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Ligand · QRE

QRE · 2-[3,6-bis(oxidanyl)-9~{H}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl) carbamothioylamino]benzoic acid

QRE, 2-[3,6-bis(oxidanyl)-9~{H}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl) carbamothioylamino]benzoic acid (C27 H26 N2 O7 S, 522.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
QRE
Formula
C27 H26 N2 O7 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

QRE in 2 structures; the first of them:

  • 6ZW0 · Connectase MJ0548 from Methanocaldococcus jannaschii in complex with an MtrA-derived… · QRE A401 · binds ARG81, LEU83, ALA87, ARG89, LEU195, TYR198, ARG199, LEU202 and 4 more
  • 6ZW0 · Connectase MJ0548 from methanocaldococcus jannaschii in complex with an mtra-derived… · QRE A401 · binds ARG81, LEU83, ARG89, TYR198, ARG199, LEU202, MET213, ASN217 and 1 more

Residues it binds most

LEU 4, ARG 4, MET 4, TYR 4, ASN 3, ALA 2, ILE 1 (residue and the binding sites it lines).

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