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Ligand · XWS

XWS · (2R,4R)-1-phenylhexahydropyrimidine-2,4-diol

XWS, (2R,4R)-1-phenylhexahydropyrimidine-2,4-diol (C10 H14 N2 O2, 194.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
XWS
Formula
C10 H14 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

XWS in 2 structures; the first of them:

  • 7LFE · SARS-CoV-2 Main protease immature form - F2X Entry Library E03 fragment · XWS A406 · binds HIS41, CYS44, MET49, TYR54, CYS145, HIS164, MET165, GLU166 and 3 more
  • 7LFE · SARS-cov-2 main protease immature form - F2X entry library E03 fragment · XWS A406 · binds HIS41, CYS44, MET49, TYR54, CYS145, HIS164, MET165, GLU166 and 3 more

Residues it binds most

CYS 2, HIS 2, MET 2, ARG 2, ASP 2, GLN 2, GLU 2, TYR 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • PEG · Di(hydroxyethyl)ether

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