Ligand · I8E

I8E · Tetrahydrocannabivarin

I8E, Tetrahydrocannabivarin (C19 H26 O2, 286.4 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: I8E
Formula: C19 H26 O2
Class: ligand
Structures: 3
PDB entries: 3

Binding sites

I8E in 3 structures; the first of them:

8SP8 · Human TRP channel TRPV6 in cNW30 nanodiscs inhibited by tetrahydrocannabivarin (THCV) · I8E A808 · binds ASP489, LEU490, PHE493, CYS494, MET497, PHE534, LEU538, MET570 and 7 more
8V6L · Open-state cryo-EM structure of human TRPV3 in presence of tetrahydrocannabivarin (THCV)… · I8E A904 · binds TRP521, PHE522, ALA556, LEU557, ALA560, ASN561, LEU563, ILE579 and 4 more
8V6M · Inactivated-state cryo-EM structure of human TRPV3 in presence of tetrahydrocannabivarin… · I8E A903 · binds TRP521, PHE522, VAL525, ALA556, LEU557, ALA560, ASN561, LEU563 and 6 more

Residues it binds most

LEU 16, PHE 14, ILE 16, ALA 16, MET 4, THR 12, ASN 8, TRP 8, ASP 4, CYS 4 (residue and the binding sites it lines).

Found with

POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
NA · Sodium ion
Y01 · Cholesterol hemisuccinate
CA · Calcium ion
CL · Chloride ion

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