› 5vo1

X-ray diffraction
2.45Å resolution

DLK in complex with compound 10 (5-(1-isopropyl-5-(3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine)

Released:
DOI: 10.2210/pdb5vo1/pdb
PDB entry 5vo1 coloured by chain, front view.
PDB entry 5vo1 coloured by chain, side view.
PDB entry 5vo1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease.
Patel S, Meilandt WJ, Erickson RI, Chen J, Deshmukh G, Estrada AA, Fuji RN, Gibbons P, Gustafson A, Harris SF, Imperio J, Liu W, Liu X, Liu Y, Lyssikatos JP, Ma C, Yin J, Lewcock JW, Siu M
J Med Chem 60 8083-8102 (2017)
PMID: 28929759

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-171415 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase kinase kinase 12 Chain: A
Molecule details ›
Chain: A
Length: 300 amino acids
Theoretical weight: 34.02 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: Q12852 (Residues: 115-402; Coverage: 34%)
Gene names: MAP3K12, ZPK
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 9FS 1 x 9FS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P21
Unit cell:
a: 57.284Å b: 39.823Å c: 61.702Å
α: 90° β: 105.3° γ: 90°
R-values:
R R work R free
0.17 0.166 0.243
Expression system: unidentified baculovirus

Quick links

Citations

5 review citations

An axonal stress response pathway: degenerative and regenerative signaling by DLK.
Asghari Adib et al. (2018)
4 more