› 4w9x

X-ray diffraction
2.14Å resolution

Crystal Structure of BMP-2-inducible kinase in complex with baricitinib

Released:
DOI: 10.2210/pdb4w9x/pdb
PDB entry 4w9x coloured by chain, front view.
PDB entry 4w9x coloured by chain, side view.
PDB entry 4w9x 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-192596 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
BMP-2-inducible protein kinase Chain: A
Molecule details ›
Chain: A
Length: 310 amino acids
Theoretical weight: 34.79 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9NSY1 (Residues: 38-345; Coverage: 27%)
Gene names: BIKE, BMP2K, HRIHFB2017
Sequence domains: Protein kinase domain
Structure domains: Transferase(Phosphotransferase) domain 1

Ligands and Environments

2 bound ligands:
Ligand EDO 2 x EDO
Ligand 3JW 1 x 3JW
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: I222
Unit cell:
a: 42.31Å b: 111.41Å c: 163.8Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.187 0.229
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

42 review citations

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Favalli et al. (2020)
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8 mentions without citation

A Comprehensive Overview of Globally Approved JAK Inhibitors.
Shawky et al. (2022)
7 more