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Ligand · NK

NK · Salicylaldehyde

NK, Salicylaldehyde (C7 H6 O2, 122.1 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
NK
Formula
C7 H6 O2
Class
ligand
Structures
5
PDB entries
3

Binding sites

NK in 5 structures; the first of them:

  • 2PIR · Androgen receptor LBD with small molecule · NK A933 · binds ASP731, ASP732, ALA735, TYR739, PRO817, ASP819, GLY820, LEU821 and 1 more
  • 4JZ6 · Crystal structure of a salicylaldehyde dehydrogenase from Pseudomonas putida G7 complexed… · NK A501 · binds TRP96, ASN149, GLY150, VAL153, LEU154, ARG157, ILE283, CYS284 and 3 more
  • 9BU0 · Structure of human MAIT A-F7 TCR in complex with human MR1-salicylaldehyde · NK A301 · binds TYR7, ARG9, SER24, THR34, LYS43, TYR62, LEU66, TRP69 and 1 more
  • 2PIR · Androgen receptor lbd with small molecule · NK A933 · binds ASP731, ASP732, ALA735, TYR739, PRO817, ASP819, GLY820, LEU821 and 1 more
  • 4JZ6 · Crystal structure of a salicylaldehyde dehydrogenase from pseudomonas putida G7 complexed… · NK A501 · binds TRP96, ASN149, GLY150, VAL153, LEU154, ARG157, ILE283, CYS284 and 3 more

Residues it binds most

TYR 8, ARG 6, ASP 2, LEU 6, LYS 6, TRP 4, ASN 2, CYS 4, GLY 4, ALA 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DHT · 5-alpha-dihydrotestosterone
  • EDO · 1,2-ethanediol
  • ACT · Acetate ion
  • GOL · Glycerol

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