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Ligand · NXJ

NXJ · (1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide

NXJ, (1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide (C12 H16 N2 O, 204.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
NXJ
Formula
C12 H16 N2 O
Class
ligand
Structures
2
PDB entries
2

Binding sites

NXJ in 2 structures; the first of them:

  • 5QRO · Pandda analysis group deposition -- crystal structure of human brachyury in complex with… · NXJ A306 · binds SER89, LEU91, ILE125, SER129, VAL175
  • 5SA0 · Pandda analysis group deposition -- crystal structure of trypanosoma brucei trypanothione… · NXJ A508 · binds PHE198, ARG228, GLY229, PHE230, LEU332, MET333, SER364, ALA365

Residues it binds most

PHE 2, SER 3, ALA 2, GLY 2, LEU 2, MET 2, ARG 1, ILE 1, VAL 1 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • CD · Cadmium ion
  • MG · Magnesium ion
  • BR · Bromide ion
  • DMS · Dimethyl sulfoxide

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