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Ligand · QT2

QT2 · (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid

QT2, (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid (C10 H17 N O4 S2, 279.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its…

Component
QT2
Formula
C10 H17 N O4 S2
Class
ligand
Structures
6
PDB entries
3

Binding sites

QT2 in 6 structures; the first of them:

  • 6ZYN · Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine L-anti-1b · QT2 A304 · binds PHE62, TYR67, TRP87, HIS114, HIS116, ASP117, ASP118, HIS179 and 3 more
  • 6ZYP · Structure of NDM-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b · QT2 A303 · binds MET67, VAL73, TRP93, HIS120, HIS122, GLN123, ASP124, HIS189 and 3 more
  • 6ZYR · Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b · QT2 A303 · binds VAL25, TRP28, VAL31, PHE51, HIS77, HIS79, SER80, ASP81 and 5 more
  • 6ZYN · Structure of vim-2 with 2-mercaptomethyl-thiazolidine L-anti-1B · QT2 A304 · binds PHE62, TYR67, TRP87, HIS114, HIS116, ASP117, ASP118, HIS179 and 3 more
  • 6ZYP · Structure of ndm-1 with 2-mercaptomethyl-thiazolidine L-anti-1B · QT2 A303 · binds TRP93, HIS122, GLN123, ASP124, HIS189, CYS208, ASN220, HIS250
  • 6ZYR · Structure of imp-1 with 2-mercaptomethyl-thiazolidine L-anti-1B · QT2 A303 · binds VAL25, TRP28, VAL31, PHE51, HIS79, SER80, ASP81, HIS139 and 3 more

Residues it binds most

HIS 14, ASP 14, VAL 9, ASN 14, CYS 13, PHE 12, TRP 12, SER 8, TYR 4, GLY 3 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • NA · Sodium ion
  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • EDO · 1,2-ethanediol
  • FMT · Formic acid

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