› 5x5o

X-ray diffraction
1.87Å resolution

Crystal structure of ZAK in complex with compound D2829

Released:
DOI: 10.2210/pdb5x5o/pdb
PDB entry 5x5o coloured by chain, front view.
PDB entry 5x5o coloured by chain, side view.
PDB entry 5x5o coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure Based Design of N-(3-((1H-Pyrazolo[3,4-b]pyridin-5-yl)ethynyl)benzenesulfonamides as Selective Leucine-Zipper and Sterile-α Motif Kinase (ZAK) Inhibitors.
Chang Y, Lu X, Shibu MA, Dai YB, Luo J, Zhang Y, Li Y, Zhao P, Zhang Z, Xu Y, Tu ZC, Zhang QW, Yun CH, Huang CY, Ding K
J Med Chem 60 5927-5932 (2017)
PMID: 28586211

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-192716 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase kinase kinase 20 Chain: A
Molecule details ›
Chain: A
Length: 310 amino acids
Theoretical weight: 35.34 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9NYL2 (Residues: 5-309; Coverage: 38%)
Gene names: HCCS4, MAP3K20, MLK7, MLTK, ZAK
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 7Z0 1 x 7Z0
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: C2
Unit cell:
a: 131.057Å b: 48.501Å c: 42.625Å
α: 90° β: 105.48° γ: 90°
R-values:
R R work R free
0.192 0.19 0.226
Expression system: Spodoptera frugiperda

Quick links

Citations

1 review citation

1H-Pyrazolo[3,4-b]pyridines: Synthesis and Biomedical Applications.
Donaire-Arias et al. (2022)
7 other articles

1 mention without citation

Synthesis and X-ray study of dispiro 8-nitroquinolone analogues and their cytotoxic properties against human cervical cancer HeLa cells.
Shyamsivappan et al. (2019)