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Ligand · WSS

WSS · tri(methyl)-[2-[[(2~{R})-2-[(~{Z})-octadec-9-enoyl]oxy-3-[(~{E})-1-oxidanylideneoctadec-9-enoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium

WSS, tri(methyl)-[2-[[(2~{R})-2-[(~{Z})-octadec-9-enoyl]oxy-3-[(~{E})-1-oxidanylideneoctadec-9-enoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium (C44 H85 N O8 P +1, 787.1 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records…

Component
WSS
Formula
C44 H85 N O8 P +1
Class
ligand
Structures
4
PDB entries
2

Binding sites

WSS in 4 structures; the first of them:

  • 6WLW · The Vo region of human V-ATPase in state 1 (focused refinement) · WSS 0301 · binds ALA21, CYS25, PHE29, ASP30, LEU31, TYR10, PHE13, PHE14 and 5 more
  • 6WM2 · Human V-ATPase in state 1 with SidK and ADP · WSS R905 · binds ILE414, LEU415, LEU418, CYS467, PHE468, LYS470, SER471, LEU472 and 15 more
  • 6WLW · The vo region of human V-ATPase in state 1 (focused refinement) · WSS 0301 · binds CYS25, PHE29, ASP30, LEU31, TYR10, PHE14, TYR10, PHE14 and 2 more
  • 6WM2 · Human V-ATPase in state 1 with sidk and ADP · WSS R905 · binds LEU415, LEU418, LEU472, ASN473, ILE474, HIS79, TRP80, TRP60 and 7 more

Residues it binds most

PHE 36, TYR 36, LEU 31, VAL 26, SER 22, GLY 17, ALA 18, TRP 18, ILE 14, ASN 16 (residue and the binding sites it lines).

Found with

  • CLR · Cholesterol
  • PTY · Phosphatidylethanolamine
  • WJP · Methyl (3R,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6, 10,14,18-tetraen-1-yl dihydrogen diphosphate
  • WJS · (2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid
  • BGC · beta-D-glucopyranose
  • BMA · beta-D-mannopyranose
  • GAL · beta-D-galactopyranose
  • GLC · alpha-D-glucopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • NGA · 2-acetamido-2-deoxy-beta-D-galactopyranose
  • SIA · N-acetyl-alpha-neuraminic acid

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