PDBe 4b9d

X-ray diffraction
1.9Å resolution

Crystal Structure of Human NIMA-related Kinase 1 (NEK1) with inhibitor.

Released:
Source organism: Homo sapiens
Entry authors: Elkins JM, Hanchuk TDM, Lovato DV, Basei FL, Meirelles GV, Kobarg J, Szklarz M, Vollmar M, Mahajan P, Rellos P, Zhang Y, Krojer T, Pike ACW, Canning P, Von Delft F, Raynor J, Bountra C, Arrowsmith C, Edwards A, Knapp S

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase Nek1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 350 amino acids
Theoretical weight: 39.91 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q96PY6 (Residues: 1-328; Coverage: 26%)
Gene names: KIAA1901, NEK1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: C2221
Unit cell:
a: 90.36Å b: 93.66Å c: 164.96Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.195 0.222
Expression system: Escherichia coli BL21(DE3)