› 6mnh

X-ray diffraction
1.73Å resolution

ULK1 Unc-51 like autophagy activating kinase in complex with inhibitor BTC

Released:
DOI: 10.2210/pdb6mnh/pdb
PDB entry 6mnh coloured by chain, front view.
PDB entry 6mnh coloured by chain, side view.
PDB entry 6mnh coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Idea2Data: Toward a New Paradigm for Drug Discovery.
Nicolaou CA, Humblet C, Hu H, Martin EM, Dorsey FC, Castle TM, Burton KI, Hu H, Hendle J, Hickey MJ, Duerksen J, Wang J, Erickson JA
ACS Med Chem Lett 10 278-286 (2019)
PMID: 30891127

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: 32.56 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O75385 (Residues: 6-290; Coverage: 27%)
Gene names: KIAA0722, ULK1
Sequence domains: Protein kinase domain

Ligands and Environments

3 bound ligands:
Ligand JVD 1 x JVD
Ligand DMS 1 x DMS
Ligand CL 2 x CL
2 modified residues:
Ligand SEP 1 x SEP
Ligand CSO 1 x CSO

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P21212
Unit cell:
a: 101.984Å b: 44.884Å c: 58.022Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.188 0.228
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Accelerating Drug Discovery: Synthesis of Complex Chemotypes via Multicomponent Reactions.
Buskes et al. (2023)
3 more

1 mention without citation

A pan-cancer assessment of alterations of the kinase domain of ULK1, an upstream regulator of autophagy.
Kumar et al. (2020)