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Ligand · PN1

PN1 · (2S,6R)-6-{[(2R)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

PN1, (2S,6R)-6-{[(2R)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (C16 H19 N3 O4 S, 349.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
PN1
Formula
C16 H19 N3 O4 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

PN1 in 4 structures; the first of them:

  • 1UNB · Deacetoxycephalosporin C synthase complexed with 2-oxoglutarate and ampicillin · PN1 A1312 · binds THR72, MET73, ARG74, SER102, LEU158, ARG160, ARG162, MET180 and 13 more
  • 1W2N · Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) and… · PN1 A315 · binds ARG160, ARG162, HIS183, ASP185, LEU186, HIS243, VAL245, VAL262 and 1 more
  • 1UNB · Deacetoxycephalosporin C synthase complexed with 2-oxoglutarate and ampicillin · PN1 A1312 · binds THR72, MET73, ARG74, SER102, LEU158, ARG160, ARG162, MET180 and 13 more
  • 1W2N · Deacetoxycephalosporin C synthase (with a N-terminal his- tag) in complex with FE(II) and… · PN1 A315 · binds ARG160, ARG162, HIS183, ASP185, LEU186, HIS243, VAL245, VAL262 and 1 more

Residues it binds most

ARG 4, HIS 4, VAL 4, LEU 4, PHE 4, ASP 4, ILE 2, MET 2, SER 2, THR 2 (residue and the binding sites it lines).

Found with

  • AKG · 2-oxoglutaric acid
  • FE · Fe (III) ion
  • FE2 · Fe (II) ion

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