› 6nyw

X-ray diffraction
2.19Å resolution

Structure of spastin AAA domain N527C mutant in complex with 8-fluoroquinazoline-based inhibitor

Released:
DOI: 10.2210/pdb6nyw/pdb
PDB entry 6nyw coloured by chain, front view.
PDB entry 6nyw coloured by chain, side view.
PDB entry 6nyw coloured by chain, top view.
Source organism: Drosophila melanogaster
Primary publication:
Designing Allele-Specific Inhibitors of Spastin, a Microtubule-Severing AAA Protein.
Pisa R, Cupido T, Kapoor TM
J Am Chem Soc 141 5602-5606 (2019)
PMID: 30875216

Function and Biology Details

Reaction catalysed: 
n ATP + n H(2)O + a microtubule = n ADP + n phosphate + (n+1) alpha/beta tubulin heterodimers
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-184620 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Spastin Chain: B
Molecule details ›
Chain: B
Length: 314 amino acids
Theoretical weight: 34.31 KDa
Source organism: Drosophila melanogaster
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8I0P1 (Residues: 445-758; Coverage: 41%)
Gene names: CG5977, spas
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand SO4 1 x SO4
Ligand L8M 1 x L8M
Ligand MPD 2 x MPD
Ligand ACT 2 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS-II BEAMLINE 17-ID-1
Spacegroup: P65
Unit cell:
a: 78.543Å b: 78.543Å c: 96.476Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.193 0.189 0.232
Expression system: Escherichia coli

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Citations

3 review citations

AAA ATPases as therapeutic targets: Structure, functions, and small-molecule inhibitors.
Zhang et al. (2021)
2 more