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Ligand · 1H1

1H1 · ethyl (3R)-4-cyano-3-hydroxybutanoate

1H1, ethyl (3R)-4-cyano-3-hydroxybutanoate (C7 H11 N O3, 157.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
1H1
Formula
C7 H11 N O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

1H1 in 2 structures; the first of them:

  • 4IXT · Structure of a 37-fold mutant of halohydrin dehalogenase (HheC) bound to ethyl… · 1H1 A301 · binds PHE12, TRP86, SER132, ALA134, TRP139, LEU142, TYR145, PRO175 and 5 more
  • 4IXT · Structure of a 37-fold mutant of halohydrin dehalogenase (hhec) bound to ethyl… · 1H1 A301 · binds PHE12, TRP86, SER132, ALA134, TRP139, LEU142, TYR145, PRO175 and 5 more

Residues it binds most

TYR 2, TRP 2, ALA 2, ASN 2, GLY 2, LEU 2, PHE 2, PRO 2, SER 2, VAL 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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