Function and Biology Details
Biochemical function:
Biological process:
- not assigned
Cellular component:
- not assigned
Structure analysis Details
Assembly composition:
monomeric (preferred)
Assembly name:
De novo designed diiron protein (preferred)
PDBe Complex ID:
PDB-CPX-162736 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ligands and Environments
1 bound ligand:
No modified residues
Experiments and Validation Details
Refinement method:
1. Step: Classical Molecular dynamics simulation starting from NMR-structure, using non-bonded model for metal-site.
2. step: QM/MM MD for relaxation of local frustrations at the metal site.
Expression system: Escherichia coli
