› 5ts4

X-ray diffraction
3Å resolution

Crystal structure of a de novo designed protein with curved beta-sheet

Released:
DOI: 10.2210/pdb5ts4/pdb
PDB entry 5ts4 coloured by chain, front view.
PDB entry 5ts4 coloured by chain, side view.
PDB entry 5ts4 coloured by chain, top view.
Source organism: synthetic construct
Primary publication:
Principles for designing proteins with cavities formed by curved β sheets.
Marcos E, Basanta B, Chidyausiku TM, Tang Y, Oberdorfer G, Liu G, Swapna GV, Guan R, Silva DA, Dou J, Pereira JH, Xiao R, Sankaran B, Zwart PH, Montelione GT, Baker D
Science 355 201-206 (2017)
PMID: 28082595

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-166125 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
denovo NTF2 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 110 amino acids
Theoretical weight: 13.28 KDa
Source organism: synthetic construct
Expression system: Escherichia coli BL21(DE3)

Ligands and Environments

1 bound ligand:
Ligand PEG 1 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.1
Spacegroup: C2221
Unit cell:
a: 81.307Å b: 101.538Å c: 101.584Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.278 0.274 0.316
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

10 review citations

What has de novo protein design taught us about protein folding and biophysics?
Baker D. (2019)
9 more

1 mention without citation

Principles for designing proteins with cavities formed by curved β sheets.
Marcos et al. (2017)