5bvn

X-ray diffraction
2.21Å resolution

Fragment-based discovery of potent and selective DDR1/2 inhibitors

Released:
Model geometry
Fit model/data

Function and Biology Details

Structure analysis Details

Assembly composition:
monomeric (preferred)
PDBe Complex ID:
PDB-CPX-170636 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Epithelial discoidin domain-containing receptor 1 Chain: A
Molecule details ›
Chain: A
Length: 324 amino acids
Theoretical weight: 36.44 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q08345 (Residues: 595-913; Coverage: 36%)
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:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E SUPERBRIGHT
Spacegroup: P212121
Unit cell:
a: 61.04Å b: 78.497Å c: 74.499Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.256 0.252 0.328
Expression system: Spodoptera frugiperda