› 6wxo

X-ray diffraction
1.41Å resolution

De novo TIM barrel-ferredoxin fold fusion homodimer with 2-histidine 2-glutamate centre TFD-HE

Released:
DOI: 10.2210/pdb6wxo/pdb
PDB entry 6wxo coloured by chain, front view.
PDB entry 6wxo coloured by chain, side view.
PDB entry 6wxo coloured by chain, top view.
Source organism: synthetic construct
Primary publication:
Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Caldwell SJ, Haydon IC, Piperidou N, Huang PS, Bick MJ, Sjöström HS, Hilvert D, Baker D, Zeymer C
Proc Natl Acad Sci U S A 117 30362-30369 (2020)
PMID: 33203677

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-167736 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
TFD-HE Chains: A, B
Molecule details ›
Chains: A, B
Length: 191 amino acids
Theoretical weight: 21.01 KDa
Source organism: synthetic construct
Expression system: Escherichia coli BL21(DE3)

Ligands and Environments

2 bound ligands:
Ligand GOL 1 x GOL
Ligand SO4 3 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.1
Spacegroup: P21
Unit cell:
a: 48.851Å b: 62.512Å c: 48.949Å
α: 90° β: 95.269° γ: 90°
R-values:
R R work R free
0.183 0.183 0.212
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Evolution, folding, and design of TIM barrels and related proteins.
Romero-Romero et al. (2021)
1 more

1 mention without citation

Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Caldwell et al. (2020)