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Ligand · 3LU

3LU · 1-({(2R)-4-carboxy-2-[(R)-carboxy{[(2R)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyr idinium

3LU, 1-({(2R)-4-carboxy-2-[(R)-carboxy{[(2R)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyr idinium (C21 H22 N3 O8 S2 +1, 508.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
3LU
Formula
C21 H22 N3 O8 S2 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

3LU in 2 structures; the first of them:

  • 4RDD · Co-crystal structure of SHP2 in complex with a Cefsulodin derivative · 3LU A600 · binds TYR279, ILE282, CYS459, SER460, ALA461, GLY462, ILE463, GLY464 and 4 more
  • 4RDD · Co-crystal structure of SHP2 in complex with a cefsulodin derivative · 3LU A600 · binds TYR279, ILE282, CYS459, SER460, ALA461, GLY462, ILE463, GLY464 and 4 more

Residues it binds most

GLN 2, GLY 2, ILE 2, ALA 2, ARG 2, CYS 2, SER 2, THR 2, TYR 2 (residue and the binding sites it lines).

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