› 4k42

X-ray diffraction
2.9Å resolution

Crystal structure of actin in complex with synthetic AplC tail analogue SF01 [(3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate]

Released:
DOI: 10.2210/pdb4k42/pdb
PDB entry 4k42 coloured by chain, front view.
PDB entry 4k42 coloured by chain, side view.
PDB entry 4k42 coloured by chain, top view.
Source organism: Oryctolagus cuniculus
Primary publication:
Structural and biochemical studies of actin in complex with synthetic macrolide tail analogues.
Pereira JH, Petchprayoon C, Hoepker AC, Moriarty NW, Fink SJ, Cecere G, Paterson I, Adams PD, Marriott G
ChemMedChem 9 2286-93 (2014)
PMID: 25047814

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-159302 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Actin, alpha skeletal muscle Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 375 amino acids
Theoretical weight: 41.86 KDa
Source organism: Oryctolagus cuniculus
UniProt:
  • Canonical: P68135 (Residues: 3-377; Coverage: 100%)
Gene names: ACTA, ACTA1
Sequence domains: Actin
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand CA 4 x CA
Ligand ADP 4 x ADP
Ligand NWM 4 x NWM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P21
Unit cell:
a: 54.65Å b: 67.343Å c: 207.853Å
α: 90° β: 92.42° γ: 90°
R-values:
R R work R free
0.23 0.228 0.271

Quick links

Citations

2 review citations

Actin-Associated Proteins and Small Molecules Targeting the Actin Cytoskeleton.
Gao et al. (2022)
1 more

2 mentions without citation

Structural and biochemical studies of actin in complex with synthetic macrolide tail analogues.
Pereira et al. (2014)
1 more