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Ligand · N4R

N4R · Nexturastat A

N4R, Nexturastat A (C19 H23 N3 O3, 341.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
N4R
Formula
C19 H23 N3 O3
Class
ligand
Structures
2
PDB entries
2

Binding sites

N4R in 2 structures; the first of them:

  • 5G0I · Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker cleaved) in complex with… · N4R A1808 · binds HIS463, PRO464, SER531, PRO571, HIS574, GLY582, PHE583, HIS614 and 4 more
  • 5G0J · Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker intact) in complex with… · N4R A1817 · binds HIS463, PRO464, SER531, HIS573, HIS574, GLY582, PHE583, ASP612 and 6 more

Residues it binds most

HIS 5, PRO 5, PHE 5, ASP 5, GLY 5, SER 5, TYR 5, LEU 3, LYS 2, TRP 2 (residue and the binding sites it lines).

Found with

  • K · Potassium ion
  • ZN · Zinc ion
  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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