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Structure paper

TitleRationally seeded computational protein design of ɑ-helical barrels.
Journal, issue, pagesNat. Chem. Biol., Year 2024
Publish dateAug 22, 2023 (structure data deposition date)
AuthorsAlbanese, K.I. / Petrenas, R. / Pirro, F. / Naudin, E.A. / Borucu, U. / Dawson, W.M. / Scott, D.A. / Leggett, G.J. / Weiner, O.D. / Oliver, T.A.A. / Woolfson, D.N.
External linksNat. Chem. Biol. / PubMed:38902458
MethodsX-ray diffraction
Resolution1.4 - 2.8 Å
Structure data

PDB-8qaa:
X-ray crystal structure of a de novo designed antiparallel coiled-coil 6-helix bundle with 4 heptad repeats, antiparallel 6-helix bundle-ALIA
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8qab:
X-ray crystal structure of a de novo designed antiparallel coiled-coil hexameric alpha-helical barrel with 4 heptad repeats, apCCHex
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-8qac:
X-ray crystal structure of a de novo designed antiparallel coiled-coil 8-helix bundle with 4 heptad repeats, antiparallel 8-helix bundle-GLIA
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-8qad:
X-ray crystal structure of a de novo designed single-chain antiparallel 6-helix coiled-coil alpha-helical barrel, sc-apCC-6-LLIA
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-8qae:
X-ray crystal structure of a de novo designed single-chain antiparallel 6-helix alpha-helical barrel, sc-apCC-6-SLLA
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-8qaf:
X-ray crystal structure of a de novo designed single-chain antiparallel 8-helix coiled-coil alpha-helical barrel, sc-apCC-8
Method: X-RAY DIFFRACTION / Resolution: 2.0 Å

PDB-8qag:
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 6 inner helices, sc-CC-6-95
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-8qah:
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 8 inner helices, sc-CC-8-58
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-8qai:
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 7 inner helices, sc-CC-7-LI
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-8qkd:
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 5 inner helices, sc-CC-5-24
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-HOH:
WATER


ChemComp, No image

ChemComp-P8R:
Unknown entry

ChemComp-12P:
DODECAETHYLENE GLYCOL / precipitant*YM


ChemComp, No image

ChemComp-P5R:
Unknown entry

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

Source
  • synthetic construct (others)
KeywordsDE NOVO PROTEIN / COILED COIL / 6-HELIX BUNDLE / DE NOVO PROTEIN DESIGN / PEPTIDE ASSEMBLY / alpha-helical barrel / 8-HELIX BUNDLE / 8-helix anti-parallel alpha-helical barrel

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