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Ligand · 2K6

2K6 · (3R)-3-(4-methoxyphenyl)-5-oxohexanenitrile

2K6, (3R)-3-(4-methoxyphenyl)-5-oxohexanenitrile (C13 H15 N O2, 217.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
2K6
Formula
C13 H15 N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

2K6 in 2 structures; the first of them:

  • 4PA8 · Crystal structure of a de novo retro-aldolase catalyzing asymmetric Michael additions… · 2K6 A2001 · binds TRP1008, LEU1009, LYS1083, PHE1089, ASN1110, ASP1111, PHE1112, LEU1131 and 5 more
  • 4PA8 · Crystal structure of a de novo retro-aldolase catalyzing asymmetric michael additions… · 2K6 A2001 · binds TRP1008, LEU1009, LYS1083, PHE1089, ASN1110, ASP1111, PHE1112, LEU1131 and 5 more

Residues it binds most

LEU 2, PHE 2, ASN 2, ILE 2, ASP 2, LYS 2, TRP 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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