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Ligand · U1Q

U1Q · 5-fluoranylpyridin-2-amine

U1Q, 5-fluoranylpyridin-2-amine (C5 H5 F N2, 112.1 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with…

Component
U1Q
Formula
C5 H5 F N2
Class
ligand
Structures
5
PDB entries
4

Binding sites

U1Q in 5 structures; the first of them:

  • 7BKV · Endothiapepsin structure obtained at 100K with fragment AC39729 bound · U1Q A401 · binds ASP35, TYR79, ASP81, SER83, PHE116, LEU125, ASP219, GLY221 and 1 more
  • 7H57 · Crystal structure of endothiapepsin PF_cryo1 in complex with AC39729 at 100 K · U1Q A403 · binds ASP35, TYR79, ASP81, SER83, PHE116, LEU125, GLY221, THR222
  • 7H59 · Crystal structure of endothiapepsin IS_cryo3 in complex with AC39729 at 100 K · U1Q A403 · binds ASP35, TYR79, ASP81, SER83, PHE116, LEU125, GLY221, THR222
  • 7H5A · Crystal structure of endothiapepsin IS_cryo1 in complex with AC39729 at 100 K · U1Q A403 · binds ASP35, TYR79, ASP81, SER83, PHE116, LEU125, GLY221, THR222
  • 7H5B · Crystal structure of endothiapepsin IS_RT2 in complex with AC39729 at 296 K · U1Q A402 · binds ASP35, GLY37, TYR79, ASP81, SER83, PHE116, LEU125, ASP219 and 2 more
  • 7BKV · Endothiapepsin structure obtained at 100K with fragment AC39729 bound · U1Q A401 · binds ASP35, TYR79, ASP81, PHE116, LEU125, GLY221, THR222

Residues it binds most

ASP 6, GLY 6, LEU 6, PHE 6, THR 6, TYR 6, SER 5 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • 1PE · Pentaethylene glycol
  • PEG · Di(hydroxyethyl)ether

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