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Ligand · LWA

LWA · (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide

LWA, (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide (C12 H14 N2 O3, 234.2 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
LWA
Formula
C12 H14 N2 O3
Class
ligand
Structures
5
PDB entries
4

Binding sites

LWA in 5 structures; the first of them:

  • 5QPV · PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with… · LWA A404 · binds THR42, THR43, CYS44, LEU45, GLY46, GLU88, GLN91, LEU95 and 6 more
  • 5SNB · PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa… · LWA A501 · binds ASP20, GLU61, TYR62, PHE83, GLN84, ARG87
  • 5QPV · Pandda analysis group deposition -- crystal structure of T. cruzi fpps in complex with… · LWA A404 · binds THR42, THR43, CYS44, LEU45, GLY46, GLU88, GLN91, LEU95 and 6 more
  • 5R88 · Pandda analysis group deposition interleukin-1 beta -- fragment Z1545313172 in complex… · LWA A203 · binds TYR24, GLU25, LEU26, LEU80, LEU82, PRO131, VAL132
  • 5REG · Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in… · LWA A404 · binds ARG105, ILE106, GLN107, PRO108, PHE134, TYR182, GLY183, PRO184

Residues it binds most

LEU 6, ARG 5, PHE 4, ASP 4, PRO 4, CYS 2, GLN 4, GLU 4, GLY 4, LYS 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide
  • PO4 · Phosphate ion

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