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Ligand · HUF

HUF · [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-methanoyl-7,8-dimethyl-2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate

HUF, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-methanoyl-7,8-dimethyl-2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate…

Component
HUF
Formula
C28 H35 N9 O16 P2
Class
ligand
Structures
6
PDB entries
3

Binding sites

HUF in 6 structures; the first of them:

  • 7E0G · Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418, FAD-adduct · HUF A1001 · binds ILE284, GLY285, SER286, GLY287, VAL288, SER289, GLY290, LEU307 and 33 more
  • 7NDW · ThyX-FADH2 soaked with 20 mM Formaldehyde · HUF A301 · binds ARG78, HIS79, ARG80, ILE81, SER166, ASN169, LEU173, ARG174 and 17 more
  • 7NDZ · ThyX reconstituted with N5-carbinolamine flavin · HUF A302 · binds ARG78, HIS79, ARG80, ILE81, ASN169, LEU173, ARG174, HIS178 and 12 more
  • 7E0G · Crystal structure of lysine specific demethylase 1 (LSD1) with tak- 418, FAD-adduct · HUF A1001 · binds ILE284, GLY285, GLY287, VAL288, SER289, LEU307, GLU308, ALA309 and 27 more
  • 7NDW · Thyx-FADH2 soaked with 20 mm formaldehyde · HUF A301 · binds ARG78, HIS79, ARG80, ILE81, ASN169, LEU173, ARG174, HIS178 and 12 more
  • 7NDZ · Thyx reconstituted with N5-carbinolamine flavin · HUF A302 · binds ARG78, HIS79, ARG80, ILE81, ASN169, LEU173, ARG174, HIS178 and 12 more

Residues it binds most

ARG 12, SER 12, ASN 10, ALA 11, GLU 12, ILE 12, HIS 10, LEU 12, THR 12, GLY 2 (residue and the binding sites it lines).

Found with

  • FDA · Dihydroflavine-adenine dinucleotide
  • PEG · Di(hydroxyethyl)ether
  • MG · Magnesium ion
  • PO4 · Phosphate ion
  • GOL · Glycerol
  • IMD · Imidazole
  • PG4 · Tetraethylene glycol
  • PGE · Triethylene glycol

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