› 5c8y

X-ray diffraction
2.59Å resolution

Crystal structure of T2R-TTL-Plinabulin complex

Released:
DOI: 10.2210/pdb5c8y/pdb
PDB entry 5c8y coloured by chain, front view.
PDB entry 5c8y coloured by chain, side view.
PDB entry 5c8y coloured by chain, top view.
Source organisms:
Primary publication:
Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery.
Wang Y, Zhang H, Gigant B, Yu Y, Wu Y, Chen X, Lai Q, Yang Z, Chen Q, Yang J
FEBS J 283 102-11 (2016)
PMID: 26462166

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero hexamer (preferred)
PDBe Complex ID:
PDB-CPX-236637 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
Tubulin alpha chain Chains: A, C
Molecule details ›
Chains: A, C
Length: 450 amino acids
Theoretical weight: 50.04 KDa
Source organism: Sus barbatus
UniProt:
  • Canonical: A0A0R4I993 (Residues: 1-450; Coverage: 100%)
Sequence domains:
Structure domains:
Tubulin beta chain Chains: B, D
Molecule details ›
Chains: B, D
Length: 445 amino acids
Theoretical weight: 50 KDa
Source organism: Sus barbatus
UniProt:
  • Canonical: A0A0R4I995 (Residues: 1-445; Coverage: 100%)
Sequence domains:
Structure domains:
Stathmin-4 Chain: E
Molecule details ›
Chain: E
Length: 143 amino acids
Theoretical weight: 16.84 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli
UniProt:
  • Canonical: P63043 (Residues: 49-189; Coverage: 75%)
Gene name: Stmn4
Sequence domains: Stathmin family
Structure domains: Methane Monooxygenase Hydroxylase; Chain G, domain 1
Uncharacterized protein Chain: F
Molecule details ›
Chain: F
Length: 384 amino acids
Theoretical weight: 44.38 KDa
Source organism: Gallus gallus
Expression system: Escherichia coli
Structure domains:

Ligands and Environments

7 bound ligands:
Ligand GTP 2 x GTP
Ligand MG 3 x MG
Ligand CA 2 x CA
Ligand GDP 2 x GDP
Ligand MES 1 x MES
Ligand PN6 2 x PN6
Ligand ACP 1 x ACP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P212121
Unit cell:
a: 105.06Å b: 158.444Å c: 181.825Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.224 0.222 0.271
Expression system: Escherichia coli

Quick links

Citations

8 review citations

Non-kinase targets of protein kinase inhibitors.
Munoz L. (2017)
7 more

15 mentions without citation

Bioactive pyrrole-based compounds with target selectivity.
Li Petri et al. (2020)
14 more