› 5ci7

X-ray diffraction
1.74Å resolution

Structure of ULK1 bound to a selective inhibitor

Released:
DOI: 10.2210/pdb5ci7/pdb
PDB entry 5ci7 coloured by chain, front view.
PDB entry 5ci7 coloured by chain, side view.
PDB entry 5ci7 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and structure of a new inhibitor scaffold of the autophagy initiating kinase ULK1.
Lazarus MB, Shokat KM
Bioorg Med Chem 23 5483-8 (2015)
PMID: 26275681

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130938 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase ULK1 Chain: A
Molecule details ›
Chain: A
Length: 287 amino acids
Theoretical weight: 32.32 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O75385 (Residues: 1-283; Coverage: 27%)
Gene names: KIAA0722, ULK1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 51W 1 x 51W
Ligand GOL 3 x GOL
1 modified residue:
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.1
Spacegroup: P42212
Unit cell:
a: 66.86Å b: 66.86Å c: 116.61Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.171 0.169 0.207
Expression system: Escherichia coli

Quick links

Citations

16 review citations

Recent insights into the function of autophagy in cancer.
Amaravadi et al. (2016)
15 more

3 mentions without citation

A Structural Approach into Drug Discovery Based on Autophagy.
Kang et al. (2021)
2 more