Crystal structure of actin in complex with synthetic aplc tail analogue GC04 [N-{(1E,4R,5R,7E,9S,10S,11S)-4,10-dimethoxy-11-[(2S,4S, 5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6- oxododeca-1,7-dien-1-yl}-N-methylformamide]

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 19% strand (DSSP).

Ligands and binding sites

• ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
• 1PO · N-{(1E,4R,5R,7E,9S,10S,11S)-4,10-dimethoxy-11-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxododeca-1,7-dien-1-yl}-N-methylformamide · ligand · 2 copies · chains A, B
• CA · Calcium ion · metal · 2 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, 3 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 456 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

• 4K43 · Crystal structure of actin in complex with synthetic AplC tail analogue GC04… · the same entry in another collection · chain A against A, TM-score 1.00
• P68135 · AlphaFold monomer V2.0 prediction for actin, alpha skeletal muscle (P68135) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P68135
• Elsewhere: RCSB PDB 4K43 · PDBe 4K43 · UniProt P68135