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Ligand · HNK

HNK · 5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol

HNK, 5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol (C10 H14 N2 O, 178.2 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
HNK
Formula
C10 H14 N2 O
Class
ligand
Structures
6
PDB entries
3

Binding sites

HNK in 6 structures; the first of them:

  • 3NG7 · Complex of dithionite-reduced 6-hydroxy-L-nicotine oxidase with substrate bound at active… · HNK X436 · binds TYR59, ALA82, SER83, GLU84, PHE85, VAL195, LEU196, LEU198 and 2 more
  • 3NK0 · Complex of 6-hydroxy-L-nicotine oxidase with inhibitor bound at active site and turnover… · HNK X433 · binds TYR59, TRP163, ASN166, MET167, LEU198, TYR311, PHE326, TRP371 and 2 more
  • 3NN6 · Crystal structure of inhibitor-bound in active centre 6-hydroxy-L-nicotine oxidase from… · HNK X433 · binds TYR59, TRP163, ASN166, MET167, LEU198, TYR311, PHE326, TRP371 and 2 more
  • 3NG7 · Complex of dithionite-reduced 6-hydroxy-L-nicotine oxidase with substrate bound at active… · HNK X436 · binds TYR59, ALA82, SER83, GLU84, PHE85, VAL195, LEU196, LEU198 and 2 more
  • 3NK0 · Complex of 6-hydroxy-L-nicotine oxidase with inhibitor bound at active site and turnover… · HNK X433 · binds TYR59, TRP163, ASN166, MET167, LEU198, TYR311, PHE326, TRP371 and 2 more
  • 3NN6 · Crystal structure of inhibitor-bound in active centre 6-hydroxy-L- nicotine oxidase from… · HNK X433 · binds TYR59, TRP163, ASN166, MET167, LEU198, TYR311, PHE326, TRP371 and 2 more

Residues it binds most

TYR 6, LEU 6, TRP 4, PHE 6, ASN 4, GLY 4, MET 4, ALA 2, ASP 2, GLU 2 (residue and the binding sites it lines).

Found with

  • GP7 · (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate
  • FAD · Flavin-adenine dinucleotide
  • FB0 · (2R,3S,4S)-5-({[(acetylcarbamoyl)amino]methyl}[(3S,4R)-6-amino-3,4-dimethylhexyl]amino)-2,3,4-trihydroxypentyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
  • HNL · 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol
  • HNM · 1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one

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