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Ligand · FDX

FDX · (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid

FDX, (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid (C15 H25 N3 O6 S, 375.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB…

Component
FDX
Formula
C15 H25 N3 O6 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

FDX in 6 structures; the first of them:

  • 7T7D · MA-1-206-OXA-23 30s complex · FDX A301 · binds ALA78, SER79, KCX82, PHE110, ALA112, TRP113, LEU125, SER126 and 7 more
  • 7T7E · MA-1-206-OXA-23 3 minute complex · FDX A301 · binds ALA78, SER79, KCX82, PHE110, ALA112, TRP113, LEU125, SER126 and 8 more
  • 7T7F · MA-1-206-OXA-23 25 minute complex · FDX A301 · binds ALA78, SER79, KCX82, PHE110, ALA112, TRP113, LYS124, LEU125 and 8 more
  • 7T7D · Ma-1-206-oxa-23 30S complex · FDX A301 · binds ALA78, SER79, KCX82, PHE110, ALA112, TRP113, LEU125, SER126 and 7 more
  • 7T7E · Ma-1-206-oxa-23 3 minute complex · FDX A301 · binds ALA78, SER79, KCX82, PHE110, ALA112, TRP113, LEU125, SER126 and 8 more
  • 7T7F · Ma-1-206-oxa-23 25 minute complex · FDX A301 · binds ALA78, SER79, KCX82, PHE110, ALA112, TRP113, LYS124, LEU125 and 8 more

Residues it binds most

ALA 6, LEU 6, SER 6, TRP 6, ARG 6, GLY 6, KCX 6, MET 6, PHE 6, THR 6 (residue and the binding sites it lines).

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