› 6s73

X-ray diffraction
3.5Å resolution

Crystal structure of Nek7 SRS mutant bound to compound 51

Released:
DOI: 10.2210/pdb6s73/pdb
PDB entry 6s73 coloured by chain, front view.
PDB entry 6s73 coloured by chain, side view.
PDB entry 6s73 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine.
Byrne MJ, Nasir N, Basmadjian C, Bhatia C, Cunnison RF, Carr KH, Mas-Droux C, Yeoh S, Cano C, Bayliss R
Biochem J 477 1525-1539 (2020)
PMID: 32242624

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-186217 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase Nek7 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 310 amino acids
Theoretical weight: 35.71 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8TDX7 (Residues: 1-302; Coverage: 100%)
Gene name: NEK7
Sequence domains: Protein kinase domain

Ligands and Environments

1 bound ligand:
Ligand F9N 3 x F9N
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P21
Unit cell:
a: 49.42Å b: 169.082Å c: 83.73Å
α: 90° β: 92.81° γ: 90°
R-values:
R R work R free
0.237 0.235 0.271
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Structural Mechanisms of NLRP3 Inflammasome Assembly and Activation.
Fu et al. (2023)
4 more

3 mentions without citation

ProteinsPlus: a comprehensive collection of web-based molecular modeling tools.
Schöning-Stierand et al. (2022)
2 more