› 3vw6

X-ray diffraction
2.4Å resolution

Crystal structure of human apoptosis signal-regulating kinase 1 (ASK1) with imidazopyridine inhibitor

Released:
DOI: 10.2210/pdb3vw6/pdb
PDB entry 3vw6 coloured by chain, front view.
PDB entry 3vw6 coloured by chain, side view.
PDB entry 3vw6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design and biological evaluation of imidazo[1,2-a]pyridines as novel and potent ASK1 inhibitors.
Terao Y, Suzuki H, Yoshikawa M, Yashiro H, Takekawa S, Fujitani Y, Okada K, Inoue Y, Yamamoto Y, Nakagawa H, Yao S, Kawamoto T, Uchikawa O
Bioorg Med Chem Lett 22 7326-9 (2012)
PMID: 23147077

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-189243 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase kinase kinase 5 Chains: A, B
Molecule details ›
Chains: A, B
Length: 269 amino acids
Theoretical weight: 30.3 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q99683 (Residues: 671-939; Coverage: 20%)
Gene names: ASK1, MAP3K5, MAPKKK5, MEKK5
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand IM6 2 x IM6
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P6522
Unit cell:
a: 78.032Å b: 78.032Å c: 425.295Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.215 0.213 0.252
Expression system: Escherichia coli

Quick links

Citations

4 review citations

ASK1 inhibition: a therapeutic strategy with multi-system benefits.
Ogier et al. (2020)
3 more

5 mentions without citation

Prediction Methods of Herbal Compounds in Chinese Medicinal Herbs.
Han et al. (2018)
4 more