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Ligand · MDH

MDH · N-methyldehydrobutyrine

MDH, N-methyldehydrobutyrine (C5 H9 N O2, 115.1 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
MDH
Formula
C5 H9 N O2
Class
ligand
Structures
6
PDB entries
6

Binding sites

MDH in 6 structures; the first of them:

  • 1AY3 · Nodularin from nodularia spumigena · MDH A5
  • 1EVC · NMR structure of cyanobacterial toxin, phosphatase-1/-2A inhibitor · MDH A5
  • 1EVD · NMR structure of cyanobacterial toxin, phosphatase-1/-2A inhibitor · MDH A5
  • 2BCD · X-ray crystal structure of protein phosphatase-1 with the marine toxin motuporin bound · MDH B5 · binds ARG96, TYR272, CYS273, GLU275, PHE276
  • 3E7A · Crystal structure of protein phosphatase-1 bound to the natural toxin nodularin-R · MDH C5 · binds ARG96, CYS273, GLU275, PHE276
  • 3EGH · Crystal structure of a complex between protein phosphatase 1 alpha (PP1), the PP1 binding… · MDH E5 · binds ARG96, CYS273, GLU275, PHE276

Residues it binds most

ARG 5, CYS 5, GLU 5, PHE 5, TYR 1 (residue and the binding sites it lines).

Found with

  • ACB · 3-methyl-beta-D-aspartic acid
  • FGA · Gamma-D-glutamic acid
  • 1ZN · (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
  • MN · Manganese (II) ion
  • GOL · Glycerol
  • MFD · (2S,3S,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
  • AZI · Azide ion
  • CL · Chloride ion
  • IOD · Iodide ion
  • BME · Beta-mercaptoethanol

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