Ligand · 16C

16C · N-((E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl)palmitamide

16C, N-((E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl)palmitamide (C34 H67 N O3, 537.9 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component: 16C
Formula: C34 H67 N O3
Class: ligand
Structures: 5
PDB entries: 5

Binding sites

16C in 5 structures; the first of them:

8IJQ · The cryo-EM structure of human sphingomyelin synthase-related protein in complex with… · 16C A500 · binds PHE163, SER167, MET170, GLY208, MET209, CYS212, LEU232, CYS233 and 11 more
6CQ8 · K2P2.1(TREK-1):ML335 complex · 16C A407 · binds TYR57, ILE60, ALA300, THR303, LYS304
6CQ9 · K2P2.1(TREK-1):ML402 complex · 16C A406 · binds LEU56, TYR57, ILE60, ALA300, THR303, LYS304, PHE158
6W8A · K2P2.1 (trek-1):ML335 complex, 10 mm K+ · 16C A404 · binds TYR57, ILE60, LEU296, ALA300, LYS304
6W8F · K2P2.1 (trek-1):ML335 complex, 0 mm K+ · 16C A403 · binds TYR57, ILE60, ALA300, LYS304, PHE158

Residues it binds most

MET 6, PHE 8, GLY 6, CYS 6, HIS 6, ILE 7, ARG 6, ASP 6, LEU 5, VAL 6 (residue and the binding sites it lines).

Found with

R16 · Hexadecane
CD · Cadmium ion
K · Potassium ion
Q6F · N-[(2,4-dichlorophenyl)methyl]-4-[(methylsulfonyl) amino]benzamide
D12 · Dodecane
LNK · Pentane
Q5F · N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide

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