› 6ypi

X-ray diffraction
1.48Å resolution

Structure of the engineered metallo-Diels-Alderase DA7 W16G,K58Q,L77R,T78R

Released:
DOI: 10.2210/pdb6ypi/pdb
PDB entry 6ypi coloured by chain, front view.
PDB entry 6ypi coloured by chain, side view.
PDB entry 6ypi coloured by chain, top view.
Source organism: synthetic construct
Primary publication:
Efficient Lewis acid catalysis of an abiological reaction in a de novo protein scaffold.
Basler S, Studer S, Zou Y, Mori T, Ota Y, Camus A, Bunzel HA, Helgeson RC, Houk KN, Jiménez-Osés G, Hilvert D
Nat Chem 13 231-235 (2021)
PMID: 33526894

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-167893 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
DA7 W16G,K58Q,L77R,T78R Chain: A
Molecule details ›
Chain: A
Length: 97 amino acids
Theoretical weight: 10.88 KDa
Source organism: synthetic construct
Expression system: Escherichia coli

Ligands and Environments

4 bound ligands:
Ligand ZN 1 x ZN
Ligand PEG 1 x PEG
Ligand DMX 1 x DMX
Ligand BEZ 1 x BEZ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: C2
Unit cell:
a: 62.237Å b: 35.015Å c: 43.229Å
α: 90° β: 109.81° γ: 90°
R-values:
R R work R free
0.208 0.207 0.23
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Protein Assembly by Design.
Zhu et al. (2021)
4 more