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Ligand · NKQ

NKQ · (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E,12Z,15Z)-octadeca-9,12,15-trienoate

NKQ, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E,12Z,15Z)-octadeca-9,12,15-trienoate (C21 H37 O7 P, 432.5 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…

Component
NKQ
Formula
C21 H37 O7 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

NKQ in 2 structures; the first of them:

  • 3NKQ · Crystal structure of mouse autotaxin in complex with 18:3-LPA · NKQ A1006 · binds ILE167, SER169, ASP171, LYS208, THR209, PHE210, LEU213, TYR214 and 14 more
  • 3NKQ · Crystal structure of mouse autotaxin in complex with 18:3-lpa · NKQ A1006 · binds ILE167, SER169, ASP171, LYS208, THR209, PHE210, LEU213, TYR214 and 14 more

Residues it binds most

HIS 4, TRP 4, LEU 2, TYR 4, ALA 2, ASP 2, PHE 2, ASN 2, ILE 2, LYS 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • K · Potassium ion
  • NA · Sodium ion
  • ZN · Zinc ion
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SCN · Thiocyanate ion
  • EDO · 1,2-ethanediol

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