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Ligand · 4SD

4SD · 3-hydroxypentanedinitrile

4SD, 3-hydroxypentanedinitrile (C5 H6 N2 O, 110.1 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 found with it.

Component
4SD
Formula
C5 H6 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

4SD in 2 structures; the first of them:

  • 4ZU3 · Halohydrin hydrogen-halide-lyases, HheB · 4SD A301 · binds TYR19, PHE71, GLY117, SER118, GLN125, TYR131, GLN161, HIS162 and 5 more
  • 4ZU3 · Halohydrin hydrogen-halide-lyases, hheb · 4SD A301 · binds TYR19, PHE71, GLY117, SER118, GLN125, TYR131, GLN161, HIS162 and 5 more

Residues it binds most

TYR 12, GLN 12, PHE 12, THR 14, TRP 14, ASN 12, GLY 12, HIS 12, SER 12, ARG 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • SO4 · Sulfate ion

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