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Ligand · 98R

98R · [(2S)-2-[(E)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate

98R, [(2S)-2-[(E)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate (C39 H72 O5, 621.0 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
98R
Formula
C39 H72 O5
Class
ligand
Structures
10
PDB entries
5

Binding sites

98R in 10 structures; the first of them:

  • 7DXB · Structure of TRPC3 at 2.7 angstrom in high calcium state · 98R A909 · binds ASN633, TYR636, VAL637, GLY640, ILE641, VAL644, THR645, VAL648 and 6 more
  • 7DXC · Structure of TRPC3 at 3.06 angstrom in low calcium state · 98R A904 · binds LEU558, VAL562, MET569, GLU603, PHE606, LYS607, PHE610, TRP611 and 8 more
  • 7DXE · Structure of TRPC3 gain of function mutation R803C at 3.2 angstrom in 1340nM free calcium… · 98R D905 · binds ASN633, TYR636, VAL637, GLY640, ILE641, VAL644, THR645, VAL648 and 7 more
  • 7DXF · Structure of BTDM-bound human TRPC6 nanodisc at 2.9 angstrom in high calcium state · 98R A1008 · binds VAL631, ILE642, GLU672, PHE675, LYS676, PHE679, TRP680, ASN702 and 7 more
  • 7DXG · Structure of SAR7334-bound TRPC6 at 2.9 angstrom · 98R A1009 · binds VAL631, MET638, GLU672, PHE675, LYS676, PHE679, TRP680, ASN702 and 7 more
  • 7DXB · Structure of TRPC3 at 2.7 ångström in high calcium state · 98R A909 · binds ASN633, TYR636, VAL637, GLY640, ILE641, VAL644, THR645, VAL648 and 6 more
  • 7DXC · Structure of TRPC3 at 3.06 ångström in low calcium state · 98R A904 · binds LEU558, VAL562, MET569, GLU603, PHE606, LYS607, PHE610, TRP611 and 8 more
  • 7DXE · Structure of TRPC3 gain of function mutation R803C at 3.2 ångström in 1340NM free calcium… · 98R D905 · binds ASN633, TYR636, VAL637, GLY640, ILE641, VAL644, THR645, VAL648 and 7 more
  • 7DXF · Structure of btdm-bound human TRPC6 nanodisc at 2.9 ångström in high calcium state · 98R A1008 · binds VAL631, ILE642, GLU672, PHE675, LYS676, PHE679, TRP680, ASN702 and 7 more
  • 7DXG · Structure of SAR7334-bound TRPC6 at 2.9 ångström · 98R A1009 · binds VAL631, MET638, GLU672, PHE675, LYS676, PHE679, TRP680, ASN702 and 7 more

Residues it binds most

VAL 40, PHE 40, ASN 40, GLU 40, GLY 40, ILE 40, LYS 40, THR 40, TRP 40, TYR 40 (residue and the binding sites it lines).

Found with

  • POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
  • Y01 · Cholesterol hemisuccinate
  • ZN · Zinc ion
  • CA · Calcium ion
  • HOR · 4-[[(1R,2R)-2-[(3R)-3-azanylpiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile
  • W99 · [2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3R, 5S)-3,5-dimethylpiperidin-1-yl]methanone

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