› 5if6

X-ray diffraction
2.5Å resolution

Structure of a computationally designed 17-OHP binder

Released:
DOI: 10.2210/pdb5if6/pdb
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PDB entry 5if6 coloured by chain, front view.
PDB entry 5if6 coloured by chain, side view.
PDB entry 5if6 coloured by chain, top view.
Source organism: synthetic construct
Primary publication:
Sampling and energy evaluation challenges in ligand binding protein design.
Dou J, Doyle L, Jr Greisen P, Schena A, Park H, Johnsson K, Stoddard BL, Baker D
OpenAccess logo Protein Sci 26 2426-2437 (2017)
PMID: 28980354

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-165801 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
OHP9_1c Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 134 amino acids
Theoretical weight: 14.51 KDa
Source organism: synthetic construct
Expression system: Escherichia coli
Structure domains: Nuclear Transport Factor 2; Chain: A,

Ligands and Environments

2 bound ligands:
Ligand 3QZ 6 x 3QZ
Ligand NA 3 x NA
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P212121
Unit cell:
a: 80.02Å b: 100.787Å c: 118.154Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.215 0.213 0.244
Expression system: Escherichia coli

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Citations

3 review citations

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

1 mention without citation

Sampling and energy evaluation challenges in ligand binding protein design.
Dou et al. (2017)

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