› 8qad

X-ray diffraction
2.25Å resolution

X-ray crystal structure of a de novo designed single-chain antiparallel 6-helix coiled-coil alpha-helical barrel, sc-apCC-6-LLIA

Released:
DOI: 10.2210/pdb8qad/pdb
PDB entry 8qad coloured by chain, front view.
PDB entry 8qad coloured by chain, side view.
PDB entry 8qad coloured by chain, top view.
Source organism: synthetic construct
Primary publication:
Rationally seeded computational protein design of ɑ-helical barrels.
Albanese KI, Petrenas R, Pirro F, Naudin EA, Borucu U, Dawson WM, Scott DA, Leggett GJ, Weiner OD, Oliver TAA, Woolfson DN
Nat Chem Biol (2024)
PMID: 38902458

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-246662 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
sc-apCC-6-LLIA Chain: A
Molecule details ›
Chain: A
Length: 234 amino acids
Theoretical weight: 26.64 KDa
Source organism: synthetic construct
Expression system: Escherichia coli

Ligands and Environments

1 bound ligand:
Ligand 12P 1 x 12P
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: P212121
Unit cell:
a: 34.549Å b: 60.875Å c: 77.949Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.25 0.248 0.277
Expression system: Escherichia coli

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