› 3tcp

X-ray diffraction
2.69Å resolution

Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC569

Released:
DOI: 10.2210/pdb3tcp/pdb
PDB entry 3tcp coloured by chain, front view.
PDB entry 3tcp coloured by chain, side view.
PDB entry 3tcp coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of Novel Small Molecule Mer Kinase Inhibitors for the Treatment of Pediatric Acute Lymphoblastic Leukemia.
Liu J, Yang C, Simpson C, Deryckere D, Van Deusen A, Miley MJ, Kireev D, Norris-Drouin J, Sather S, Hunter D, Korboukh VK, Patel HS, Janzen WP, Machius M, Johnson GL, Earp HS, Graham DK, Frye SV, Wang X
ACS Med Chem Lett 3 129-134 (2012)
PMID: 22662287

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 BL21(DE3)
UniProt:
  • Canonical: Q12866 (Residues: 570-864; Coverage: 30%)
Gene names: MER, MERTK
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand CKJ 2 x CKJ
Ligand CL 3 x CL
Ligand CA 3 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P21
Unit cell:
a: 51.158Å b: 91.142Å c: 68.356Å
α: 90° β: 100.35° γ: 90°
R-values:
R R work R free
0.228 0.225 0.298
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

11 review citations

The TAM family: phosphatidylserine sensing receptor tyrosine kinases gone awry in cancer.
Graham et al. (2014)
10 more

14 mentions without citation

Fluorescent kinase inhibitors as probes in cancer.
Usama et al. (2021)
13 more