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Ligand · X1E

X1E · (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

X1E, (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (C8 H12 N2 O3 S, 216.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
X1E
Formula
C8 H12 N2 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

X1E in 2 structures; the first of them:

  • 2X1E · The crystal structure of mature acyl coenzyme A:isopenicillin N acyltransferase from… · X1E A1358 · binds CSD103, ASP121, PHE122, PHE123, ASN246, LEU262, ARG268, ARG302 and 3 more
  • 2X1E · The crystal structure of mature acyl coenzyme A:ISOPENICILLIN N acyltransferase from… · X1E A1358 · binds CSD103, ASP121, PHE122, PHE123, ASN246, LEU262, ARG268, ARG302 and 3 more

Residues it binds most

ARG 2, PHE 2, ALA 2, ASN 2, ASP 2, CSD 2, GLY 2, LEU 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • PO4 · Phosphate ion
  • GOL · Glycerol

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