› 7ars

X-ray diffraction
1.15Å resolution

The de novo designed hybrid alpha/beta-miniprotein (with Se-Methionine)

Released:
DOI: 10.2210/pdb7ars/pdb
PDB entry 7ars coloured by chain, front view.
PDB entry 7ars coloured by chain, side view.
PDB entry 7ars coloured by chain, top view.
Source organism: synthetic construct
Primary publication:
A computationally designed β-amino acid-containing miniprotein.
Bejger M, Fortuna P, Drewniak-Świtalska M, Plewka J, Rypniewski W, Berlicki Ł
Chem Commun (Camb) 57 6015-6018 (2021)
PMID: 34032224

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-168005 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
alpha/beta-peptide Chains: A, B
Molecule details ›
Chains: A, B
Length: 35 amino acids
Theoretical weight: 4.15 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand TFA 1 x TFA
Ligand MG 1 x MG
1 modified residue:
Ligand MSE 2 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Spacegroup: C2
Unit cell:
a: 51.089Å b: 35.481Å c: 41.919Å
α: 90° β: 111.24° γ: 90°
R-values:
R R work R free
0.176 0.174 0.22
Expression system: Not provided

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Citations

1 citations in other articles

Chemical Shifts of Artificial Monomers Used to Construct Heterogeneous-Backbone Protein Mimetics in Random Coil and Folded States.
Rao et al. (2023)

2 mentions without citation

Design and Engineering of Miniproteins.
Ożga et al. (2022)
1 more