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Ligand · PYS

PYS · 2-pyridinethiol

PYS, 2-pyridinethiol (C5 H5 N S, 111.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
PYS
Formula
C5 H5 N S
Class
ligand
Structures
3
PDB entries
3

Binding sites

PYS in 3 structures; the first of them:

  • 1CTE · Crystal structures of recombinant rat cathepsin B and a cathepsin B-inhibitor complex… · PYS A255 · binds GLN23, CYS29, PHE174, VAL176, PHE180, HIS199, ALA200, ILE201 and 3 more
  • 8UIQ · H47Q NicC with 2-mercaptopyridine ligand · PYS A402 · binds GLY45, ARG108, ARG184, TYR215, TYR225, VAL227, TRP273
  • 9DL4 · Structure of proline utilization A complexed with 2-pyridinethiol · PYS A1303 · binds ILE703, LYS730, GLY763, GLY766, ALA767, VAL786, ILE790, GLN793

Residues it binds most

ILE 4, GLY 3, VAL 5, ALA 4, GLN 4, PHE 2, TRP 3, ARG 1, ASN 2, CYS 2 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • SO4 · Sulfate ion
  • FMT · Formic acid
  • PEG · Di(hydroxyethyl)ether
  • PGE · Triethylene glycol

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