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Ligand · 1RG

1RG · (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl) carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid

1RG, (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl) carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid (C22 H27 N3 O7 S, 477.5 g/mol), in the MolNFT structures on GenesisL1…

Component
1RG
Formula
C22 H27 N3 O7 S
Class
ligand
Structures
4
PDB entries
4

Binding sites

1RG in 4 structures; the first of them:

  • 6P99 · OXA-48 carbapanemase, ertapenem complex · 1RG A501 · binds ALA69, SER70, ILE102, TRP105, TYR117, SER118, VAL120, LEU158 and 9 more
  • 8IXX · Crystal structure of Class A beta-lactamase BlaA WT - complex with Ertapenem · 1RG A301 · binds CYS74, SER75, LYS78, SER109, TYR110, SER135, ASN137, GLU171 and 8 more
  • 8VBW · Structure of the monofunctional Staphylococcus aureus PBP1 in its beta-lactam (Ertapenem)… · 1RG A801 · binds GLY313, SER314, LYS317, TRP351, SER368, ASN370, PHE423, GLN425 and 9 more
  • 7KGM · C. rodentium ycbb - ertapenem complex · 1RG A801 · binds PRO437, ALA514, TYR516, HIS518, SER535, GLY536, CYS537

Residues it binds most

SER 5, GLY 5, LYS 4, THR 4, TYR 5, GLN 3, ALA 4, ASN 3, GLU 3, HIS 3 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • CD · Cadmium ion
  • CL · Chloride ion
  • PO4 · Phosphate ion

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