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Ligand · 85T

85T · 4-amino-1-{2-cyano-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one

85T, 4-amino-1-{2-cyano-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one (C10 H15 N4 O13 P3, 492.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
85T
Formula
C10 H15 N4 O13 P3
Class
ligand
Structures
2
PDB entries
1

Binding sites

85T in 2 structures; the first of them:

  • 7S2Y · SAMHD1 HD domain bound to CNDAC · 85T A701 · binds GLN149, LEU150, ARG164, ARG206, ASN207, HIS210, HIS215, HIS233 and 8 more
  • 7S2Y · SAMHD1 hd domain bound to cndac · 85T A701 · binds GLN149, LEU150, ARG164, ARG206, ASN207, HIS210, HIS215, HIS233 and 8 more

Residues it binds most

HIS 8, ARG 8, ASP 8, GLN 8, TYR 8, LEU 8, LYS 8, ASN 6 (residue and the binding sites it lines).

Found with

  • DTP · 2'-deoxyadenosine 5'-triphosphate
  • GTP · Guanosine-5'-triphosphate
  • MG · Magnesium ion

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