› 6n9h

X-ray diffraction
1.04Å resolution

De novo designed homo-trimeric amantadine-binding protein

Released:
DOI: 10.2210/pdb6n9h/pdb
PDB entry 6n9h coloured by chain, front view.
PDB entry 6n9h coloured by chain, side view.
PDB entry 6n9h coloured by chain, top view.
Source organism: synthetic construct
Primary publication:
De novo design of a homo-trimeric amantadine-binding protein.
Park J, Selvaraj B, McShan AC, Boyken SE, Wei KY, Oberdorfer G, DeGrado W, Sgourakis NG, Cuneo MJ, Myles DA, Baker D
Elife 8 (2019)
PMID: 31854299

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-167104 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
amantadine-binding protein Chain: A
Molecule details ›
Chain: A
Length: 80 amino acids
Theoretical weight: 9.14 KDa
Source organism: synthetic construct
Expression system: Escherichia coli BL21(DE3)

Ligands and Environments

2 bound ligands:
Ligand 308 1 x 308
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P63
Unit cell:
a: 49.986Å b: 49.986Å c: 67.339Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.197 0.196 0.214
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

Protein Assembly by Design.
Zhu et al. (2021)
4 more

3 mentions without citation

In-silico design of a potential inhibitor of SARS-CoV-2 S protein.
Jaiswal et al. (2020)
2 more