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Ligand · MCK

MCK · N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2S)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-(L-seryloxy)propanoyl]-L-serine

MCK, N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2S)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-(L-seryloxy)propanoyl]-L-serine (C23 H25 N3 O13, 551.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
MCK
Formula
C23 H25 N3 O13
Class
ligand
Structures
2
PDB entries
1

Binding sites

MCK in 2 structures; the first of them:

  • 3K3L · Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with apo Enterobactin · MCK C179 · binds LEU36, ALA40, ILE41, GLN49, TYR52, LEU70, TRP79, ARG81 and 7 more
  • 3K3L · Crystal structure of siderocalin (ngal, lipocalin 2) complexed with apo enterobactin · MCK C179 · binds LEU36, ALA40, ILE41, GLN49, TYR52, LEU70, TRP79, ARG81 and 7 more

Residues it binds most

LYS 2, TYR 2, LEU 2, PHE 2, ALA 2, ARG 2, GLN 2, ILE 2, TRP 2 (residue and the binding sites it lines).

Found with

  • DBH · 2,3-dihydroxy-benzoic acid
  • DBS · 2-(2,3-dihydroxy-benzoylamino)-3-hydroxy-propionic acid
  • NA · Sodium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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