› 4yj2

X-ray diffraction
2.6Å resolution

Crystal structure of tubulin bound to MI-181

Released:
DOI: 10.2210/pdb4yj2/pdb
PDB entry 4yj2 coloured by chain, front view.
PDB entry 4yj2 coloured by chain, side view.
PDB entry 4yj2 coloured by chain, top view.
Source organisms:
Primary publication:
Structures of potent anticancer compounds bound to tubulin.
McNamara DE, Senese S, Yeates TO, Torres JZ
Protein Sci 24 1164-72 (2015)
PMID: 25970265

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero hexamer (preferred)
PDBe Complex ID:
PDB-CPX-237058 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
Tubulin alpha-1B chain Chains: A, C
Molecule details ›
Chains: A, C
Length: 451 amino acids
Theoretical weight: 50.2 KDa
Source organism: Bos taurus
Tubulin beta-2B chain Chains: B, D
Molecule details ›
Chains: B, D
Length: 445 amino acids
Theoretical weight: 50 KDa
Source organism: Bos taurus
Stathmin-4 Chain: E
Molecule details ›
Chain: E
Length: 143 amino acids
Theoretical weight: 16.88 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli BL21(DE3)
Tubulin-tyrosine ligase Chain: F
Molecule details ›
Chain: F
Length: 384 amino acids
Theoretical weight: 44.38 KDa
Source organism: Gallus gallus
Expression system: Escherichia coli BL21(DE3)

Ligands and Environments

8 bound ligands:
Ligand GTP 2 x GTP
Ligand MG 4 x MG
Ligand CA 3 x CA
Ligand GOL 5 x GOL
Ligand GDP 2 x GDP
Ligand 4ED 2 x 4ED
Ligand MES 2 x MES
Ligand IMD 1 x IMD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P212121
Unit cell:
a: 104.83Å b: 157.65Å c: 181.03Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.188 0.231
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Antitubulin sulfonamides: The successful combination of an established drug class and a multifaceted target.
Vicente-Blázquez et al. (2019)
2 more

7 mentions without citation

Molecular interactions at the colchicine binding site in tubulin: An X-ray crystallography perspective.
Wang et al. (2022)
6 more