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Ligand · RQD

RQD · methyl 4-fluoro-L-phenylalaninate

RQD, methyl 4-fluoro-L-phenylalaninate (C10 H12 F N O2, 197.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
RQD
Formula
C10 H12 F N O2
Class
ligand
Structures
4
PDB entries
3

Binding sites

RQD in 4 structures; the first of them:

  • 5R1X · PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry… · RQD A401 · binds ASP33, ASP35, GLY37, TYR79, GLY80, ASP81, SER83, PHE116 and 5 more
  • 8OGY · PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D04 · RQD A301 · binds THR117, ILE120, ASN121, ALA124, VAL228, LEU240, THR241, GLU242 and 1 more
  • 5R1X · Pandda analysis group deposition -- endothiapepsin in complex with fragment F2X-entry… · RQD A401 · binds ASP33, ASP35, TYR79, GLY80, SER83, PHE116, LEU125, ASP219 and 2 more
  • 5RBV · Pandda analysis group deposition -- endothiapepsin changed state model for fragment… · RQD A401 · binds ASP35, GLY37, TYR79, GLY80, ASP81, SER83, PHE116, LEU125 and 3 more

Residues it binds most

ASP 5, GLY 3, ILE 4, THR 5, LEU 4, SER 4, ALA 3, PHE 3, TYR 3, ASN 1 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • PG4 · Tetraethylene glycol

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