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Ligand · 531

531 · 1-[(3S)-1-benzylpiperidin-3-yl]ethanone

531, 1-[(3S)-1-benzylpiperidin-3-yl]ethanone (C14 H19 N O, 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 ligands…

Component
531
Formula
C14 H19 N O
Class
ligand
Structures
2
PDB entries
1

Binding sites

531 in 2 structures; the first of them:

  • 5CPN · Crystal structure of XenA from Pseudomonas putida in complex with an NADH mimic (mAc) · 531 A401 · binds CYS25, TYR27, ALA57, ILE66, HIS178, HIS181, TYR183, PHE269 and 3 more
  • 5CPN · Crystal structure of xena from pseudomonas putida in complex with an NADH mimic (mac) · 531 A401 · binds CYS25, TYR27, ALA57, ILE66, HIS178, HIS181, TYR183, PHE269 and 3 more

Residues it binds most

HIS 4, TRP 4, TYR 4, ALA 4, ARG 4, CYS 4, ILE 4, PHE 4 (residue and the binding sites it lines).

Found with

  • FNR · 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[g]pteridin-1-id-10(5H)-yl)-5-O-phosphonato-D-ribitol

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