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Ligand · 536

536 · 1-benzyl-1,4,5,6-tetrahydropyridine-3-carboxamide

536, 1-benzyl-1,4,5,6-tetrahydropyridine-3-carboxamide (C13 H16 N2 O, 216.3 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…

Component
536
Formula
C13 H16 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

536 in 2 structures; the first of them:

  • 5CPL · The crystal structure of Xenobiotic reductase A (XenA) from Pseudomonas putida in complex… · 536 A401 · binds CYS25, TYR27, ALA57, ILE66, HIS178, HIS181, TYR183, PHE269 and 3 more
  • 5CPL · The crystal structure of xenobiotic reductase a (xena) from pseudomonas putida in complex… · 536 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
  • CA · Calcium ion

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