Structure of rabbit G-actin in complex with chivosazole a

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 21% strand (DSSP).

Ligands and binding sites

• ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains B, A
• CV9 · (2~{R},3~{R},5~{S},6~{E},8~{E},10~{Z},12~{S},13~{R}, 16~{Z},18~{E},20~{Z},22~{E},24~{R},25~{S},26~{E}, 28~{Z})-13-[(2~{S},3~{S},5~{S})-3,5-bis(oxidanyl) hexan-2-yl]-25-[(2~{R},3~{R},4~{S},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-5-oxidanyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20, 22,26,28,30-undecaen-15-one · ligand · 2 copies · chains B, A
• MG · Magnesium ion · metal · 2 copies · chains B, A

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

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• B–A · 83 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (methylation).

Compared structures

• 6QRI · Structure of rabbit G-actin in complex with chivosazole A · the same entry in another collection · chain B against B, 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 6QRI · PDBe 6QRI · UniProt P68135