Fadr, fatty acid responsive transcription factor from vibrio cholerae, in complex with oleoyl-CoA

Structure

x-ray diffraction · 2 distinct chains · 66% helix, 1% strand (DSSP).

Ligands and binding sites

• 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 · 4 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 981 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

• 4PDK · FadR, Fatty Acid Responsive Transcription Factor from Vibrio cholerae, in Complex with… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9KQU8 · AlphaFold monomer V2.0 prediction for fatty acid metabolism regulator protein (Q9KQU8) · a predicted model of the same protein · chain A against A, TM-score 0.74

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 Q9KQU8
• Elsewhere: RCSB PDB 4PDK · PDBe 4PDK · UniProt Q9KQU8