› 8sji

X-ray diffraction
1.5Å resolution

Apo Structure of Computationally Designed Homotrimer TP1

Released:
DOI: 10.2210/pdb8sji/pdb
PDB entry 8sji coloured by chain, front view.
PDB entry 8sji coloured by chain, side view.
PDB entry 8sji coloured by chain, top view.
Source organism: synthetic construct
Primary publication:
Atomically Accurate Design of Metalloproteins with Predefined Coordination Geometries.
Hoffnagle AM, Tezcan FA
J Am Chem Soc (2023)
PMID: 37352018

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-220153 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Topoisomerase 1 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 114 amino acids
Theoretical weight: 12.49 KDa
Source organism: synthetic construct
Expression system: Escherichia coli BL21(DE3)

Ligands and Environments

2 bound ligands:
Ligand CA 4 x CA
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: C2
Unit cell:
a: 95.06Å b: 77.43Å c: 47.44Å
α: 90° β: 106.584° γ: 90°
R-values:
R R work R free
0.17 0.168 0.206
Expression system: Escherichia coli BL21(DE3)

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Citations

1 mention without citation

Atomically Accurate Design of Metalloproteins with Predefined Coordination Geometries.
Hoffnagle et al. (2023)