› 3v1f

X-ray diffraction
1.15Å resolution

Crystal structure of de novo designed MID1-zinc H35E mutant

Released:
DOI: 10.2210/pdb3v1f/pdb
PDB entry 3v1f coloured by chain, front view.
PDB entry 3v1f coloured by chain, side view.
PDB entry 3v1f coloured by chain, top view.
Source organism: synthetic construct
Primary publication:
Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
Der BS, Machius M, Miley MJ, Mills JL, Szyperski T, Kuhlman B
J Am Chem Soc 134 375-85 (2012)
PMID: 22092237

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-164145 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Computational design, MID1-zinc H35E mutant Chains: A, B
Molecule details ›
Chains: A, B
Length: 48 amino acids
Theoretical weight: 5.49 KDa
Source organism: synthetic construct
Expression system: Escherichia coli BL21
Structure domains: Rabenosyn, Rab binding domain

Ligands and Environments

3 bound ligands:
Ligand ZN 2 x ZN
Ligand EDO 1 x EDO
Ligand ACT 1 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P212121
Unit cell:
a: 37.241Å b: 46.528Å c: 62.277Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.162 0.161 0.186
Expression system: Escherichia coli BL21

Quick links

Citations

22 review citations

Protein design: toward functional metalloenzymes.
Yu et al. (2014)
21 more

4 mentions without citation

De novo protein design, a retrospective.
Korendovych et al. (2020)
3 more