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Ligand · GQR

GQR · (1~{S})-2,3-dihydro-1~{H}-inden-1-amine

GQR, (1~{S})-2,3-dihydro-1~{H}-inden-1-amine (C9 H11 N, 133.2 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…

Component
GQR
Formula
C9 H11 N
Class
ligand
Structures
2
PDB entries
1

Binding sites

GQR in 2 structures; the first of them:

  • 7D0T · Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in… · GQR A503 · binds PHE87, THR260, ILE263, ALA264, THR268, ALA328, CYS400, LEU437 and 1 more
  • 7D0T · Structure of the CYP102A1 haem domain with N-carboxybenzyl-L-prolyl-L- phenylalanine in… · GQR A503 · binds PHE87, THR260, ILE263, ALA264, THR268, ALA328, LEU437, THR438

Residues it binds most

THR 4, ALA 4, ILE 4, LEU 4, PHE 4, CYS 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • ZP6 · (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid
  • GOL · Glycerol

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