› 4bkj

X-ray diffraction
1.7Å resolution

Crystal structure of the human DDR1 kinase domain in complex with imatinib

Released:
DOI: 10.2210/pdb4bkj/pdb
PDB entry 4bkj coloured by chain, front view.
PDB entry 4bkj coloured by chain, side view.
PDB entry 4bkj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural mechanisms determining inhibition of the collagen receptor DDR1 by selective and multi-targeted type II kinase inhibitors.
Canning P, Tan L, Chu K, Lee SW, Gray NS, Bullock AN
J Mol Biol 426 2457-70 (2014)
PMID: 24768818

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170636 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Epithelial discoidin domain-containing receptor 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 315 amino acids
Theoretical weight: 35.75 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q08345 (Residues: 601-913; Coverage: 35%)
Gene names: CAK, DDR1, EDDR1, NEP, NTRK4, PTK3A, RTK6, TRKE
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand STI 2 x STI
Ligand EDO 19 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P212121
Unit cell:
a: 60.074Å b: 60.074Å c: 180.575Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.157 0.156 0.176
Expression system: Spodoptera frugiperda

Quick links

Citations

16 review citations

Rethinking drug design in the artificial intelligence era.
Schneider et al. (2020)
15 more

11 mentions without citation

Discoidin domain receptor 1 (DDR1) kinase as target for structure-based drug discovery.
Kothiwale et al. (2015)
10 more