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Ligand · HF4

HF4 · 4-amino-1-{5-O-[(S)-hydroxy{[(r)-hydroxy(phosphonooxy) phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one

HF4, 4-amino-1-{5-O-[(S)-hydroxy{[(r)-hydroxy(phosphonooxy) phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one (C9 H16 N3 O14 P3, 483.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries).…

Component
HF4
Formula
C9 H16 N3 O14 P3
Class
ligand
Structures
2
PDB entries
2

Binding sites

HF4 in 2 structures; the first of them:

  • 8K8S · F8-A22-E4 complex of MPXV in complex with DNA and Ara-CTP · HF4 A1102 · binds ASP549, TYR550, ASN551, SER552, LEU553, TYR554, PRO555, ARG634 and 9 more
  • 6DW3 · SAMHD1 bound to cytarabine-tp in the catalytic pocket · HF4 D701 · binds GLN149, LEU150, ARG164, ARG206, ASN207, HIS210, HIS215, HIS233 and 8 more

Residues it binds most

HIS 4, ARG 5, TYR 5, ASP 5, GLN 4, ASN 5, LEU 5, LYS 5, DG 1, DC 1 (residue and the binding sites it lines).

Found with

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

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