› 6tms

X-ray diffraction
2.7Å resolution

Crystal structure of a de novo designed hexameric helical-bundle protein

Released:
DOI: 10.2210/pdb6tms/pdb
PDB entry 6tms coloured by chain, front view.
PDB entry 6tms coloured by chain, side view.
PDB entry 6tms coloured by chain, top view.
Source organism: synthetic construct
Primary publication:
Computational design of transmembrane pores.
Xu C, Lu P, Gamal El-Din TM, Pei XY, Johnson MC, Uyeda A, Bick MJ, Xu Q, Jiang D, Bai H, Reggiano G, Hsia Y, Brunette TJ, Dou J, Ma D, Lynch EM, Boyken SE, Huang PS, Stewart L, DiMaio F, Kollman JM, Luisi BF, Matsuura T, Catterall WA, Baker D
OpenAccess logo Nature 585 129-134 (2020)
PMID: 32848250

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
hetero hexamer
hetero octamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-167526 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
a novel designed pore protein Chains: A, B, C, D, E, F, H, I, J, K
Molecule details ›
Chains: A, B, C, D, E, F, H, I, J, K
Length: 69 amino acids
Theoretical weight: 7.93 KDa
Source organism: synthetic construct
Expression system: Escherichia coli BL21(DE3)
a novel designed pore protein Chains: G, L
Molecule details ›
Chains: G, L
Length: 69 amino acids
Theoretical weight: 7.9 KDa
Source organism: synthetic construct
Expression system: Escherichia coli BL21(DE3)
affinity purification tag Chains: Q, R
Molecule details ›
Chains: Q, R
Length: 16 amino acids
Theoretical weight: 1.87 KDa
Source organism: synthetic construct

Ligands and Environments

1 bound ligand:
Ligand SO4 5 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: OXFORD DIFFRACTION NOVA
Spacegroup: P1
Unit cell:
a: 45.88Å b: 54.33Å c: 79.333Å
α: 89.8° β: 90.08° γ: 89.77°
R-values:
R R work R free
0.296 0.288 0.299
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

19 review citations

Recent advances in de novo protein design: Principles, methods, and applications.
Pan et al. (2021)
18 more

9 mentions without citation

Protein Design: From the Aspect of Water Solubility and Stability.
Qing et al. (2022)
8 more