› 6o0i

Solution NMR

NMR ensemble of computationally designed protein XAA

Released:
DOI: 10.2210/pdb6o0i/pdb
PDB entry 6o0i coloured by chain, ensemble of 10 models, front view.
PDB entry 6o0i coloured by chain, ensemble of 10 models, side view.
PDB entry 6o0i coloured by chain, ensemble of 10 models, top view.
Source organism: synthetic construct
Primary publication:
Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Wei KY, Moschidi D, Bick MJ, Nerli S, McShan AC, Carter LP, Huang PS, Fletcher DA, Sgourakis NG, Boyken SE, Baker D
OpenAccess logo Proc Natl Acad Sci U S A 117 7208-7215 (2020)
PMID: 32188784

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-167175 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Design construct XAA Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 98 amino acids
Theoretical weight: 11.09 KDa
Source organism: synthetic construct
Expression system: Escherichia coli

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
Chemical shift assignment: 15%
Refinement method: simulated annealing
Expression system: Escherichia coli

Quick links

Citations

10 review citations

Recent advances in de novo protein design: Principles, methods, and applications.
Pan et al. (2021)
9 more

1 mention without citation

Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Wei et al. (2020)