› 7aay

X-ray diffraction
1.87Å resolution

Crystal structure of MerTK kinase domain in complex with Merestinib

Released:
DOI: 10.2210/pdb7aay/pdb
PDB entry 7aay coloured by chain, front view.
PDB entry 7aay coloured by chain, side view.
PDB entry 7aay coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Pflug A, Schimpl M, Nissink JWM, Overman RC, Rawlins PB, Truman C, Underwood E, Warwicker J, Winter-Holt J, McCoull W
OpenAccess logo Biochem J 477 4443-4452 (2020)
PMID: 33119085

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 Chain: A
Molecule details ›
Chain: A
Length: 294 amino acids
Theoretical weight: 33.84 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q12866 (Residues: 571-864; Coverage: 30%)
Gene names: MER, MERTK
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

2 bound ligands:
Ligand L1X 1 x L1X
Ligand CL 3 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: C2221
Unit cell:
a: 93.119Å b: 130.983Å c: 54.192Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.197 0.195 0.224
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 mentions without citation

BMS794833 inhibits macrophage efferocytosis by directly binding to MERTK and inhibiting its activity.
Bae et al. (2022)
2 more