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Ligand · 1XK

1XK · 4-[(3S)-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide

1XK, 4-[(3S)-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide (C26 H28 F N5 O3, 477.5 g/mol), in the MolNFT structures on GenesisL1…

Component
1XK
Formula
C26 H28 F N5 O3
Class
ligand
Structures
5
PDB entries
5

Binding sites

1XK in 5 structures; the first of them:

  • 7F97 · Plasmodium falciparum Prolyl-tRNA Synthetase (PfPRS) in Complex with L-proline and… · 1XK A802 · binds ARG390, GLU392, LYS394, GLN395, PRO396, PHE399, ILE400, ARG401 and 13 more
  • 7F9A · Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L97 · 1XK A1901 · binds ARG1152, GLU1154, LYS1156, HIS1157, PRO1158, PHE1161, LEU1162, ARG1163 and 12 more
  • 7F9Q · Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L97 and… · 1XK A901 · binds ARG470, GLU472, LYS474, GLN475, PRO476, PHE479, LEU480, ARG481 and 13 more
  • 7F9T · Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L97 and… · 1XK A1001 · binds ARG470, GLU472, LYS474, GLN475, PRO476, PHE479, LEU480, ARG481 and 13 more
  • 7FAM · Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with… · 1XK A901 · binds ARG470, GLU472, LYS474, GLN475, PRO476, PHE479, LEU480, ARG481 and 11 more

Residues it binds most

ARG 11, THR 11, PHE 11, GLN 11, ALA 9, GLY 11, GLU 11, LYS 11, PRO 11, TRP 11 (residue and the binding sites it lines).

Found with

  • PRO · Proline
  • CA · Calcium ion
  • CL · Chloride ion
  • 9SF · 3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one
  • HFG · 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one
  • OXM · Oxamic acid
  • ZN · Zinc ion
  • ACT · Acetate ion
  • BU1 · 1,4-butanediol
  • EDO · 1,2-ethanediol
  • FMT · Formic acid
  • HEZ · Hexane-1,6-diol

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