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Ligand · ACS

ACS · 1-[(1S)-carboxy-2-(methylsulfinyl)ethyl]-(3R)-[(5S)-5-amino-5-carboxypentanamido]-(4R)-sulfanylazetidin-2-one

ACS, 1-[(1S)-carboxy-2-(methylsulfinyl)ethyl]-(3R)-[(5S)-5-amino-5-carboxypentanamido]-(4R)-sulfanylazetidin-2-one (C13 H21 N3 O7 S2, 395.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
ACS
Formula
C13 H21 N3 O7 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

ACS in 2 structures; the first of them:

  • 1QJF · ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (Monocyclic Sulfoxide - Fe COMPLEX) · ACS A1333 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 12 more
  • 1QJF · Isopenicillin N synthase from aspergillus nidulans (monocyclic sulfoxide - fe complex) · ACS A1333 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 12 more

Residues it binds most

LEU 2, HIS 2, PHE 2, SER 2, TYR 2, VAL 2, ARG 2, ASP 2, CYS 2, GLN 2 (residue and the binding sites it lines).

Found with

  • FE2 · Fe (II) ion
  • SO4 · Sulfate ion

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