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Ligand · 3H9

3H9 · (S)-3-Hydroxyhexanoyl-CoA

3H9, (S)-3-Hydroxyhexanoyl-CoA (C27 H42 N7 O18 P3 S -4, 877.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
3H9
Formula
C27 H42 N7 O18 P3 S -4
Class
ligand
Structures
4
PDB entries
2

Binding sites

3H9 in 4 structures; the first of them:

  • 3ZWA · Crystal structure of rat peroxisomal multifunctional enzyme type 1 (RPMFE1) complexed… · 3H9 A1725 · binds PRO20, VAL21, ALA23, ALA59, GLY60, ALA61, ASP62, ILE63 and 20 more
  • 4FND · Crystal structure of the Mtb enoyl CoA isomerase in complex with hydroxyhexanoyl CoA · 3H9 A301 · binds LYS22, VAL23, ALA25, ARG56, VAL57, GLY60, GLY61, PHE62 and 13 more
  • 3ZWA · Crystal structure of rat peroxisomal multifunctional enzyme type 1 (RPMFE1) complexed… · 3H9 A1725 · binds PRO20, VAL21, ALA23, ALA59, GLY60, ALA61, ASP62, ILE63 and 20 more
  • 4FND · Crystal structure of the mtb enoyl CoA isomerase in complex with hydroxyhexanoyl CoA · 3H9 A301 · binds LYS22, VAL23, ALA25, ARG56, VAL57, GLY60, GLY61, PHE62 and 13 more

Residues it binds most

GLY 6, LEU 6, ALA 6, PHE 6, PRO 6, ILE 6, VAL 6, GLU 6, LYS 4, ARG 6 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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