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Ligand · 8FL

8FL · 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate

8FL, 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate (C12 H20 N4 O8 P2 S, 442.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB…

Component
8FL
Formula
C12 H20 N4 O8 P2 S
Class
ligand
Structures
4
PDB entries
3

Binding sites

8FL in 4 structures; the first of them:

  • 5XUF · Crystal Structure of Transketolase in complex with hydroxylated TPP from Pichia Stipitis… · 8FL A704 · binds ALA30, HIS66, GLY114, PRO115, LEU116, GLY154, ASP155, GLY156 and 8 more
  • 8VZA · Crystal Structure of 2-Hydroxacyl-CoA Lyase/Synthase ApbHACS from Alphaproteobacteria… · 8FL A601 · binds TYR371, GLU391, GLY392, ALA393, ASN394, THR395, GLY418, THR419 and 20 more
  • 5XUF · Crystal structure of transketolase in complex with hydroxylated tpp from pichia stipitis… · 8FL A704 · binds ALA30, HIS66, GLY114, PRO115, LEU116, GLY154, ASP155, GLY156 and 7 more
  • 5XVT · Crystal structure of transketolase in complex with hydroxylated tpp from pichia stipitis… · 8FL A709 · binds ALA30, HIS66, GLY114, PRO115, LEU116, GLY154, ASP155, GLY156 and 7 more

Residues it binds most

GLY 7, ILE 7, ALA 7, ASN 7, HIS 7, GLU 7, MET 4, THR 4, VAL 4, ASP 7 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • PEG · Di(hydroxyethyl)ether
  • ACE · Acetyl group
  • ADP · Adenosine-5'-diphosphate
  • UQ3 · S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2R)-2-hydroxypropanethioate
  • MG · Magnesium ion
  • GOL · Glycerol

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