› 6tde

X-ray diffraction
2.29Å resolution

Tubulin-inhibitor complex

Released:
DOI: 10.2210/pdb6tde/pdb
Model geometry
Fit model/data
PDB entry 6tde coloured by chain, front view.
PDB entry 6tde coloured by chain, side view.
PDB entry 6tde coloured by chain, top view.
Source organisms:
Primary publication:
Discovery of dihydrofuranoallocolchicinoids - Highly potent antimitotic agents with low acute toxicity.
Shchegravina ES, Svirshchevskaya EV, Combes S, Allegro D, Barbier P, Gigant B, Varela PF, Gavryushin AE, Kobanova DA, Shchekotikhin AE, Fedorov AY
Eur J Med Chem 207 112724 (2020)
PMID: 32827941

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero pentamer (preferred)
PDBe Complex ID:
PDB-CPX-112169 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Tubulin alpha chain Chains: A, C
Molecule details ›
Chains: A, C
Length: 451 amino acids
Theoretical weight: 50.2 KDa
Source organism: Ovis aries
UniProt:
  • Canonical: D0VWZ0 (Residues: 1-451; Coverage: 100%)
Sequence domains:
Tubulin beta chain Chains: B, D
Molecule details ›
Chains: B, D
Length: 445 amino acids
Theoretical weight: 50 KDa
Source organism: Ovis aries
UniProt:
  • Canonical: D0VWY9 (Residues: 1-445; Coverage: 100%)
Sequence domains:
Stathmin-4 Chain: E

Ligands and Environments

5 bound ligands:
Ligand SO4 9 x SO4
Ligand GTP 2 x GTP
Ligand MG 2 x MG
Ligand GDP 2 x GDP
Ligand N3Z 2 x N3Z
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P212121
Unit cell:
a: 64.477Å b: 128.142Å c: 251.117Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.198 0.232
Expression system: Escherichia coli

Quick links

Citations

6 citation in other articles

Solasodine, Isolated from Solanum sisymbriifolium Fruits, Has a Potent Anti-Tumor Activity Against Pancreatic Cancer.
Fan et al. (2021)
5 more