› 4wsq

X-ray diffraction
1.95Å resolution

Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with small molecule inhibitor

Released:
DOI: 10.2210/pdb4wsq/pdb
PDB entry 4wsq coloured by chain, front view.
PDB entry 4wsq coloured by chain, side view.
PDB entry 4wsq coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Sorrell FJ, Szklarz M, Abdul Azeez KR, Elkins JM, Knapp S
Structure 24 401-11 (2016)
PMID: 26853940

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-173717 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
AP2-associated protein kinase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 317 amino acids
Theoretical weight: 35.74 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q2M2I8 (Residues: 29-345; Coverage: 33%)
Gene names: AAK1, KIAA1048
Sequence domains: Protein kinase domain
Structure domains: Transferase(Phosphotransferase) domain 1

Ligands and Environments

3 bound ligands:
Ligand ZN 6 x ZN
Ligand EDO 1 x EDO
Ligand KSA 2 x KSA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P212121
Unit cell:
a: 68.66Å b: 71.32Å c: 183.64Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.181 0.208
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

41 review citations

Immune response in COVID-19: addressing a pharmacological challenge by targeting pathways triggered by SARS-CoV-2.
Catanzaro et al. (2020)
40 more

9 mentions without citation

COVID-19: Drug Targets and Potential Treatments.
Gil et al. (2020)
8 more