› 5k0x

X-ray diffraction
2.23Å resolution

Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2541

Released:
DOI: 10.2210/pdb5k0x/pdb
PDB entry 5k0x coloured by chain, front view.
PDB entry 5k0x coloured by chain, side view.
PDB entry 5k0x coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of Macrocyclic Pyrimidines as MerTK-Specific Inhibitors.
McIver AL, Zhang W, Liu Q, Jiang X, Stashko MA, Nichols J, Miley MJ, Norris-Drouin J, Machius M, DeRyckere D, Wood E, Graham DK, Earp HS, Kireev D, Frye SV, Wang X
ChemMedChem 12 207-213 (2017)
PMID: 28032464

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171419 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase Mer Chains: A, B
Molecule details ›
Chains: A, B
Length: 313 amino acids
Theoretical weight: 35.89 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q12866 (Residues: 570-864; Coverage: 30%)
Gene names: MER, MERTK
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains: Transferase(Phosphotransferase) domain 1

Ligands and Environments

2 bound ligands:
Ligand CL 5 x CL
Ligand K0X 2 x K0X
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P21
Unit cell:
a: 51.671Å b: 91.599Å c: 69.769Å
α: 90° β: 102.37° γ: 90°
R-values:
R R work R free
0.189 0.185 0.239
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Targeting Tyro3, Axl and MerTK (TAM receptors): implications for macrophages in the tumor microenvironment.
Myers et al. (2019)
3 more

3 mentions without citation

An Intriguing Purview on the Design of Macrocyclic Inhibitors for Unexplored Protein Kinases through Their Binding Site Comparison.
Bhujbal et al. (2023)
2 more