› 8uoi

X-ray diffraction
1.8Å resolution

Crystal structure of human NUAK1-MARK3 kinase domain chimera bound with small molecule inhibitor #65

Released:
DOI: 10.2210/pdb8uoi/pdb
PDB entry 8uoi coloured by chain, front view.
PDB entry 8uoi coloured by chain, side view.
PDB entry 8uoi coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Delker SL, Abendroth J

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151007 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
MAP/microtubule affinity-regulating kinase 3 Chain: A
Molecule details ›
Chain: A
Length: 328 amino acids
Theoretical weight: 37.9 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P27448 (Residues: 48-370; Coverage: 43%)
Gene names: CTAK1, EMK2, MARK3
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand X3Q 1 x X3Q
Ligand EDO 5 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CLSI BEAMLINE 08ID-1
Spacegroup: I222
Unit cell:
a: 84.01Å b: 87.28Å c: 106.55Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.166 0.165 0.198
Expression system: Escherichia coli

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