› 3u3b

X-ray diffraction
1.85Å resolution

Crystal Structure of Computationally Redesigned Four-Helix Bundle

Released:
DOI: 10.2210/pdb3u3b/pdb
PDB entry 3u3b coloured by chain, front view.
PDB entry 3u3b coloured by chain, side view.
PDB entry 3u3b coloured by chain, top view.
Source organism: synthetic construct
Primary publication:
Increasing sequence diversity with flexible backbone protein design: the complete redesign of a protein hydrophobic core.
Murphy GS, Mills JL, Miley MJ, Machius M, Szyperski T, Kuhlman B
Structure 20 1086-96 (2012)
PMID: 22632833

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-164118 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
computationally designed four-helix bundle protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 113 amino acids
Theoretical weight: 13.27 KDa
Source organism: synthetic construct
Expression system: Escherichia coli BL21(DE3)
Structure domains: HPT domain

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P1
Unit cell:
a: 27.564Å b: 43.958Å c: 47.68Å
α: 63.89° β: 80.03° γ: 87.02°
R-values:
R R work R free
0.178 0.176 0.214
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

8 review citations

The coming of age of de novo protein design.
Huang et al. (2016)
7 more

5 mentions without citation

Energy functions in de novo protein design: current challenges and future prospects.
Li et al. (2013)
4 more