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Ligand · NQS

NQS · 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione

NQS, 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione (C12 H10 O3 S, 234.3 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…

Component
NQS
Formula
C12 H10 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

NQS in 2 structures; the first of them:

  • 4PE0 · Crystal Structure of Calcium-loaded S100B bound to SBi4434 · NQS X101 · binds HIS42, PHE43, LEU44, ILE80, ALA83, CYS84, PHE87, PHE88 and 1 more
  • 4PE0 · Crystal structure of calcium-loaded S100B bound to SBI4434 · NQS X101 · binds HIS42, PHE43, LEU44, ILE80, ALA83, CYS84, PHE87, PHE88 and 1 more

Residues it binds most

PHE 4, ALA 4, CYS 4, ILE 4, HIS 2, LEU 2, VAL 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion

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