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Ligand · 3S3

3S3 · (1R)-2-({(R)-carboxy[(2R,5S)-4-carboxy-5-methyl-5,6-dihydro-2H-1,3-thiazin-2-yl]methyl}amino)-2-oxo-1-phenylethanaminium

3S3, (1R)-2-({(R)-carboxy[(2R,5S)-4-carboxy-5-methyl-5,6-dihydro-2H-1,3-thiazin-2-yl]methyl}amino)-2-oxo-1-phenylethanaminium (C16 H20 N3 O5 S +1, 366.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
3S3
Formula
C16 H20 N3 O5 S +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

3S3 in 2 structures; the first of them:

  • 4RL2 · Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins · 3S3 A303 · binds LEU65, MET67, VAL73, TRP93, HIS122, GLN123, ASP124, HIS189 and 10 more
  • 4RL2 · Structural and mechanistic insights into ndm-1 catalyzed hydrolysis of cephalosporins · 3S3 A303 · binds LEU65, MET67, VAL73, TRP93, HIS122, GLN123, ASP124, HIS189 and 10 more

Residues it binds most

HIS 4, GLY 4, LEU 4, ASN 4, ASP 4, CYS 4, GLN 4, LYS 4, MET 4, PHE 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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