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Ligand · DWZ

DWZ · (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid

DWZ, (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid (C17 H27 N3 O5 S, 385.5 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
DWZ
Formula
C17 H27 N3 O5 S
Class
ligand
Structures
5
PDB entries
5

Binding sites

DWZ in 5 structures; the first of them:

  • 4ZFQ · Structure of M. tuberculosis (3,3) L,D-Transpeptidase, LdtMt5. (Meropenen-adduct form) · DWZ A503 · binds ARG297, ASN298, MET316, ASN318, PRO319, GLU328, ASN337, GLY338 and 5 more
  • 6ZRI · Crystal structure of OXA-10loop24 in complex with meropenem · DWZ A303 · binds ALA66, SER67, KCX70, MET99, GLN101, TRP102, GLN113, VAL114 and 10 more
  • 6ZRP · Crystal structure of class D Beta-lactamase OXA-48 in complex with meropenem · DWZ A301 · binds ALA69, SER70, KCX73, ILE102, THR104, TRP105, TYR117, SER118 and 7 more
  • 7QUN · CryoEM structure of mammalian AAP in complex with Meropenem · DWZ A801 · binds PHE274, HIS325, GLY508, GLY509, SER512, SER587, HIS588, VAL613 and 6 more
  • 7VX3 · OXA-58 crystal structure of acylated meropenem complex 2 · DWZ A303 · binds ALA82, SER83, KCX86, PHE114, TRP117, GLN128, ALA129, SER130 and 8 more

Residues it binds most

SER 13, VAL 13, GLY 14, TRP 13, LEU 9, ALA 13, ARG 14, HIS 5, THR 8, MET 6 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • MER · (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • PEG · Di(hydroxyethyl)ether

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