› 6w90

X-ray diffraction
1.5Å resolution

De novo designed NTF2 fold protein NT-9

Released:
DOI: 10.2210/pdb6w90/pdb
PDB 6w90 coloured by chain and viewed from the front.
PDB 6w90 coloured by chain and viewed from the side.
PDB 6w90 coloured by chain and viewed from the top.
Source organism: synthetic construct
Primary publication:
Expanding the space of protein geometries by computational design of de novo fold families.
Pan X, Thompson MC, Zhang Y, Liu L, Fraser JS, Kelly MJS, Kortemme T
Science 369 1132-1136 (2020)
PMID: 32855341

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NTF2 fold protein loop-helix-loop design NT-9 Chain: A
Molecule details ›
Chain: A
Length: 131 amino acids
Theoretical weight: 15.78 KDa
Source organism: synthetic construct
Expression system: Escherichia coli

Ligands and Environments

1 bound ligand:
Ligand 3PE 1 x 3PE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P212121
Unit cell:
a: 33.5Å b: 51.99Å c: 66.41Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.186 0.21
Expression system: Escherichia coli

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