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Ligand · SHH

SHH · Octanedioic acid hydroxyamide phenylamide

SHH, Octanedioic acid hydroxyamide phenylamide (C14 H20 N2 O3, 264.3 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
SHH
Formula
C14 H20 N2 O3
Class
ligand
Structures
5
PDB entries
5

Binding sites

SHH in 5 structures; the first of them:

  • 5EEI · Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with… · SHH A2004 · binds HIS463, PRO464, SER531, HIS573, HIS574, GLY582, PHE583, ASP612 and 6 more
  • 7ZZS · HDAC2 complexed with an inhibitory ligand · SHH A607 · binds GLY32, HIS33, PRO34, ASP104, HIS145, HIS146, GLY154, PHE155 and 7 more
  • 9GKV · Crystal Structure of Deacetylase (HdaH) from Vibrio cholerae in complex with SAHA · SHH B401 · binds ARG94, ARG95, HIS136, HIS137, GLY145, PHE146, ASP174, HIS176 and 5 more
  • 9GN6 · Crystal Structure of Deacetylase (HdaH) from Klebsiella pneumoniae subsp. ozaenae in… · SHH A404 · binds THR24, LEU25, PRO26, GLU101, HIS143, HIS144, GLY152, PHE153 and 7 more
  • 7JVU · Crystal structure of human histone deacetylase 8 (HDAC8) I45T mutation complexed with saha · SHH A404 · binds HIS142, HIS143, GLY151, PHE152, ASP178, HIS180, PHE208, ASP267 and 6 more

Residues it binds most

HIS 9, ASP 9, GLY 9, PHE 9, TYR 9, LEU 7, PRO 8, MET 2, ARG 1, SER 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • K · Potassium ion
  • EDO · 1,2-ethanediol
  • KK0 · (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one
  • KZF · 2-(cyclohexylazaniumyl)ethanesulfonate
  • CA · Calcium ion
  • MG · Magnesium ion
  • NA · Sodium ion
  • CL · Chloride ion
  • ACT · Acetate ion
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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