GL1X · GenesisL1 explorer

Ligand · A14

A14 · (1S,4S,5S,7R)-7-{[(5S)-5-amino-5-carboxypentanoyl]amino}-3,3-dimethyl-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid

A14, (1S,4S,5S,7R)-7-{[(5S)-5-amino-5-carboxypentanoyl]amino}-3,3-dimethyl-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid (C15 H22 N2 O6 S, 358.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
A14
Formula
C15 H22 N2 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

A14 in 2 structures; the first of them:

  • 2JB4 · Isopenicillin N synthase with a 2-thiabicycloheptan-6-one product analogue · A14 A1332 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 13 more
  • 2JB4 · Isopenicillin N synthase with a 2-thiabicycloheptan-6-one product analogue · A14 A1332 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 13 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

  • FE · Fe (III) ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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