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Ligand · HDS

HDS · 1-hexadecanosulfonic acid

HDS, 1-hexadecanosulfonic acid (C16 H34 O3 S, 306.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with…

Component
HDS
Formula
C16 H34 O3 S
Class
ligand
Structures
6
PDB entries
6

Binding sites

HDS in 6 structures; the first of them:

  • 1EXW · Crystal structure of palmitoyl protein thioesterase 1 complexed with hexadecylsulfonyl… · HDS A430 · binds GLY40, MET41, SER115, GLN116, GLN142, VAL146, LEU149, PRO150 and 11 more
  • 1LIC · X-ray crystallographic structures of adipocyte lipid binding protein complexed with… · HDS A133 · binds PHE16, TYR19, MET20, VAL25, THR29, VAL32, ALA33, MET40 and 10 more
  • 1LPO · Analogs of reaction intermediates identify a unique substrate binding site in candida… · HDS A560 · binds GLY122, GLY123, GLY124, PHE125, SER209, ALA210, MET213, VAL245 and 17 more
  • 1LPP · Analogs of reaction intermediates identify a unique substrate binding site in candida… · HDS A560 · binds GLY122, GLY123, GLY124, SER209, ALA210, MET213, VAL245, PRO246 and 17 more
  • 1QD6 · Outer membrane phospholipase a from escherichia COLI · HDS C270 · binds PHE75, LEU77, TYR92, TYR114, PRO116, HIS142, ASP143, SER144 and 15 more
  • 1QZ3 · Crystal structure of mutant M211S/R215L of carboxylesterase EST2 complexed with… · HDS A400 · binds VAL10, GLN13, LEU14, PHE30, GLN33, GLN34, LEU36, PHE37 and 12 more

Residues it binds most

LEU 6, PHE 7, SER 7, GLY 6, VAL 7, TYR 6, GLN 4, ALA 5, MET 6, HIS 6 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • PPI · Propanoic acid

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