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Ligand · MCJ

MCJ · N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2S)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-({N-[(2,3-dihydroxyphenyl)carbonyl]-L-seryl}oxy)propanoyl]-D-serine

MCJ, N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2S)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-({N-[(2,3-dihydroxyphenyl)carbonyl]-L-seryl}oxy)propanoyl]-D-serine (C30 H29 N3 O16, 687.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
MCJ
Formula
C30 H29 N3 O16
Class
ligand
Structures
2
PDB entries
1

Binding sites

MCJ in 2 structures; the first of them:

  • 3I0A · Crystal structure of Siderocalin (NGAL, Lipocalin 2) K134A mutant complexed with Ferric… · MCJ C183 · binds ALA40, TYR52, SER68, LEU70, ARG72, TRP79, ARG81, LEU94 and 9 more
  • 3I0A · Crystal structure of siderocalin (ngal, lipocalin 2) K134A mutant complexed with ferric… · MCJ C183 · binds ALA40, TYR52, SER68, LEU70, ARG72, TRP79, ARG81, LEU94 and 9 more

Residues it binds most

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

Found with

  • 2DS · N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2R)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-hydroxypropanoyl]-L-serine
  • 3ET · O-[(2R)-2-amino-3-(D-seryloxy)propanoyl]-N-[(2,3-dihydroxyphenyl)carbonyl]-L-serine
  • DBH · 2,3-dihydroxy-benzoic acid
  • FE · Fe (III) ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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