› 7alr

X-ray diffraction
1.93Å resolution

Crystal structure of TD1-gatorbulin1 complex

Released:
DOI: 10.2210/pdb7alr/pdb
PDB entry 7alr coloured by chain, front view.
PDB entry 7alr coloured by chain, side view.
PDB entry 7alr coloured by chain, top view.
Source organisms:
Primary publication:
Gatorbulin-1, a distinct cyclodepsipeptide chemotype, targets a seventh tubulin pharmacological site.
Matthew S, Chen QY, Ratnayake R, Fermaintt CS, Lucena-Agell D, Bonato F, Prota AE, Lim ST, Wang X, Díaz JF, Risinger AL, Paul VJ, Oliva MÁ, Luesch H
Proc Natl Acad Sci U S A 118 (2021)
PMID: 33619102

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-160572 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Tubulin alpha-1B chain Chain: A
Molecule details ›
Chain: A
Length: 451 amino acids
Theoretical weight: 50.2 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P81947 (Residues: 1-451; Coverage: 100%)
Sequence domains:
Tubulin beta-3 chain Chain: B
Molecule details ›
Chain: B
Length: 450 amino acids
Theoretical weight: 50.48 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: Q2T9S0 (Residues: 1-450; Coverage: 100%)
Gene name: TUBB3
Sequence domains:
Designed Ankyrin Repeat Protein (DARPIN) D1 Chain: F
Molecule details ›
Chain: F
Length: 180 amino acids
Theoretical weight: 19.22 KDa
Source organism: synthetic construct
Expression system: Escherichia coli

Ligands and Environments

7 bound ligands:
Ligand GLY 1 x GLY
Ligand GTP 1 x GTP
Ligand MG 1 x MG
Ligand RQK 1 x RQK
Ligand SO4 2 x SO4
Ligand GDP 1 x GDP
Ligand GOL 3 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALBA BEAMLINE XALOC
Spacegroup: P21
Unit cell:
a: 73.462Å b: 91.292Å c: 82.97Å
α: 90° β: 97.44° γ: 90°
R-values:
R R work R free
0.17 0.168 0.204
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Microtubule Targeting Agents in Disease: Classic Drugs, Novel Roles.
Wordeman et al. (2021)
5 more

2 mentions without citation

Computational Approaches to the Rational Design of Tubulin-Targeting Agents.
Pérez-Peña et al. (2023)
1 more