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Ligand · S3C

S3C · (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid

S3C, (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid (C9 H5 Cl3 O2 S, 283.6 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
S3C
Formula
C9 H5 Cl3 O2 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

S3C in 3 structures; the first of them:

  • 5N5H · Crystal structure of metallo-beta-lactamase VIM-1 in complex with ML302F inhibitor · S3C A303 · binds PHE62, TRP87, HIS114, HIS116, ASP117, ASP118, HIS179, CYS198 and 2 more
  • 5N5H · Crystal structure of metallo-beta-lactamase vim-1 in complex with ML302F inhibitor · S3C A303 · binds PHE62, TRP87, HIS114, HIS116, ASP118, HIS179, CYS198, ASN210 and 1 more
  • 6EW3 · Crystal structure of the metallo-beta-lactamase vim-2 with ML302F · S3C A506 · binds PHE62, TRP87, HIS114, HIS116, ASP117, ASP118, HIS179, CYS198 and 2 more

Residues it binds most

HIS 4, ASP 4, ASN 4, CYS 4, PHE 4, TRP 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide
  • FMT · Formic acid

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