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Ligand · 56B

56B · 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-(5-O-phosphono-beta-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

56B, 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-(5-O-phosphono-beta-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (C17 H24 N5 O10 P, 489.4 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
56B
Formula
C17 H24 N5 O10 P
Class
ligand
Structures
3
PDB entries
3

Binding sites

56B in 3 structures; the first of them:

  • 7U91 · Crystal structure of queuine salvage enzyme DUF2419, in complex with… · 56B A401 · binds PRO46, TRP48, ASN72, PHE73, CYS74, PHE75, ARG80, ASP91 and 15 more
  • 7ULC · Crystal structure of queuine salvage enzyme DUF2419 mutant D231N, in complex with… · 56B A401 · binds PRO46, TRP48, ASN72, PHE73, PHE75, GLY92, TYR93, TRP94 and 12 more
  • 9DEU · Crystal structure of epoxyqueuosine reductase QueH in complex with queuosine · 56B A201 · binds CYS10, ASP13, ARG42, SER117, ARG119, GLN166, ASN167, TYR168 and 1 more

Residues it binds most

TRP 4, ASP 5, PHE 4, TYR 5, LYS 4, ASN 5, GLN 5, CYS 3, GLY 4, ILE 4 (residue and the binding sites it lines).

Found with

  • PEG · Di(hydroxyethyl)ether
  • SF4 · Iron/sulfur cluster
  • ZN · Zinc ion
  • CL · Chloride ion
  • NH4 · Ammonium ion

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