Human diacylglycerol acyltransferase 1 in complex with oleoyl-CoA

Structure

electron microscopy · 1 distinct chain · 74% helix, 1% strand (DSSP).

Ligands and binding sites

• POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate · ligand · 4 copies · chains C, E
• P5S · O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy) propyl]oxy}(hydroxy)phosphoryl]-L-serine · ligand · 4 copies · chains C, E
• 3VV · S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3, 5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2, 4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name) · ligand · 2 copies · chains C, E
• AV0 · 2-decyl-2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}dodecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside · ligand · 2 copies · chains C, E

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• C–E · 3429 Ų buried · 51 hydrogen bonds · protein-protein

Compared structures

• 6VP0 · Human Diacylglycerol Acyltransferase 1 in complex with oleoyl-CoA · the same entry in another collection · chain C against C, TM-score 1.00
• O75907 · AlphaFold monomer V2.0 prediction for diacylglycerol O-acyltransferase 1 (O75907) · a predicted model of the same protein · chain C against A, TM-score 0.82

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt O75907
• Elsewhere: RCSB PDB 6VP0 · PDBe 6VP0 · UniProt O75907