› 5i3r

X-ray diffraction
2.4Å resolution

Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor

Released:
DOI: 10.2210/pdb5i3r/pdb
PDB entry 5i3r coloured by chain, front view.
PDB entry 5i3r coloured by chain, side view.
PDB entry 5i3r coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Counago RM, Sorrell FJ, Krojer T, Savitsky P, Elkins JM, Axtman A, Drewry D, Wells C, Zhang C, Zuercher W, Willson TM, Arrowsmith CH, Edwards AM, Bountra C, Arruda P, Gileadi O, Structural Genomics Consortium (SGC)

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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 302 amino acids
Theoretical weight: 34.01 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9NSY1 (Residues: 42-343; Coverage: 26%)
Gene names: BIKE, BMP2K, HRIHFB2017
Sequence domains: Protein kinase domain
Structure domains: Transferase(Phosphotransferase) domain 1

Ligands and Environments

2 bound ligands:
Ligand IDK 2 x IDK
Ligand PO4 2 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P43212
Unit cell:
a: 78.433Å b: 78.433Å c: 255.221Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.185 0.231
Expression system: Escherichia coli BL21(DE3)

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