR · SMQ A501 · binds TRP174, MET185, TRP188, MET189, GLY193, ALA196, GLN197, VAL200 and 16 more
  • 2Y31 · Simocyclinone C4 bound form of tetr-like repressor simr · SMQ A501 · binds TRP174, MET185, TRP188, MET189, GLY193, ALA196, GLN197, VAL200 and 16 more

Residues it binds most

GLN 4, LEU 4, TRP 4, VAL 4, PRO 4, MET 4, ALA 4, ASN 4, GLY 4, HIS 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • CL · Chloride ion
  • 1PE · Pentaethylene glycol
  • PG4 · Tetraethylene glycol

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